# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 105.53 6.43 12.74 20.51 117.54 -159.99 -96.20 130.58 99.92 0.07 0.01 99.86 0.08 0.01 0.00 0.00 0.00 0.03 0.01 1 P C C 84.75 5.41 10.15 17.30 113.59 -114.80 -69.73 149.76 87.76 2.66 9.57 83.23 1.05 4.35 6.87 1.81 0.00 1.45 1.24 2 K C C 141.16 3.61 9.81 15.21 112.61 -126.59 -88.60 132.34 76.17 7.47 16.37 54.83 13.62 7.20 12.56 4.38 0.02 3.90 3.49 3 K C C 137.74 3.36 10.80 15.80 112.66 -118.13 -85.05 133.73 67.04 9.19 23.77 48.52 11.63 6.42 17.89 6.54 0.03 5.72 3.23 4 R C C 139.29 5.87 11.12 18.38 103.08 -118.42 -77.71 -9.50 58.68 8.81 32.51 40.65 9.94 8.10 23.52 9.13 0.05 5.51 3.10 5 A C C 62.46 6.37 12.38 20.11 108.14 58.97 -80.14 110.69 57.45 7.22 35.33 32.87 11.90 13.44 23.27 11.43 0.12 4.34 2.63 6 S C C 57.69 8.15 12.36 21.63 105.68 -117.05 -89.97 61.18 63.59 6.10 30.31 30.03 14.35 20.41 16.98 12.03 0.15 3.16 2.88 7 N C T 96.04 5.79 14.78 21.63 99.55 76.10 -81.86 16.24 76.55 3.50 19.95 23.85 19.53 34.08 9.30 9.57 0.06 1.68 1.92 8 G C T 36.25 9.09 13.09 22.87 102.96 -99.50 76.37 3.17 84.12 3.50 12.38 26.35 26.20 32.75 3.32 7.98 0.01 1.77 1.60 9 R C C 132.11 5.65 15.23 21.94 110.21 117.00 -90.67 115.92 72.09 16.26 11.65 38.73 22.27 11.07 4.78 6.23 0.10 6.15 10.67 10 N C C 61.53 10.03 10.49 21.57 112.01 78.84 -91.32 120.93 81.62 10.25 8.13 60.13 11.93 8.64 2.98 5.25 0.01 5.22 5.84 11 K C T 146.93 3.34 12.95 17.86 97.45 -158.33 -76.68 -18.22 78.16 5.93 15.91 23.27 24.34 31.47 3.09 11.87 0.04 2.94 3.00 12 K C T 151.34 1.89 12.69 15.18 103.28 53.86 -90.89 24.66 82.51 3.60 13.90 8.28 24.39 49.56 1.77 12.05 0.03 1.94 1.98 13 G C T 46.99 4.55 11.78 17.77 106.07 -79.03 84.09 9.09 87.15 2.46 10.39 16.48 30.62 39.21 0.92 10.29 0.00 1.24 1.23 14 R C T 147.50 4.20 12.58 18.14 104.64 105.45 -87.60 31.67 86.14 5.60 8.26 27.24 25.15 33.57 1.03 7.50 0.01 2.61 2.90 15 G C S 41.04 7.02 13.53 21.56 102.21 -61.16 81.29 -3.04 87.91 6.59 5.49 26.81 31.33 29.84 0.63 5.17 0.01 3.37 2.85 16 H C C 104.48 7.08 15.14 23.24 107.91 105.62 -88.25 93.63 84.04 12.94 3.02 47.44 27.67 8.79 0.64 2.60 0.00 5.15 7.70 17 V C C 54.27 13.07 13.12 26.68 117.66 109.12 -99.08 132.84 84.30 15.03 0.67 65.22 17.04 1.62 0.24 0.45 0.00 5.73 9.71 18 K C C 118.67 5.50 19.77 26.15 118.37 -137.53 -97.25 139.02 93.14 6.80 0.06 79.82 13.32 0.28 0.02 0.05 0.00 5.39 1.12 19 P C C 54.72 12.79 17.16 30.12 116.32 -101.85 -69.43 148.52 85.93 13.98 0.08 80.29 5.07 0.28 0.01 0.08 0.00 13.20 1.06 20 V E E 25.00 17.14 16.82 34.47 122.43 -150.52 -111.88 137.90 13.71 86.27 0.02 12.41 0.91 0.04 0.01 0.02 0.00 82.78 3.84 21 R E E 110.56 8.11 21.92 30.51 116.65 -134.69 -96.48 131.65 5.84 94.13 0.03 5.67 0.19 0.01 0.03 0.01 0.00 79.74 14.35 22 C C C 11.68 19.85 12.21 32.71 111.23 -118.49 -74.21 129.24 68.66 31.24 0.10 69.03 0.84 0.13 0.02 0.07 0.00 27.39 2.52 23 L C T 87.46 7.56 18.54 27.10 93.67 -144.16 -68.11 -27.12 98.66 0.56 0.78 1.23 12.08 85.21 0.02 0.93 0.00 0.43 0.10 24 N C T 93.15 6.10 17.76 24.40 99.64 41.17 -88.79 -32.22 98.68 0.32 1.00 0.57 10.49 87.50 0.02 1.15 0.00 0.20 0.07 25 C C T 49.75 9.26 15.03 25.22 106.35 20.91 -113.45 -6.09 97.17 1.33 1.50 12.61 41.48 42.53 0.08 2.01 0.00 0.75 0.54 26 A C C 65.33 7.78 16.39 25.16 94.98 -128.52 62.35 7.08 98.64 1.16 0.20 57.69 30.17 10.82 0.03 0.22 0.00 0.69 0.38 27 R C C 108.58 6.39 19.84 27.36 121.64 124.42 -86.01 149.35 80.82 19.12 0.06 64.67 16.09 0.42 0.01 0.06 0.00 17.30 1.45 28 C E E 47.65 14.51 17.71 32.18 116.13 -118.09 -83.73 136.79 6.35 93.63 0.02 5.66 0.63 0.03 0.02 0.01 0.00 70.42 23.24 29 V E E 16.54 17.33 15.96 34.11 130.50 -174.20 -130.85 146.66 22.05 77.94 0.00 20.73 1.10 0.02 0.00 0.00 0.00 75.55 2.59 30 P E E 49.84 6.11 21.05 28.13 113.34 -99.96 -64.00 143.30 43.97 56.01 0.03 44.63 0.70 0.03 0.01 0.01 0.00 51.93 2.68 31 K H G 88.51 15.05 12.48 27.21 91.41 -119.09 -57.81 -36.23 32.05 0.40 67.55 1.14 2.95 27.21 3.26 65.07 0.00 0.27 0.09 32 D H G 119.21 1.41 19.11 19.86 90.56 61.22 -69.57 -17.09 31.25 0.43 68.32 0.73 2.27 28.11 4.85 63.68 0.00 0.27 0.09 33 K H G 106.27 7.06 17.30 25.31 96.58 54.31 -96.12 -2.41 27.80 1.05 71.15 2.51 3.93 21.23 7.32 64.08 0.01 0.75 0.17 34 A C C 16.44 21.07 10.86 30.94 114.75 97.48 -83.03 137.03 62.81 27.42 9.77 47.29 11.51 3.51 5.66 4.38 0.04 23.79 3.82 35 I E E 68.14 10.66 17.22 28.63 119.40 -149.96 -104.76 131.42 24.02 75.33 0.65 20.22 3.55 0.52 0.41 0.34 0.00 71.77 3.18 36 K E E 118.09 7.85 16.32 25.39 116.60 -145.00 -95.04 132.47 16.22 83.43 0.35 13.83 1.70 0.26 0.14 0.16 0.00 83.51 0.40 37 R E E 124.03 7.50 14.60 23.52 123.60 -164.70 -118.28 136.40 12.16 87.55 0.29 10.75 0.97 0.16 0.13 0.12 0.00 87.57 0.31 38 V E E 72.90 9.59 12.20 23.08 122.89 -162.33 -115.91 137.66 8.05 91.83 0.13 7.68 0.31 0.05 0.06 0.04 0.00 91.54 0.31 39 T E E 78.16 5.18 14.26 21.15 120.24 -159.63 -114.21 133.29 6.92 92.95 0.13 6.34 0.41 0.07 0.07 0.04 0.00 92.70 0.36 40 I E E 88.59 8.12 10.79 20.56 116.53 -150.47 -101.20 129.41 18.03 81.60 0.38 16.93 0.95 0.20 0.18 0.16 0.00 80.87 0.73 41 R C C 143.57 3.97 12.12 17.84 116.53 -162.01 -100.35 136.32 55.42 42.93 1.65 45.29 7.89 1.09 0.89 0.69 0.00 42.97 1.17 42 N C C 90.55 4.50 11.02 17.05 114.52 -113.86 -90.90 134.82 78.25 16.35 5.40 64.28 10.99 2.07 4.86 1.18 0.00 14.75 1.86 43 M H H 126.82 2.74 11.74 15.68 94.95 -128.15 -65.14 -33.46 13.64 0.68 85.68 7.12 2.98 4.33 82.77 2.18 0.02 0.42 0.17 44 V H H 96.20 2.25 13.51 16.05 93.71 54.73 -67.79 -38.97 7.26 0.49 92.25 3.60 1.30 2.88 89.60 2.14 0.02 0.36 0.10 45 E H H 92.06 4.70 13.55 19.61 93.74 50.59 -67.75 -38.94 4.85 0.35 94.80 2.82 0.77 1.78 91.97 2.32 0.01 0.27 0.06 46 A H H 46.11 5.01 13.55 20.33 93.14 52.83 -64.96 -40.67 3.13 0.13 96.74 1.61 0.44 1.25 95.37 1.21 0.01 0.09 0.03 47 A H H 55.18 2.71 16.12 19.13 92.39 51.22 -64.67 -40.65 3.26 0.13 96.61 1.25 0.42 1.65 95.43 1.14 0.01 0.08 0.03 48 A H H 50.73 3.83 15.03 20.03 92.43 51.24 -65.55 -40.02 4.75 0.19 95.06 1.67 0.53 2.59 93.87 1.16 0.01 0.12 0.04 49 V H H 68.18 5.55 14.32 21.30 93.02 50.38 -66.07 -40.47 5.57 0.37 94.06 2.16 0.78 2.76 92.88 1.08 0.02 0.24 0.08 50 R H H 133.56 2.82 15.61 19.02 92.67 52.60 -65.05 -40.33 9.00 0.50 90.51 3.53 1.18 4.50 88.99 1.34 0.02 0.33 0.11 51 D H H 85.15 2.25 15.36 17.66 93.41 50.11 -67.43 -38.09 14.69 0.49 84.82 5.80 1.69 7.50 82.77 1.77 0.03 0.31 0.13 52 L H H 82.08 5.00 12.79 19.22 93.11 52.72 -66.72 -39.18 10.06 0.33 89.61 4.08 1.61 4.99 84.89 4.09 0.04 0.20 0.10 53 S H H 63.39 4.71 13.03 19.10 93.16 53.46 -67.09 -35.03 13.52 0.32 86.17 3.75 1.80 8.20 81.24 4.63 0.07 0.19 0.12 54 E H H 140.54 1.48 14.10 15.50 94.29 52.24 -73.54 -24.54 22.34 0.30 77.37 3.63 2.92 15.98 73.02 4.07 0.10 0.15 0.14 55 A H H 68.36 3.82 11.30 16.44 100.35 60.23 -81.84 -7.17 45.96 1.00 53.03 10.65 9.65 26.88 48.21 3.52 0.14 0.42 0.54 56 S C C 62.73 5.62 9.83 17.04 112.32 118.81 -88.99 119.41 71.22 6.98 21.80 36.63 15.42 19.84 16.51 5.05 0.10 3.42 3.03 57 V C C 101.41 3.52 10.96 15.91 100.39 -137.56 -81.12 -19.54 72.46 9.51 18.03 29.31 25.54 18.62 11.86 5.75 0.22 5.28 3.43 58 Y C C 130.43 4.93 9.37 15.91 109.44 64.14 -95.13 89.31 71.83 10.04 18.13 38.65 20.12 13.62 11.39 6.41 0.15 5.23 4.43 59 A C T 77.67 3.29 10.80 15.61 99.96 67.88 -74.19 -17.24 57.73 3.23 39.04 19.37 13.87 25.42 15.28 22.75 0.12 1.83 1.36 60 E C T 141.43 2.00 11.61 14.30 100.67 58.30 -82.07 -13.12 54.70 3.14 42.17 12.79 12.77 29.45 16.50 25.01 0.25 1.79 1.44 61 Y C C 132.01 5.60 9.66 16.70 109.96 54.01 -102.08 78.05 51.88 9.32 38.80 24.32 13.03 16.59 15.07 22.08 0.26 5.62 3.03 62 A C C 67.75 4.84 11.27 17.68 108.57 152.66 -90.70 93.86 64.38 12.20 23.42 37.91 18.03 8.99 16.18 7.20 0.18 6.58 4.92 63 L C C 89.22 6.81 10.50 18.86 116.76 -143.29 -95.55 134.75 65.87 7.94 26.20 36.04 22.15 8.58 17.59 8.21 0.14 4.55 2.74 64 P C C 71.86 6.50 11.86 20.00 109.83 -107.00 -68.08 144.78 67.20 4.11 28.69 47.20 7.98 11.66 14.16 14.99 0.01 2.82 1.18 65 K C T 139.11 4.20 13.13 18.91 100.22 -131.84 -75.03 -13.09 56.89 6.25 36.86 21.68 14.91 21.76 14.96 20.68 0.20 4.00 1.82 66 L C C 92.31 6.76 13.28 21.19 105.81 67.03 -89.88 23.68 51.30 16.68 32.02 20.21 13.83 19.66 12.87 17.44 0.42 12.84 2.72 67 Y C E 100.35 10.69 13.52 24.82 114.51 71.05 -101.34 118.19 44.79 36.21 19.00 26.61 11.10 9.40 9.63 8.93 0.19 30.91 3.21 68 N E E 63.75 11.61 15.50 27.64 116.78 104.30 -100.02 130.45 40.31 53.46 6.24 29.44 8.29 3.31 3.75 2.47 0.01 50.81 1.92 69 K E E 94.61 10.95 18.74 29.76 118.58 -154.19 -102.97 132.17 27.86 68.59 3.55 20.79 5.32 1.76 2.24 1.22 0.00 67.27 1.39 70 L E E 40.28 16.40 18.32 34.65 119.58 -154.98 -105.79 133.86 21.95 75.41 2.64 17.57 3.15 1.19 1.77 0.86 0.00 74.70 0.77 71 H E E 51.19 15.59 21.94 37.13 121.79 -160.46 -113.23 133.51 16.33 82.06 1.61 13.70 1.88 0.72 1.14 0.57 0.00 80.98 1.01 72 Y E E 31.19 19.24 21.68 40.30 127.83 -167.48 -121.58 143.82 21.35 77.87 0.78 19.37 1.52 0.28 0.59 0.27 0.00 76.05 1.92 73 C C C 15.71 18.18 23.32 41.13 113.28 -125.85 -85.09 137.81 52.41 47.06 0.52 52.74 1.02 0.12 0.50 0.10 0.00 42.74 2.77 74 V H H 25.44 19.87 21.71 41.11 93.53 -127.50 -62.19 -36.76 5.04 0.15 94.82 1.04 0.99 3.30 93.32 1.15 0.06 0.09 0.03 75 S H H 36.31 10.96 24.27 35.64 91.89 56.08 -63.79 -41.11 1.59 0.04 98.36 0.29 0.19 1.10 97.60 0.79 0.01 0.03 0.01 76 C H H 20.78 13.82 22.00 36.41 92.22 49.33 -65.68 -41.46 0.42 0.02 99.56 0.08 0.04 0.29 98.60 0.97 0.00 0.02 0.00 77 A H H 6.45 19.66 17.80 38.07 91.80 52.13 -63.99 -42.27 0.37 0.02 99.61 0.07 0.03 0.24 99.10 0.53 0.00 0.02 0.00 78 I H H 53.82 11.92 19.06 31.27 92.55 49.56 -65.25 -41.95 0.83 0.04 99.13 0.09 0.04 0.66 98.76 0.39 0.01 0.03 0.00 79 H H H 103.62 6.92 19.22 26.78 91.67 51.41 -66.57 -33.89 4.56 0.01 95.43 0.09 0.11 4.59 94.89 0.31 0.01 0.00 0.00 80 A C T 41.30 10.12 15.57 26.97 92.71 49.85 -87.42 -3.03 84.97 0.01 15.02 0.26 0.83 82.71 15.90 0.28 0.00 0.00 0.01 81 R C T 159.71 4.69 18.20 24.23 93.07 -121.73 61.35 31.24 97.69 0.04 2.27 0.76 1.78 95.07 2.25 0.12 0.00 0.02 0.02 82 I C S 52.75 12.75 16.67 29.96 98.93 129.94 -91.11 -16.20 90.72 7.57 1.71 41.07 47.18 3.07 1.38 0.49 0.00 3.47 3.34 83 V C S 27.13 19.07 13.92 32.37 131.57 42.39 -129.79 146.75 86.56 11.44 2.00 40.10 44.43 2.90 1.22 0.87 0.01 7.97 2.50 84 R C C 125.81 6.74 21.27 28.72 118.64 -146.07 -105.33 133.50 83.86 14.60 1.54 71.62 10.34 1.59 0.99 0.74 0.00 11.75 2.97 85 V C C 50.09 16.33 13.86 29.87 116.71 -140.43 -94.99 128.86 85.18 12.66 2.16 77.85 5.67 1.49 1.31 0.92 0.00 9.28 3.48 86 R C C 101.88 8.46 14.88 24.46 120.70 -161.65 -105.20 148.64 91.88 6.01 2.11 78.45 11.26 2.07 1.21 0.90 0.00 4.04 2.07 87 S C C 49.78 5.22 14.50 21.08 117.44 -109.69 -80.96 154.92 91.88 4.26 3.86 78.40 10.57 2.64 2.62 1.25 0.00 2.14 2.38 88 R H H 144.89 5.37 11.05 18.11 93.09 -116.71 -61.85 -34.43 49.13 1.23 49.65 14.59 16.25 20.20 35.98 11.55 0.13 0.50 0.80 89 T H H 99.09 1.20 13.63 14.29 93.15 54.80 -67.10 -36.38 46.29 0.62 53.09 6.98 9.64 29.10 38.40 14.94 0.21 0.30 0.43 90 D H H 68.55 4.96 11.43 18.15 95.96 47.82 -76.47 -19.79 43.30 1.04 55.66 11.84 8.19 23.18 38.63 16.89 0.14 0.54 0.59 91 R H H 95.84 10.64 9.26 20.46 93.64 74.43 -66.54 -31.76 39.49 1.98 58.53 18.00 7.72 14.61 41.58 15.95 0.14 0.98 1.02 92 K C H 140.88 2.35 13.43 16.75 92.70 60.77 -69.91 -24.57 49.62 2.79 47.59 18.37 10.80 21.61 32.69 13.50 0.24 1.44 1.35 93 I C C 116.17 2.51 13.33 16.50 98.42 50.73 -92.54 -4.58 61.05 4.53 34.42 25.81 14.96 22.16 23.44 9.09 0.18 2.25 2.11 94 R C C 108.65 9.65 9.23 19.65 111.59 101.34 -80.81 131.12 87.94 5.16 6.91 58.80 23.58 5.24 5.10 1.75 0.00 1.82 3.71 95 T C C 92.56 3.15 13.75 18.14 117.65 -143.95 -102.95 133.48 97.57 2.11 0.31 79.46 17.66 0.44 0.22 0.10 0.00 0.87 1.25 96 P C C 74.69 7.61 10.56 19.73 117.23 -105.93 -66.22 149.64 99.50 0.28 0.22 94.36 4.83 0.38 0.09 0.08 0.00 0.12 0.16 97 P C C 74.82 6.86 10.77 19.32 114.66 -102.74 -65.42 151.55 97.23 0.38 2.39 90.55 4.27 2.66 0.77 1.32 0.00 0.16 0.28 98 Q C C 136.07 2.43 12.55 16.34 111.91 -101.01 -72.09 140.77 93.03 1.47 5.50 76.83 10.90 5.06 1.86 3.62 0.00 0.63 1.10 99 R C C 148.54 5.68 9.50 16.98 115.03 -126.52 -90.93 136.33 90.32 3.01 6.67 71.03 14.34 4.59 2.60 4.09 0.00 1.45 1.90 100 K C C 127.23 4.65 10.31 16.83 116.37 -138.27 -93.61 134.63 88.12 4.40 7.48 72.25 10.77 4.88 3.03 4.40 0.00 2.43 2.25 101 R C C 157.33 3.44 11.24 16.38 116.25 -143.66 -97.26 133.03 87.30 5.80 6.89 70.76 11.02 5.14 2.98 3.85 0.00 3.20 3.05 102 F C C 116.45 6.86 8.54 16.92 113.12 -132.95 -89.45 134.30 86.29 5.60 8.11 65.99 13.55 6.12 4.03 4.15 0.00 2.90 3.26 103 T C C 87.52 3.88 9.35 14.91 111.82 -153.34 -94.80 124.98 89.87 2.44 7.70 69.37 12.21 8.03 3.35 4.31 0.00 1.22 1.52 104 S C C 85.81 2.38 9.29 13.24 100.73 -155.19 -81.61 -7.34 80.89 1.20 17.92 33.38 17.45 30.72 4.03 13.15 0.00 0.55 0.72 105 D C T 121.04 1.30 10.05 11.95 100.93 59.28 -84.60 13.36 81.11 0.99 17.90 29.70 17.78 34.19 3.37 13.93 0.00 0.47 0.56 106 R C C 146.69 4.45 8.91 15.00 107.07 104.41 -88.00 90.95 83.71 2.13 14.16 51.00 17.34 14.82 2.68 12.03 0.00 1.16 0.97 107 K C C 148.62 2.24 11.65 15.29 113.83 127.63 -89.91 130.79 88.66 6.09 5.25 69.14 13.36 5.83 1.79 3.43 0.00 3.43 3.02 108 V C C 64.36 10.27 8.29 19.41 117.73 -140.80 -96.55 134.88 90.89 8.33 0.78 79.91 9.71 0.69 0.48 0.31 0.00 3.21 5.69 109 S C C 53.82 3.70 14.18 19.06 117.76 -130.24 -85.52 149.35 99.32 0.47 0.21 97.78 1.61 0.07 0.17 0.02 0.00 0.17 0.18 110 P H H 84.34 5.05 11.74 18.68 92.36 -117.30 -58.40 -37.72 4.11 0.02 95.87 1.23 0.42 2.31 94.27 1.75 0.00 0.01 0.01 111 Q H H 119.33 1.79 14.28 16.20 92.20 52.13 -65.32 -39.40 2.76 0.03 97.21 0.64 0.26 1.76 95.42 1.89 0.00 0.02 0.00 112 D H H 72.82 3.18 14.01 18.10 92.22 49.03 -66.12 -40.10 1.20 0.03 98.76 0.39 0.15 0.64 97.09 1.70 0.00 0.03 0.00 113 A H H 37.85 5.68 11.57 19.55 91.93 51.48 -64.27 -40.87 1.32 0.03 98.65 0.45 0.14 0.66 97.86 0.86 0.00 0.02 0.00 114 A H H 55.41 3.22 12.33 17.00 92.10 51.15 -64.74 -39.05 4.55 0.06 95.39 1.23 0.42 2.73 94.58 0.98 0.01 0.04 0.01 115 K H H 136.81 1.53 12.59 14.37 93.06 51.67 -67.40 -36.98 11.78 0.11 88.11 2.65 1.26 7.42 87.39 1.17 0.02 0.05 0.05 116 K H H 138.41 2.13 11.36 14.50 94.42 52.99 -71.52 -29.37 27.21 0.34 72.46 8.06 3.85 14.78 71.78 1.20 0.02 0.13 0.18 117 A C H 74.23 3.29 9.35 14.25 97.21 59.07 -77.65 -18.42 56.71 0.62 42.67 30.98 2.31 21.03 43.87 1.20 0.00 0.22 0.38 118 N C C 117.99 2.37 11.40 15.00 101.49 65.44 -81.09 17.65 99.84 0.05 0.11 99.33 0.20 0.34 0.09 0.01 0.00 0.03 0.01