# 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 127.30 3.71 10.89 16.47 114.57 -155.25 -97.14 125.64 99.81 0.18 0.01 99.78 0.08 0.03 0.00 0.00 0.00 0.09 0.02 1 V C C 97.83 4.62 7.89 14.36 116.31 -152.19 -97.66 132.94 87.08 7.92 5.00 84.19 1.13 2.80 1.95 2.11 0.00 5.84 1.99 2 Q C C 135.62 2.31 9.22 13.26 115.98 -154.54 -99.40 130.44 78.31 14.66 7.03 58.07 13.27 6.79 2.19 4.79 0.00 12.65 2.24 3 R C C 149.96 4.08 9.58 15.65 120.71 -164.20 -111.76 137.64 72.45 19.48 8.07 57.12 9.73 5.35 2.78 5.33 0.01 16.64 3.05 4 L C C 96.98 6.90 9.76 18.29 115.55 -134.44 -91.94 131.33 73.38 21.46 5.16 63.40 6.47 2.76 2.36 2.71 0.00 18.29 4.01 5 T C C 79.02 6.01 12.13 19.82 116.75 -164.70 -106.58 133.11 76.74 19.04 4.21 59.33 12.28 4.56 1.82 2.45 0.00 16.30 3.27 6 Y C C 127.06 7.11 11.48 20.08 118.12 -145.14 -103.91 129.64 79.52 17.37 3.11 58.50 15.96 4.81 1.25 1.99 0.00 13.70 3.79 7 R C C 137.42 6.14 11.67 19.53 118.04 -164.89 -106.41 131.40 85.40 12.99 1.61 71.14 10.69 2.97 0.62 1.02 0.00 10.41 3.15 8 R C C 143.24 5.26 11.71 18.65 116.81 -155.13 -103.38 132.76 87.67 10.82 1.51 70.89 13.28 3.06 0.57 0.97 0.00 7.79 3.44 9 R C C 142.49 5.33 11.62 18.56 115.96 -134.70 -91.89 135.77 90.31 7.72 1.97 76.71 10.63 2.69 0.73 1.22 0.00 4.87 3.15 10 L C C 92.52 7.70 10.88 19.78 107.67 -121.38 -78.63 115.93 80.54 4.36 15.10 60.11 9.95 9.23 2.19 14.22 0.00 2.67 1.62 11 S C C 75.10 4.19 13.34 18.90 101.83 122.75 -79.85 -5.09 77.03 4.06 18.91 29.82 23.42 24.36 2.29 16.49 0.01 2.33 1.30 12 Y C C 117.98 7.75 12.18 21.17 106.46 65.78 -96.05 46.38 70.60 9.43 19.97 33.20 18.84 20.11 3.22 15.98 0.04 5.27 3.34 13 N C C 65.15 10.10 10.59 21.85 110.54 115.28 -93.43 113.63 85.23 9.27 5.50 71.03 10.01 3.48 2.67 2.81 0.00 4.88 5.12 14 T C C 68.89 6.90 11.97 20.35 111.35 -171.67 -94.62 158.91 77.90 6.97 15.13 45.08 18.25 14.90 5.90 8.55 0.02 3.07 4.22 15 A C T 89.72 1.83 13.90 16.31 95.02 -95.82 -68.99 -26.15 78.06 1.51 20.43 10.09 21.09 47.75 3.85 15.49 0.01 0.79 0.94 16 S C T 60.90 5.27 13.17 19.73 99.61 49.38 -88.75 -4.08 79.28 1.98 18.74 12.91 19.71 47.15 3.28 14.88 0.01 1.09 0.97 17 N C C 79.94 10.34 12.89 23.90 98.28 -127.26 56.02 43.36 81.28 9.40 9.32 41.09 24.28 16.87 1.65 7.52 0.01 6.33 2.25 18 K C C 93.05 7.15 16.39 24.71 117.47 159.05 -93.27 137.22 72.34 26.98 0.67 60.54 8.18 1.96 0.15 0.56 0.00 27.34 1.27 19 T E E 57.96 13.27 14.09 27.60 124.07 -152.41 -113.55 139.01 15.80 84.15 0.05 14.80 0.77 0.08 0.02 0.03 0.00 83.88 0.42 20 R E E 94.59 8.41 17.68 27.33 128.37 -174.66 -128.83 147.01 1.97 98.02 0.01 1.90 0.08 0.01 0.00 0.00 0.00 97.92 0.08 21 L E E 85.42 8.84 16.03 25.95 115.82 -124.68 -88.80 132.04 1.34 98.65 0.00 1.32 0.03 0.00 0.00 0.00 0.00 98.61 0.04 22 S E E 27.73 11.67 13.65 26.82 130.86 -177.01 -128.90 154.56 2.05 97.94 0.00 1.89 0.08 0.01 0.00 0.00 0.00 97.98 0.05 23 R E E 147.73 3.89 15.31 20.69 115.58 -124.87 -98.14 129.89 7.19 92.79 0.02 6.56 0.45 0.03 0.00 0.01 0.00 92.29 0.65 24 T C C 34.04 12.24 8.59 21.57 123.11 -147.15 -90.46 162.06 91.41 8.47 0.11 90.12 1.15 0.22 0.02 0.07 0.00 7.96 0.46 25 P C T 101.27 3.08 12.04 16.49 107.33 -88.58 -62.52 136.63 88.48 1.13 10.39 1.85 6.27 78.23 0.21 12.41 0.00 0.80 0.22 26 G C T 58.48 1.57 11.92 13.70 97.11 19.46 76.07 -1.17 89.13 0.20 10.67 0.93 4.78 81.09 0.19 12.81 0.00 0.11 0.08 27 N C S 123.38 2.29 11.72 15.41 96.37 -95.57 72.90 16.86 90.18 1.11 8.71 15.66 54.60 18.83 0.44 9.41 0.00 0.63 0.43 28 R C C 118.70 4.51 11.72 18.29 118.49 136.99 -89.81 141.43 76.44 23.41 0.15 71.97 3.35 0.40 0.04 0.10 0.00 22.68 1.46 29 I E E 81.17 8.02 13.46 23.25 115.22 -129.22 -93.57 128.15 2.78 97.21 0.00 2.57 0.10 0.00 0.00 0.00 0.00 97.18 0.14 30 V E E 37.70 11.75 14.66 28.21 123.31 -169.62 -119.40 137.12 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 31 Y E E 73.42 11.29 16.80 29.51 117.31 -144.49 -102.69 129.00 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 32 L E E 44.50 12.18 17.37 30.95 118.92 -161.32 -108.57 129.04 0.87 99.12 0.00 0.82 0.02 0.00 0.00 0.00 0.00 99.13 0.03 33 Y E E 65.12 12.71 16.28 30.06 120.50 -164.65 -112.69 132.75 11.67 88.30 0.03 10.86 0.53 0.05 0.01 0.01 0.00 88.11 0.43 34 T C E 52.80 10.19 16.81 28.14 117.86 -159.46 -105.83 128.26 51.01 48.42 0.57 45.37 4.10 0.74 0.18 0.38 0.00 47.65 1.57 35 K C C 104.37 9.34 14.01 24.31 106.95 -151.00 -91.69 76.46 81.62 17.20 1.17 61.88 17.21 2.72 0.34 0.90 0.00 14.46 2.49 36 K C C 121.06 4.43 15.32 21.01 118.90 -89.52 -101.48 137.30 89.79 8.77 1.43 68.61 17.56 3.56 0.42 1.12 0.00 5.25 3.46 37 V C T 96.57 6.72 12.60 20.84 111.11 -106.93 -70.12 135.55 92.60 5.05 2.34 19.79 17.34 55.73 0.39 1.99 0.00 3.09 1.67 38 G C T 44.85 5.89 14.43 21.56 103.24 18.42 85.16 -0.64 96.00 2.68 1.32 17.29 20.18 58.59 0.16 1.30 0.00 1.88 0.59 39 K C C 130.85 3.68 17.10 22.12 119.65 113.48 -104.58 137.41 91.14 8.17 0.69 63.42 25.08 2.44 0.18 0.59 0.00 3.27 5.03 40 A C C 40.02 15.00 12.47 27.41 121.05 -119.70 -84.99 146.84 93.76 6.08 0.16 75.64 17.71 0.65 0.05 0.13 0.00 3.52 2.30 41 P C C 43.78 13.19 14.71 28.74 115.45 -101.94 -65.19 149.58 94.80 4.93 0.28 85.91 7.84 1.22 0.06 0.23 0.00 3.21 1.53 42 K C C 141.68 4.24 18.79 24.40 113.20 -128.96 -83.65 129.89 77.71 21.54 0.76 63.46 11.32 1.55 0.32 0.52 0.00 10.78 12.04 43 S C C 41.01 13.28 15.37 28.86 123.22 47.04 -117.49 147.54 75.18 23.93 0.90 63.24 8.86 2.07 0.27 0.76 0.00 18.18 6.62 44 A C C 53.99 8.92 19.84 29.23 125.10 -156.99 -116.83 147.18 64.34 34.49 1.17 43.96 16.57 3.54 0.37 0.99 0.00 20.86 13.71 45 C C C 27.34 18.09 12.77 30.44 113.09 -120.39 -87.19 129.79 71.38 27.32 1.30 45.14 18.35 7.74 0.45 1.09 0.01 15.63 11.59 46 G C T 46.44 5.21 18.83 24.46 98.15 -140.46 -43.09 -33.00 97.62 1.76 0.61 3.80 45.91 48.10 0.03 0.61 0.00 1.21 0.33 47 V C S 82.31 7.76 17.21 25.59 100.21 30.17 -95.52 -23.69 97.62 1.76 0.62 2.35 48.76 46.85 0.04 0.51 0.00 1.10 0.40 48 C C S 31.60 15.02 10.71 25.89 117.47 40.63 -123.49 111.71 84.53 14.88 0.59 16.92 62.78 5.12 0.10 0.50 0.00 7.68 6.91 49 P C T 103.04 2.80 17.18 20.70 100.17 -131.77 -67.52 3.94 89.28 9.08 1.64 17.46 33.83 38.22 0.15 1.75 0.00 7.20 1.40 50 G C S 39.01 5.16 18.31 24.12 126.66 47.65 91.42 -150.27 84.51 13.35 2.13 18.41 36.45 30.28 0.29 1.94 0.00 10.88 1.74 51 R C C 121.34 8.42 19.12 27.98 116.73 -53.21 -83.17 138.27 61.78 36.77 1.46 49.16 9.39 1.76 0.58 0.97 0.00 15.30 22.83 52 L C C 11.87 23.71 11.74 35.10 112.17 -128.94 -87.60 126.53 75.01 23.68 1.31 68.71 3.90 1.22 0.44 0.92 0.00 13.20 11.61 53 R C T 137.67 5.40 23.31 29.40 111.07 -137.25 -76.57 132.66 86.13 11.99 1.87 17.81 16.44 52.66 0.36 1.54 0.01 8.76 2.43 54 G C T 28.60 10.83 21.20 31.85 100.00 22.94 90.30 -2.58 89.36 9.22 1.43 14.92 19.75 55.11 0.22 1.30 0.00 7.64 1.06 55 V C C 13.27 23.97 12.92 36.48 116.66 114.75 -90.61 129.01 73.59 25.94 0.47 63.53 8.62 0.68 0.22 0.33 0.00 19.34 7.29 56 R C C 119.30 6.33 24.46 31.26 121.30 -153.90 -103.48 140.70 58.58 41.07 0.35 55.91 2.02 0.34 0.19 0.19 0.00 31.56 9.78 57 A C C 49.22 14.72 17.26 31.51 114.24 -111.11 -71.41 137.79 71.02 28.55 0.43 63.91 6.38 0.52 0.24 0.24 0.00 22.60 6.11 58 V C C 30.98 15.77 13.68 29.87 126.84 -165.91 -120.12 148.60 88.76 10.87 0.37 78.58 10.45 0.32 0.27 0.13 0.00 5.46 4.80 59 R C C 122.95 3.40 19.62 22.78 115.92 -104.29 -73.65 148.07 99.05 0.53 0.42 95.76 3.20 0.20 0.36 0.05 0.00 0.22 0.21 60 P H H 70.59 9.77 11.56 22.54 91.56 -111.59 -57.23 -38.61 9.90 0.10 90.00 2.14 1.53 6.21 81.10 8.90 0.03 0.06 0.04 61 K H H 144.33 1.20 16.01 16.35 91.68 54.89 -64.59 -36.72 6.44 0.10 93.46 0.96 0.74 4.46 83.08 10.64 0.03 0.06 0.03 62 V H H 60.62 6.04 14.35 22.03 93.08 48.94 -68.42 -38.60 3.90 0.11 95.99 0.91 0.50 2.37 85.76 10.34 0.01 0.09 0.02 63 L H H 35.73 17.06 10.24 26.70 91.88 53.96 -64.88 -37.59 4.17 0.08 95.74 0.85 0.46 2.62 84.43 11.55 0.01 0.06 0.02 64 M H H 120.74 4.00 15.04 20.30 91.22 58.19 -68.70 -22.76 36.77 0.13 63.10 1.02 1.29 34.95 51.96 10.52 0.09 0.07 0.09 65 R C T 177.36 1.04 16.36 16.14 94.86 54.61 -88.73 -7.11 58.90 0.15 40.96 1.53 2.35 55.64 31.86 8.37 0.04 0.07 0.13 66 L C S 38.96 15.71 6.96 22.00 118.78 104.09 -76.68 145.96 95.62 0.82 3.55 36.75 56.54 2.10 2.96 0.63 0.00 0.19 0.84 67 S C C 60.45 2.38 16.86 18.89 118.08 -117.58 -76.47 156.17 96.69 2.14 1.17 93.73 2.01 0.50 0.67 0.29 0.00 0.56 2.24 68 K H G 131.13 7.47 11.02 20.04 92.03 -111.11 -59.36 -34.17 37.18 0.42 62.39 2.15 4.41 29.67 3.32 59.92 0.02 0.23 0.28 69 T H G 105.38 1.96 14.72 17.15 92.26 60.66 -70.85 -22.51 39.01 0.22 60.78 1.27 3.42 33.36 3.03 58.65 0.01 0.12 0.15 70 K H G 122.07 4.90 15.00 21.05 95.75 52.03 -88.00 -6.44 34.75 0.46 64.79 4.92 6.54 21.98 3.69 62.34 0.01 0.25 0.28 71 K C C 60.45 16.56 11.91 27.77 108.04 89.59 -85.05 104.66 90.11 1.83 8.07 65.19 21.27 3.55 4.41 3.23 0.00 0.60 1.75 72 H C C 98.28 6.96 19.97 27.72 124.84 143.58 -115.18 144.08 85.92 12.07 2.01 70.70 11.42 1.25 1.31 0.69 0.00 3.16 11.48 73 V C C 32.86 18.69 12.19 30.39 111.21 -128.77 -84.42 125.53 92.17 6.05 1.78 79.07 10.61 1.82 0.98 0.76 0.00 2.68 4.08 74 S C C 79.99 3.71 19.10 23.62 99.17 136.14 -99.69 -8.15 94.43 4.39 1.18 73.38 18.66 2.01 0.57 0.58 0.00 1.77 3.03 75 R C S 106.88 5.99 16.84 24.12 129.29 66.14 -112.06 159.04 83.10 7.64 9.26 21.39 51.38 9.38 3.72 4.31 0.18 2.17 7.46 76 A C T 60.01 10.33 15.26 26.12 94.17 -100.17 -63.19 -30.26 82.27 0.69 17.04 2.13 12.13 68.07 2.46 14.28 0.01 0.35 0.57 77 Y C T 121.45 8.89 15.89 25.46 97.39 42.73 -89.09 6.53 81.36 1.16 17.47 2.97 11.01 66.85 2.26 15.51 0.01 0.66 0.73 78 G C T 29.77 11.54 15.31 27.08 104.91 -52.84 60.93 11.32 75.41 6.56 18.03 22.86 23.21 29.34 4.10 13.33 0.11 2.61 4.43 79 G C T 32.13 9.47 16.65 26.57 120.56 31.45 85.38 -164.73 84.43 3.46 12.11 19.51 24.45 40.21 2.35 9.78 0.01 1.59 2.11 80 S C S 65.69 7.65 18.48 26.66 97.36 -50.86 -83.43 -11.45 83.95 4.43 11.62 14.35 37.25 33.13 2.80 8.04 0.01 2.40 2.00 81 M C S 64.49 12.94 16.88 29.93 119.21 78.83 -94.30 149.19 75.48 17.15 7.38 23.06 42.43 8.97 3.60 3.24 0.10 5.89 12.71 82 C C C 35.64 10.64 18.97 30.46 116.94 -98.64 -76.80 152.23 89.69 7.76 2.55 82.03 5.54 1.16 2.10 0.50 0.00 2.59 6.08 83 A H H 35.95 14.56 16.16 30.86 92.33 -115.07 -60.34 -36.10 3.60 0.01 96.39 0.73 0.60 2.11 95.85 0.69 0.00 0.01 0.01 84 K H H 124.13 3.24 23.10 26.55 91.88 53.99 -64.75 -40.38 1.73 0.01 98.26 0.19 0.17 1.29 97.60 0.75 0.00 0.00 0.00 85 C H H 31.78 9.22 20.15 30.57 92.03 49.01 -65.84 -41.96 1.07 0.01 98.92 0.21 0.10 0.70 98.12 0.86 0.00 0.00 0.00 86 V H H 9.22 20.32 16.79 37.49 91.96 50.13 -64.20 -43.62 0.40 0.00 99.59 0.14 0.04 0.19 99.51 0.12 0.00 0.00 0.00 87 R H H 87.69 11.27 21.00 32.15 91.60 50.89 -62.96 -42.46 0.32 0.00 99.68 0.07 0.02 0.18 99.67 0.05 0.00 0.00 0.00 88 D H H 74.75 3.38 23.40 26.24 91.74 49.58 -64.65 -41.42 0.27 0.00 99.73 0.07 0.02 0.14 99.73 0.03 0.00 0.00 0.00 89 R H H 79.10 10.62 20.75 31.59 92.03 49.30 -65.48 -41.25 0.22 0.00 99.78 0.05 0.02 0.12 99.78 0.03 0.00 0.00 0.00 90 I H H 25.20 18.55 17.98 36.40 92.03 49.00 -64.87 -42.49 0.17 0.00 99.83 0.04 0.01 0.09 99.84 0.02 0.00 0.00 0.00 91 K H H 95.71 8.19 21.22 29.58 91.54 50.21 -62.98 -42.23 0.15 0.00 99.85 0.04 0.01 0.07 99.86 0.02 0.00 0.00 0.00 92 R H H 125.51 3.06 22.56 25.09 91.85 49.01 -64.73 -41.62 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.02 0.00 0.00 0.00 93 A H H 22.46 10.70 18.66 30.88 91.58 50.03 -64.41 -42.02 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.03 0.00 0.00 0.00 94 F H H 50.61 13.90 18.26 32.41 92.13 49.09 -65.19 -41.92 0.39 0.00 99.61 0.03 0.02 0.27 99.63 0.04 0.00 0.00 0.00 95 L H H 77.76 5.71 20.01 26.07 91.83 49.64 -64.46 -41.23 0.77 0.00 99.23 0.07 0.04 0.54 99.29 0.06 0.00 0.00 0.00 96 I H H 81.34 3.52 20.45 23.80 91.97 49.16 -65.01 -42.12 0.86 0.00 99.14 0.12 0.06 0.55 99.20 0.07 0.00 0.00 0.00 97 E H H 64.41 8.96 18.21 28.03 92.09 49.31 -65.09 -41.43 0.54 0.00 99.46 0.08 0.03 0.32 99.50 0.07 0.00 0.00 0.00 98 E H H 61.74 10.74 16.84 28.25 91.84 50.72 -64.44 -40.66 0.47 0.00 99.53 0.06 0.03 0.29 99.55 0.08 0.00 0.00 0.00 99 Q H H 96.01 3.84 18.99 22.92 91.76 50.99 -64.93 -40.09 0.46 0.00 99.54 0.05 0.02 0.29 99.55 0.09 0.00 0.00 0.00 100 K H H 109.84 3.11 19.28 22.27 92.12 50.28 -65.98 -40.52 0.72 0.00 99.28 0.09 0.04 0.47 99.30 0.10 0.00 0.00 0.00 101 I H H 55.99 8.58 16.86 26.48 92.51 49.56 -65.10 -42.34 0.43 0.00 99.57 0.08 0.03 0.24 99.60 0.05 0.00 0.00 0.00 102 V H H 61.07 6.77 17.10 24.63 91.99 49.68 -64.18 -42.42 0.22 0.00 99.78 0.05 0.01 0.11 99.81 0.03 0.00 0.00 0.00 103 V H H 76.21 2.76 18.35 20.93 91.51 49.46 -63.94 -42.03 0.16 0.00 99.84 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 104 K H H 106.50 3.46 18.05 21.78 91.87 49.66 -65.07 -41.04 0.14 0.00 99.86 0.02 0.01 0.08 99.88 0.02 0.00 0.00 0.00 105 V H H 59.73 7.13 15.80 23.79 92.16 49.30 -64.62 -42.19 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 106 L H H 85.75 3.54 17.05 20.89 91.84 49.65 -64.34 -41.33 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 107 K H H 120.87 1.85 17.56 18.75 91.93 49.68 -65.09 -40.85 0.34 0.00 99.66 0.04 0.02 0.19 99.71 0.04 0.00 0.00 0.00 108 A H H 45.17 4.10 15.13 20.56 91.82 50.35 -64.27 -40.52 0.55 0.00 99.45 0.08 0.03 0.31 99.51 0.07 0.00 0.00 0.00 109 Q H H 94.92 3.44 15.63 19.49 91.87 50.31 -64.69 -40.46 1.03 0.00 98.96 0.18 0.08 0.58 99.06 0.11 0.00 0.00 0.00 110 A H H 56.68 2.02 14.85 16.95 91.89 50.50 -64.38 -40.61 1.68 0.01 98.31 0.36 0.14 0.93 98.36 0.20 0.00 0.00 0.00 111 Q H H 103.85 1.76 14.18 15.89 92.30 50.46 -65.75 -39.57 2.63 0.01 97.36 0.59 0.26 1.50 97.27 0.37 0.00 0.00 0.00 112 S H H 58.84 2.91 11.58 15.67 92.48 50.96 -65.96 -38.49 5.76 0.03 94.21 1.40 0.61 3.34 93.92 0.70 0.00 0.01 0.01 113 Q H H 123.61 1.44 11.32 13.23 92.82 51.76 -67.06 -37.23 11.28 0.06 88.66 2.37 1.38 7.04 88.10 1.05 0.01 0.02 0.03 114 K H H 156.14 0.90 10.29 11.13 93.94 53.12 -69.81 -29.75 24.64 0.15 75.20 5.57 3.36 15.24 74.52 1.16 0.02 0.05 0.09 115 A C H 82.11 1.73 8.45 11.34 97.47 57.62 -77.17 -13.43 55.94 0.27 43.79 28.12 1.91 23.64 44.90 1.17 0.00 0.10 0.17 116 K C C 153.81 2.01 10.57 13.94 102.62 89.30 -77.14 33.06 99.87 0.03 0.10 99.49 0.15 0.26 0.07 0.01 0.00 0.01 0.01