# 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 106.71 6.05 12.34 19.82 117.96 -160.12 -94.23 132.60 99.91 0.08 0.01 99.83 0.09 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 87.54 4.78 9.99 16.59 113.48 -114.22 -69.22 149.39 87.33 2.10 10.57 82.34 1.14 4.64 7.94 1.79 0.00 1.09 1.06 2 K C C 139.70 3.65 9.49 14.88 112.07 -126.66 -86.93 130.06 75.92 5.33 18.75 53.43 14.35 7.63 14.64 4.60 0.01 2.54 2.79 3 K C C 139.74 3.11 10.92 15.56 110.90 -118.26 -83.52 129.46 66.52 6.68 26.80 47.06 12.00 7.18 19.97 7.31 0.02 3.78 2.67 4 R C C 138.44 5.64 10.89 17.95 103.04 -111.55 -77.62 -9.90 59.95 6.98 33.08 41.34 10.00 8.55 23.87 9.36 0.04 4.01 2.83 5 A C C 62.46 6.28 12.19 19.89 106.56 58.95 -80.45 78.41 59.82 6.27 33.91 35.46 12.02 12.74 22.92 10.63 0.08 3.45 2.69 6 S C C 59.00 7.80 12.21 21.19 104.83 53.20 -90.35 43.93 66.67 5.39 27.94 33.47 14.68 19.46 16.03 10.81 0.10 2.61 2.85 7 N C T 99.14 5.25 14.66 21.00 99.84 74.21 -80.49 16.60 79.30 2.83 17.87 24.53 19.15 36.50 7.96 8.89 0.04 1.34 1.60 8 G C T 36.97 8.95 12.78 22.48 101.90 -103.41 76.38 6.84 86.00 3.44 10.57 28.25 25.27 33.49 2.69 7.02 0.01 1.76 1.50 9 R C C 132.47 5.50 14.37 21.15 110.31 121.90 -93.18 106.08 75.05 17.80 7.15 46.91 20.26 6.55 3.25 3.65 0.03 5.79 13.57 10 N C C 59.57 9.32 9.98 20.60 115.15 -117.93 -90.23 137.52 87.16 8.64 4.20 72.84 8.62 4.68 1.65 2.58 0.00 4.15 5.49 11 K C T 158.55 2.23 12.68 16.16 96.00 -143.71 -72.77 -21.34 85.09 3.06 11.84 15.79 24.84 44.54 1.71 9.91 0.01 1.53 1.67 12 K C T 154.06 1.57 12.23 14.17 101.39 54.02 -91.90 7.42 87.63 1.77 10.60 5.55 24.22 57.53 1.10 9.63 0.00 0.92 1.05 13 G C S 44.85 4.98 11.32 17.79 107.17 -85.23 86.70 9.46 89.31 2.63 8.06 18.66 37.74 31.89 0.67 8.34 0.00 1.25 1.45 14 R C T 144.93 4.25 12.49 18.19 106.45 120.55 -89.16 89.61 87.46 5.24 7.30 30.43 23.59 33.18 0.90 6.76 0.00 2.31 2.83 15 G C T 40.67 7.41 13.45 21.80 102.45 -11.09 79.89 -2.64 87.95 5.90 6.15 27.32 29.35 31.23 0.67 5.81 0.00 2.81 2.81 16 H C C 107.71 6.80 15.13 22.98 104.28 101.44 -87.77 69.18 86.46 10.18 3.36 49.85 27.04 9.07 0.64 2.99 0.00 3.84 6.57 17 V C C 56.74 12.41 13.13 26.12 118.59 128.26 -97.53 136.76 86.94 12.48 0.57 64.87 20.28 1.51 0.19 0.39 0.00 4.21 8.55 18 K C C 121.12 5.22 19.63 25.68 117.59 -126.27 -91.37 138.45 94.43 5.53 0.04 78.38 16.24 0.24 0.01 0.03 0.00 4.27 0.83 19 P C C 54.06 13.09 16.88 30.14 116.15 -102.88 -68.53 148.08 85.80 14.15 0.05 81.15 4.20 0.17 0.01 0.04 0.00 13.63 0.80 20 V E E 25.13 16.90 16.92 34.37 124.53 -154.37 -115.92 140.41 8.64 91.35 0.01 7.93 0.48 0.02 0.01 0.01 0.00 88.87 2.69 21 R E E 110.80 7.96 21.87 30.31 117.31 -133.40 -95.52 131.90 4.24 95.74 0.02 4.16 0.15 0.01 0.01 0.01 0.00 88.30 7.36 22 C C C 12.06 19.83 12.08 32.53 110.78 -120.96 -74.23 127.57 59.30 40.60 0.10 59.01 0.96 0.14 0.02 0.07 0.00 37.48 2.32 23 V C T 78.59 7.59 18.63 27.22 94.11 -147.19 -70.53 -25.81 98.16 0.85 1.00 1.71 16.29 79.98 0.03 1.18 0.00 0.66 0.15 24 N C T 94.40 5.78 17.57 23.94 100.69 39.16 -89.72 -34.71 98.44 0.41 1.14 0.81 15.52 82.01 0.04 1.28 0.00 0.25 0.09 25 C C S 50.97 8.50 14.64 24.37 107.85 20.70 -114.51 -6.68 96.78 1.58 1.64 14.35 45.20 36.80 0.10 2.06 0.00 0.92 0.58 26 S C C 70.27 6.99 16.02 24.13 95.08 -127.87 16.78 8.23 97.87 1.86 0.28 53.17 33.55 11.21 0.04 0.31 0.00 1.24 0.47 27 R C C 111.78 6.03 19.49 26.73 120.35 119.44 -85.14 147.34 77.62 22.28 0.10 63.73 13.16 0.60 0.02 0.10 0.00 21.14 1.25 28 S E E 40.35 14.97 16.91 31.75 119.99 -130.78 -96.18 138.82 7.26 92.69 0.04 6.48 0.75 0.06 0.03 0.02 0.00 80.42 12.24 29 V E E 18.31 15.85 16.31 33.39 129.87 -173.66 -131.75 146.70 13.60 86.38 0.01 12.91 0.69 0.02 0.01 0.00 0.00 83.87 2.50 30 P E E 48.35 6.15 20.80 27.98 113.92 -100.08 -64.22 144.42 41.13 58.82 0.05 40.91 0.79 0.05 0.02 0.03 0.00 56.12 2.08 31 K H G 84.55 15.01 12.28 27.10 91.35 -116.35 -57.75 -36.13 30.20 0.38 69.43 2.34 3.31 23.09 30.19 40.62 0.05 0.25 0.16 32 D H G 118.62 1.42 18.56 19.28 91.03 60.65 -69.52 -19.80 27.37 0.40 72.24 1.73 2.80 20.86 34.31 39.77 0.08 0.24 0.21 33 K H G 114.75 5.35 17.28 23.50 97.53 51.21 -94.28 -4.29 22.86 1.18 75.96 4.81 4.10 13.16 37.43 39.25 0.14 0.71 0.41 34 A C H 19.09 19.79 10.45 29.13 112.71 94.81 -80.52 136.48 47.62 11.98 40.40 31.98 9.42 7.17 33.04 6.86 0.12 8.67 2.75 35 I C C 71.81 10.38 14.77 26.00 115.95 -131.85 -94.14 131.61 43.16 34.05 22.79 32.48 6.35 3.66 21.57 2.83 0.07 29.15 3.89 36 K E E 134.53 4.77 15.55 21.70 105.99 -153.37 -90.54 0.08 38.02 39.94 22.03 29.37 4.24 2.93 20.54 2.48 0.02 38.95 1.46 37 R E E 144.80 4.63 13.74 19.95 120.49 14.73 -112.23 136.46 30.75 43.87 25.38 23.12 3.59 2.70 23.53 2.67 0.03 43.14 1.22 38 M E E 101.23 7.93 10.75 20.09 119.10 -152.38 -104.86 131.95 29.59 45.18 25.23 23.15 2.74 2.22 23.49 2.41 0.02 44.72 1.27 39 A E E 67.16 5.09 11.94 18.71 117.49 -157.03 -105.15 132.40 33.33 40.83 25.83 24.98 3.75 2.71 24.44 2.41 0.02 40.48 1.21 40 I C E 100.34 5.93 10.05 17.73 114.92 -150.64 -97.49 127.86 37.99 33.80 28.21 29.01 4.08 3.12 26.54 2.66 0.03 32.95 1.60 41 R C C 158.64 3.12 11.43 16.07 106.57 -163.05 -88.92 3.30 53.56 18.03 28.41 35.21 10.88 5.43 27.24 2.84 0.08 16.75 1.58 42 N C C 91.82 4.02 10.76 16.18 112.43 24.59 -100.02 124.34 62.61 10.56 26.82 45.85 9.60 5.41 26.44 2.55 0.02 8.47 1.66 43 I H H 118.98 2.62 11.49 15.30 95.19 -148.99 -66.89 -35.37 16.14 1.64 82.22 10.54 3.04 3.53 79.77 1.71 0.02 1.14 0.24 44 V H H 98.53 1.88 13.59 15.56 93.84 51.75 -67.93 -39.21 8.01 0.83 91.16 4.62 1.33 2.75 88.82 1.65 0.04 0.69 0.11 45 E H H 91.87 4.79 13.74 19.83 93.98 50.61 -68.35 -39.00 5.57 0.46 93.97 3.41 0.85 1.97 91.73 1.58 0.02 0.37 0.07 46 A H H 44.56 5.57 13.63 21.00 92.71 52.41 -64.98 -40.68 2.67 0.12 97.22 1.43 0.36 1.05 96.22 0.84 0.01 0.08 0.02 47 A H H 54.13 2.80 16.54 19.64 92.31 50.99 -64.94 -40.69 1.84 0.08 98.07 0.76 0.22 0.89 97.45 0.62 0.01 0.05 0.01 48 A H H 50.31 3.78 15.88 20.65 92.30 50.96 -65.04 -40.74 2.10 0.11 97.79 0.79 0.23 1.09 97.19 0.59 0.01 0.08 0.01 49 I H H 72.38 6.09 14.91 22.46 92.22 50.36 -65.16 -41.37 1.62 0.11 98.27 0.65 0.20 0.79 97.83 0.45 0.00 0.07 0.01 50 R H H 128.93 3.19 16.30 20.15 92.22 51.20 -64.75 -40.56 1.98 0.09 97.93 0.75 0.22 1.00 97.51 0.44 0.00 0.06 0.01 51 D H H 84.61 2.34 16.08 18.46 92.35 50.21 -65.71 -40.30 3.37 0.09 96.54 1.14 0.36 1.87 95.98 0.58 0.01 0.05 0.02 52 L H H 81.22 5.02 13.83 20.21 92.65 50.80 -66.03 -40.04 3.73 0.07 96.19 1.15 0.40 2.15 95.31 0.94 0.01 0.04 0.02 53 S H H 60.20 5.54 13.63 20.48 93.04 52.72 -66.62 -37.00 7.78 0.09 92.13 1.56 0.74 5.27 91.12 1.20 0.02 0.04 0.03 54 E H H 135.86 1.83 14.81 16.79 93.56 51.65 -72.64 -27.76 20.39 0.17 79.44 2.40 1.96 15.74 78.06 1.63 0.06 0.07 0.09 55 A H H 64.72 4.40 12.13 17.91 98.24 63.33 -80.18 -10.96 46.64 1.16 52.20 10.63 8.83 27.51 49.65 2.24 0.11 0.47 0.55 56 S C C 62.61 5.95 11.19 18.60 108.09 95.67 -86.33 84.06 67.59 8.05 24.35 35.31 12.39 20.01 20.31 4.49 0.11 4.59 2.79 57 V C C 89.43 5.15 11.41 18.03 102.70 125.94 -86.03 -5.72 62.18 14.35 23.47 32.53 17.15 13.61 18.30 5.20 0.32 8.06 4.83 58 Y C C 117.46 6.52 9.42 17.49 108.10 81.62 -91.14 76.50 60.82 13.21 25.97 36.00 14.26 11.30 19.32 6.53 0.25 7.69 4.65 59 A C T 81.86 2.63 11.70 15.57 97.84 74.48 -74.91 -23.74 52.56 4.42 43.02 14.77 11.95 26.04 21.20 21.34 0.29 2.76 1.65 60 E C T 143.64 1.72 12.19 14.29 101.27 45.40 -85.46 -16.51 53.27 3.61 43.12 10.72 11.36 30.46 20.32 22.98 0.37 2.21 1.58 61 Y C C 127.73 6.15 9.73 17.28 112.24 47.93 -107.76 96.89 52.06 10.74 37.20 19.99 14.13 19.68 16.33 19.32 0.60 6.29 3.66 62 A C C 68.99 4.55 12.13 18.32 113.89 -173.66 -92.42 129.21 69.12 14.14 16.74 42.14 17.41 9.71 11.75 5.36 0.14 7.54 5.96 63 L C C 76.03 9.55 9.48 20.10 116.70 -132.14 -90.43 137.26 78.99 8.01 12.99 49.37 25.44 4.39 10.59 2.81 0.03 4.39 2.97 64 P C C 69.06 5.55 12.30 19.62 111.52 -105.32 -66.35 147.98 74.97 3.25 21.78 61.74 6.38 6.70 14.80 7.11 0.00 2.20 1.07 65 K H H 147.67 3.21 12.22 17.12 95.38 -117.08 -65.67 -28.99 43.76 2.21 54.04 12.32 9.69 21.37 27.78 26.55 0.18 1.26 0.85 66 T H H 87.87 3.71 13.01 17.93 95.52 61.15 -75.58 -22.74 41.06 5.86 53.07 11.58 8.40 20.49 28.45 25.22 0.38 4.12 1.35 67 Y H H 98.52 9.86 12.16 22.87 101.11 56.14 -89.19 -7.27 38.16 13.74 48.10 17.76 8.31 13.00 26.64 21.04 0.38 10.54 2.33 68 N C C 69.17 11.00 13.84 25.39 103.79 85.06 -82.16 14.20 48.83 21.94 29.23 30.97 10.00 8.00 23.17 6.50 0.15 18.53 2.66 69 K C E 106.20 8.21 17.99 26.71 106.20 83.19 -90.48 27.22 41.86 32.12 26.02 25.38 9.05 7.53 20.67 5.73 0.11 29.56 1.96 70 L E E 55.18 14.46 17.67 32.07 110.26 95.75 -93.13 113.36 35.13 40.87 24.00 22.31 6.64 5.51 19.71 4.91 0.07 39.41 1.43 71 H E E 56.40 15.43 20.43 35.48 118.17 -161.38 -104.47 128.54 29.20 49.79 21.00 20.00 4.58 4.07 17.74 4.32 0.06 47.40 1.84 72 Y E E 45.41 17.38 21.19 38.05 119.91 -164.12 -109.57 132.04 30.29 53.46 16.25 22.64 4.13 2.56 14.74 2.82 0.04 47.77 5.30 73 C C C 22.58 17.09 22.18 38.74 115.37 -141.42 -85.89 140.37 46.35 37.31 16.34 42.26 2.56 1.26 16.54 1.06 0.00 33.46 2.85 74 I H H 44.47 17.22 20.84 37.28 94.24 -119.76 -62.53 -37.01 7.86 0.85 91.29 2.94 1.47 3.80 89.29 1.58 0.04 0.78 0.10 75 S H H 42.01 8.47 23.07 32.10 91.85 54.11 -64.05 -41.10 4.15 0.77 95.08 1.53 0.64 2.16 93.01 1.72 0.03 0.85 0.07 76 C H H 26.22 11.76 20.47 33.28 91.96 49.98 -65.44 -41.18 2.04 0.48 97.47 0.85 0.32 0.98 95.23 2.03 0.01 0.55 0.04 77 A H H 10.29 17.37 16.53 34.61 91.77 52.58 -64.23 -41.71 1.99 0.50 97.51 0.79 0.26 0.98 95.66 1.70 0.01 0.57 0.03 78 I H H 67.86 9.55 18.07 28.17 92.50 50.05 -65.32 -41.56 3.01 0.44 96.54 0.70 0.31 1.98 95.22 1.27 0.03 0.46 0.04 79 H H H 115.52 4.99 17.98 23.65 92.09 51.15 -67.45 -32.24 9.10 0.12 90.78 0.78 0.58 7.74 89.74 1.00 0.04 0.07 0.04 80 A C T 45.34 8.82 14.16 24.44 94.03 50.16 -86.75 -4.00 67.51 0.17 32.31 1.88 2.98 59.66 34.22 1.07 0.01 0.07 0.10 81 R C T 164.61 3.77 17.29 22.40 94.12 -122.78 60.87 32.65 83.41 0.46 16.13 4.58 4.48 71.86 17.47 1.17 0.01 0.27 0.17 82 I C C 58.21 11.82 14.95 27.50 102.09 134.24 -91.20 -6.49 67.71 9.77 22.53 34.65 21.20 11.53 19.98 3.46 0.16 5.88 3.13 83 V C C 45.21 15.67 13.48 28.72 118.36 64.51 -106.96 136.83 62.73 13.10 24.16 29.92 23.79 9.39 20.09 4.47 0.27 9.30 2.75 84 R C C 133.67 6.44 18.21 25.43 114.07 -146.43 -97.23 122.59 63.61 13.96 22.43 43.21 12.56 7.26 18.83 4.18 0.06 11.55 2.35 85 V C C 63.99 12.11 13.76 26.35 114.16 -151.92 -96.82 124.37 69.26 9.85 20.89 55.34 8.40 4.43 18.78 3.09 0.02 7.97 1.97 86 R C C 105.82 8.95 13.29 23.38 116.90 -154.15 -92.63 140.24 77.69 4.63 17.68 62.13 9.94 4.42 16.72 2.26 0.00 3.31 1.22 87 S C C 50.09 5.38 13.95 20.90 114.59 -115.28 -79.52 147.47 79.57 2.55 17.88 68.63 5.80 4.14 17.05 2.03 0.00 1.51 0.85 88 R H H 141.93 4.95 12.00 18.54 94.00 -125.71 -62.85 -35.06 25.85 0.78 73.37 14.65 6.26 7.17 65.47 5.73 0.03 0.41 0.28 89 T H H 88.37 1.65 14.20 15.70 92.37 54.59 -65.54 -39.81 19.45 0.57 79.98 7.09 3.98 9.28 70.51 8.53 0.07 0.36 0.19 90 D H H 67.46 4.52 12.28 18.55 92.66 50.41 -67.34 -35.71 19.33 0.63 80.04 7.96 3.47 8.69 69.31 9.91 0.05 0.41 0.20 91 R H H 97.73 8.10 10.49 19.99 92.64 56.30 -67.19 -33.79 20.12 0.86 79.03 10.21 3.85 7.53 69.22 8.35 0.04 0.52 0.28 92 R H H 148.23 2.65 13.17 16.92 93.11 57.30 -68.42 -32.02 29.37 1.79 68.85 14.38 5.93 11.35 60.28 6.31 0.09 1.03 0.64 93 I H H 116.87 2.23 12.90 15.70 96.48 51.11 -82.29 -13.95 45.73 2.60 51.67 21.55 9.31 16.68 45.92 4.08 0.08 1.29 1.07 94 R C C 134.97 5.34 10.24 17.06 102.66 77.99 -82.67 19.96 72.16 3.68 24.16 40.79 15.76 15.38 21.61 2.90 0.02 1.57 1.97 95 A C C 66.83 4.12 10.15 16.04 117.06 105.72 -92.59 139.53 96.94 1.80 1.25 57.27 38.37 1.36 1.06 0.26 0.00 0.66 1.03 96 P C C 88.11 3.74 9.33 15.03 115.76 -104.12 -67.01 150.00 99.39 0.33 0.27 88.27 10.17 1.00 0.13 0.11 0.00 0.15 0.17 97 P C C 100.52 2.88 8.62 13.48 111.96 -100.43 -66.06 148.14 98.70 0.29 1.01 89.32 5.41 4.10 0.35 0.49 0.00 0.13 0.21 98 Q C C 144.62 1.65 8.35 11.57 110.18 -104.99 -76.84 135.87 98.09 0.71 1.21 93.88 1.21 3.34 0.37 0.47 0.00 0.27 0.45 99 R C C 177.29 2.08 9.46 13.31 110.17 -127.21 -87.66 125.96 99.91 0.06 0.03 99.69 0.16 0.10 0.01 0.00 0.00 0.02 0.01