# 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 102.70 6.79 13.29 21.21 116.25 -158.78 -91.28 137.72 99.87 0.06 0.07 99.79 0.07 0.05 0.04 0.00 0.00 0.02 0.01 1 A C C 59.78 6.82 10.42 18.61 109.47 -115.13 -74.58 146.08 82.44 1.31 16.26 78.16 0.88 3.25 15.69 0.91 0.00 0.56 0.54 2 K C C 127.27 3.82 11.12 16.44 106.01 -109.64 -74.05 111.24 61.77 1.60 36.63 48.56 6.17 5.61 36.38 1.96 0.00 0.72 0.60 3 K H H 139.31 2.44 12.59 16.00 96.37 -112.86 -68.30 -33.86 32.08 0.79 67.13 21.12 5.43 6.40 64.00 2.40 0.01 0.38 0.27 4 S H H 55.86 4.32 13.33 18.90 94.98 54.29 -69.19 -37.89 26.51 0.51 72.98 18.34 3.47 5.34 70.19 2.23 0.00 0.24 0.18 5 M H H 69.01 8.65 13.24 23.19 93.57 53.71 -66.58 -38.88 10.85 0.20 88.95 7.25 1.64 2.48 87.04 1.42 0.00 0.10 0.07 6 I H H 79.51 5.05 15.63 21.97 92.41 51.87 -64.76 -41.57 4.93 0.12 94.96 2.93 0.72 1.46 94.08 0.72 0.00 0.06 0.04 7 N H H 86.45 2.53 18.56 20.73 92.09 50.20 -64.84 -40.80 3.55 0.06 96.39 2.02 0.44 1.14 95.85 0.51 0.00 0.03 0.02 8 R H H 92.82 7.79 17.32 26.10 92.10 50.27 -65.30 -41.03 2.16 0.02 97.82 1.05 0.26 0.80 97.57 0.31 0.00 0.01 0.01 9 E H H 60.24 11.52 16.51 28.80 91.65 51.07 -64.19 -41.03 1.38 0.01 98.61 0.59 0.14 0.54 98.54 0.18 0.00 0.00 0.00 10 L H H 83.07 3.46 20.55 23.93 91.72 50.44 -63.99 -41.49 1.00 0.00 99.00 0.37 0.09 0.43 99.00 0.12 0.00 0.00 0.00 11 K H H 102.95 3.89 21.32 25.10 91.78 49.83 -64.69 -41.34 0.86 0.00 99.14 0.28 0.07 0.39 99.16 0.10 0.00 0.00 0.00 12 R H H 55.34 15.62 17.38 32.85 91.95 50.12 -64.30 -41.68 0.63 0.00 99.36 0.17 0.05 0.33 99.37 0.08 0.00 0.00 0.00 13 E H H 79.73 9.98 19.72 30.05 91.69 51.27 -63.29 -41.05 0.45 0.00 99.55 0.11 0.04 0.23 99.56 0.06 0.00 0.00 0.00 14 K H H 123.03 1.88 23.65 23.75 91.75 49.80 -64.56 -40.88 0.47 0.00 99.53 0.09 0.03 0.27 99.54 0.06 0.00 0.00 0.00 15 E H H 52.82 10.11 20.27 31.25 91.99 49.17 -65.03 -41.75 0.48 0.00 99.51 0.08 0.04 0.30 99.51 0.07 0.00 0.00 0.00 16 V H H 16.34 19.17 16.30 35.51 91.78 50.01 -63.75 -41.79 0.37 0.00 99.63 0.06 0.03 0.23 99.57 0.11 0.00 0.00 0.00 17 A H H 54.65 4.65 21.69 26.57 91.36 51.04 -63.71 -40.74 0.69 0.00 99.31 0.08 0.04 0.50 99.09 0.30 0.00 0.00 0.00 18 K H H 121.06 2.75 22.90 24.94 92.02 50.37 -65.89 -38.42 3.52 0.00 96.48 0.13 0.13 3.22 96.00 0.52 0.00 0.00 0.00 19 Y H H 36.93 16.84 16.49 33.36 94.45 45.47 -78.27 -26.23 8.92 0.00 91.07 0.54 0.42 7.72 90.68 0.63 0.00 0.00 0.00 20 A H H 32.74 12.95 17.42 30.96 92.33 73.58 -61.30 -42.00 2.50 0.00 97.49 0.76 0.21 1.18 97.45 0.40 0.00 0.00 0.00 21 D H H 94.78 1.75 23.67 23.58 91.79 50.51 -64.46 -40.89 1.81 0.00 98.18 0.42 0.15 1.06 98.00 0.37 0.00 0.00 0.00 22 K H H 75.24 10.53 20.47 31.21 91.94 49.61 -65.77 -40.60 1.00 0.00 99.00 0.25 0.08 0.55 98.85 0.27 0.00 0.00 0.00 23 R H H 48.17 18.39 17.09 34.72 91.71 51.96 -62.95 -41.77 0.41 0.00 99.59 0.13 0.03 0.19 99.59 0.06 0.00 0.00 0.00 24 T H H 67.74 3.88 23.25 26.88 91.35 50.98 -63.58 -40.82 0.16 0.00 99.84 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 25 K H H 103.29 4.19 23.56 27.57 91.66 50.23 -64.56 -41.07 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 26 L H H 9.42 21.73 16.42 38.22 91.29 50.66 -63.91 -42.30 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 27 K H H 87.03 11.90 21.10 32.62 91.29 52.14 -62.08 -41.31 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 28 E H H 110.56 1.93 24.21 24.23 91.69 50.63 -64.36 -41.35 0.32 0.00 99.68 0.02 0.01 0.24 99.57 0.15 0.00 0.00 0.00 29 T H H 26.30 12.56 18.30 31.91 92.02 49.54 -65.59 -40.35 0.97 0.00 99.03 0.05 0.04 0.79 98.71 0.41 0.00 0.00 0.00 30 I H H 24.44 19.89 14.70 34.24 91.86 53.43 -67.53 -30.43 7.54 0.01 92.45 0.20 0.29 6.98 91.92 0.59 0.01 0.00 0.00 31 S H H 76.13 3.63 19.60 23.75 93.32 55.23 -84.91 -6.75 44.34 0.05 55.61 1.43 2.61 38.18 56.69 1.01 0.01 0.01 0.04 32 D C C 61.80 7.80 12.40 22.26 108.00 101.24 -83.77 114.43 99.04 0.29 0.67 87.68 10.29 0.90 0.46 0.16 0.00 0.07 0.45 33 M C T 137.38 3.84 12.11 18.37 93.76 -167.28 -70.45 -17.59 99.28 0.10 0.63 2.65 8.84 87.89 0.16 0.36 0.00 0.05 0.05 34 N C T 137.38 0.62 15.27 14.08 94.21 59.83 -89.25 0.18 99.58 0.08 0.34 2.74 8.30 88.60 0.06 0.23 0.00 0.05 0.02 35 A C S 23.66 14.44 6.56 20.76 120.27 103.88 -78.29 150.17 99.49 0.30 0.21 32.47 66.57 0.45 0.10 0.06 0.00 0.06 0.29 36 S C C 62.44 1.94 17.21 18.29 118.59 -103.35 -69.65 160.19 99.82 0.09 0.08 99.24 0.55 0.07 0.05 0.01 0.00 0.02 0.06 37 D H H 107.76 3.60 12.36 18.08 91.29 -104.13 -58.52 -38.27 1.42 0.00 98.58 0.22 0.24 0.74 98.54 0.26 0.00 0.00 0.00 38 E H H 135.24 1.11 16.92 16.66 91.91 52.87 -64.31 -40.86 0.67 0.00 99.33 0.07 0.05 0.43 99.17 0.28 0.00 0.00 0.00 39 V H H 56.67 7.24 15.71 24.51 92.10 47.91 -65.74 -40.83 0.33 0.00 99.67 0.06 0.02 0.18 99.46 0.28 0.00 0.00 0.00 40 R H H 50.28 16.28 13.42 29.61 91.52 51.60 -62.58 -42.15 0.16 0.00 99.84 0.03 0.01 0.07 99.82 0.07 0.00 0.00 0.00 41 M H H 93.08 3.54 21.09 24.40 91.56 50.04 -63.78 -41.74 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 42 D H H 80.53 2.58 22.96 24.40 91.63 49.47 -64.35 -41.15 0.22 0.00 99.78 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 43 A H H 6.29 18.43 15.63 35.10 91.48 50.76 -63.37 -42.11 0.25 0.00 99.75 0.02 0.00 0.16 99.77 0.04 0.00 0.00 0.00 44 M H H 62.94 14.19 19.24 33.00 91.68 52.71 -62.37 -41.79 0.18 0.00 99.82 0.01 0.00 0.12 99.83 0.03 0.00 0.00 0.00 45 L H H 91.97 2.12 23.35 23.60 91.63 50.03 -63.91 -42.47 0.10 0.00 99.90 0.01 0.00 0.07 99.84 0.08 0.00 0.00 0.00 46 E H H 80.36 7.52 21.03 29.12 91.70 49.36 -65.00 -41.09 0.18 0.00 99.82 0.01 0.00 0.14 99.56 0.28 0.00 0.00 0.00 47 L H H 7.87 23.80 13.55 37.26 91.26 50.88 -64.49 -39.89 0.52 0.00 99.48 0.02 0.01 0.46 98.44 1.07 0.00 0.00 0.00 48 Q H H 106.80 6.90 19.61 27.53 90.43 56.01 -66.10 -25.53 10.95 0.00 89.05 0.12 0.19 11.31 87.17 1.20 0.00 0.00 0.00 49 A C T 79.27 2.23 20.65 22.37 92.52 57.87 -83.61 -9.38 57.26 0.02 42.72 0.78 1.43 54.33 41.90 1.53 0.00 0.00 0.02 50 L C S 22.64 21.28 8.79 29.02 117.65 106.87 -71.27 144.10 99.79 0.10 0.12 18.97 80.57 0.27 0.09 0.02 0.00 0.02 0.07 51 P C C 64.07 5.55 18.27 24.82 113.31 -103.41 -64.19 148.24 98.89 0.70 0.41 97.84 0.74 0.39 0.14 0.14 0.00 0.19 0.56 52 R C T 151.01 7.70 14.17 23.27 92.89 -118.73 -63.17 -28.00 96.84 0.35 2.81 6.17 16.56 73.87 0.35 2.60 0.00 0.16 0.29 53 N C T 110.75 3.26 18.74 22.42 99.12 53.34 -93.37 26.46 97.11 0.40 2.50 11.96 11.68 73.15 0.35 2.41 0.00 0.21 0.24 54 S C C 25.17 17.61 11.41 28.71 115.30 141.60 -76.02 141.41 95.33 1.16 3.50 75.49 16.98 2.41 1.07 2.44 0.00 0.36 1.26 55 S C C 36.73 8.92 18.96 28.85 124.22 -142.80 -97.22 155.66 96.42 0.60 2.99 84.43 10.78 1.02 2.49 0.42 0.00 0.13 0.73 56 P H H 63.66 10.56 17.21 28.47 91.56 -114.01 -60.08 -30.78 42.57 0.18 57.25 4.20 5.01 31.95 42.79 15.77 0.05 0.08 0.15 57 V H H 55.08 10.85 18.74 30.15 92.01 60.86 -67.09 -30.52 38.16 0.27 61.57 3.77 3.99 28.68 46.63 16.53 0.08 0.14 0.18 58 R H H 69.39 15.00 17.87 32.59 91.81 60.00 -64.22 -34.09 25.67 0.84 73.50 8.84 4.79 11.62 52.77 21.14 0.06 0.45 0.35 59 L H H 48.80 16.19 18.03 33.89 92.48 56.66 -67.23 -31.43 26.73 1.34 71.93 10.02 4.85 11.97 53.20 18.58 0.09 0.74 0.53 60 R H H 115.14 9.29 21.70 30.94 94.05 58.09 -69.76 -27.21 43.55 1.63 54.82 11.03 8.35 24.36 41.14 13.27 0.17 0.89 0.80 61 N C T 59.14 12.19 20.12 32.26 98.57 48.34 -94.84 1.49 61.36 2.41 36.23 20.14 10.66 30.91 25.89 9.74 0.17 1.40 1.10 62 R C B 68.00 14.33 19.66 33.81 119.81 103.19 -86.24 147.48 47.68 38.97 13.34 30.30 10.08 2.28 11.21 0.95 0.08 4.85 40.26 63 C C C 13.26 19.40 14.19 33.84 111.17 -106.98 -70.56 136.12 87.34 3.29 9.37 80.23 3.23 3.10 8.42 1.09 0.00 1.01 2.92 64 A C T 70.84 5.35 20.22 26.38 94.04 -140.50 -70.39 -28.98 88.81 0.16 11.03 1.39 7.05 80.58 8.36 2.35 0.02 0.06 0.19 65 I C T 77.63 9.93 17.71 27.99 99.03 41.00 -81.97 -40.77 92.50 0.10 7.40 0.25 4.73 89.15 3.89 1.81 0.00 0.03 0.13 66 T C T 51.88 9.52 15.62 26.30 101.74 21.85 -103.77 -14.33 91.53 0.11 8.36 0.57 6.04 86.18 5.94 1.09 0.00 0.04 0.13 67 G C C 47.76 4.68 17.00 22.84 95.00 -119.59 80.36 7.30 99.45 0.40 0.15 58.56 35.14 5.71 0.03 0.12 0.00 0.15 0.29 68 R C C 99.06 8.16 15.51 25.16 120.15 128.83 -94.09 141.00 97.12 2.79 0.09 66.40 30.37 0.43 0.02 0.06 0.00 0.75 1.97 69 P C C 76.32 6.98 19.30 26.76 112.02 -105.75 -66.69 147.95 80.51 18.42 1.07 44.48 30.74 3.84 0.42 0.68 0.02 5.89 13.92 70 H C C 78.96 12.96 18.60 30.99 116.19 6.07 -118.94 137.01 96.08 3.34 0.58 66.27 22.78 6.67 0.09 0.62 0.00 1.63 1.94 71 G C C 15.31 15.05 17.96 32.94 127.84 159.06 -110.39 170.40 92.42 6.87 0.71 49.30 40.92 2.59 0.20 0.51 0.00 4.04 2.43 72 Y C S 86.24 11.25 20.45 31.89 114.49 -75.23 -103.31 127.80 65.00 34.19 0.81 22.25 41.88 2.04 0.40 0.46 0.02 21.39 11.56 73 F E B 39.00 17.83 13.85 31.46 104.80 73.36 -94.34 85.30 22.59 74.83 2.57 15.70 4.36 0.90 1.97 0.69 0.06 33.85 42.47 74 R H G 150.46 4.62 16.67 23.12 94.91 125.31 -67.29 -36.08 31.05 0.33 68.62 1.11 1.73 26.90 4.07 65.87 0.00 0.24 0.06 75 K H G 135.82 3.32 17.58 21.73 94.27 48.14 -70.64 -36.45 30.02 0.13 69.85 0.28 1.15 28.12 5.79 64.51 0.01 0.08 0.06 76 F H G 61.46 13.39 14.91 28.77 98.46 28.66 -102.55 -11.66 26.38 0.09 73.53 0.25 1.13 25.27 8.46 64.79 0.01 0.04 0.04 77 G C T 34.03 6.82 21.59 29.46 95.26 -119.40 76.10 13.85 98.43 0.98 0.59 7.58 8.54 82.45 0.14 0.38 0.00 0.67 0.23 78 L E B 16.30 19.43 16.05 35.84 128.29 123.44 -113.77 149.43 35.13 64.47 0.40 25.61 8.16 0.37 0.33 0.14 0.00 29.97 35.40 79 S C C 20.90 10.66 22.89 34.58 120.51 -119.91 -78.30 160.81 73.03 26.74 0.22 72.39 1.44 0.12 0.19 0.06 0.00 16.37 9.43 80 R H H 66.44 17.82 17.64 34.93 91.47 -110.56 -58.55 -38.87 4.41 0.01 95.58 0.47 0.75 2.88 95.60 0.28 0.01 0.00 0.01 81 N H H 84.46 4.67 24.24 28.93 91.71 52.87 -64.16 -41.38 2.49 0.00 97.50 0.13 0.19 2.21 97.12 0.33 0.01 0.00 0.00 82 M H H 58.79 9.61 22.55 32.65 92.07 48.08 -65.60 -41.21 0.81 0.00 99.19 0.10 0.05 0.57 98.96 0.32 0.00 0.00 0.00 83 L H H 2.92 25.74 15.60 41.90 91.37 50.65 -62.96 -43.51 0.37 0.00 99.63 0.07 0.02 0.20 99.62 0.09 0.00 0.00 0.00 84 R H H 89.95 12.08 21.26 33.01 91.52 51.20 -62.87 -41.97 0.24 0.00 99.76 0.05 0.01 0.11 99.81 0.03 0.00 0.00 0.00 85 E H H 97.12 2.94 23.29 25.27 91.93 49.50 -64.48 -42.23 0.18 0.00 99.82 0.02 0.01 0.09 99.84 0.03 0.00 0.00 0.00 86 R H H 53.01 11.12 18.42 30.67 91.81 48.73 -65.34 -41.09 0.25 0.00 99.75 0.03 0.02 0.14 99.72 0.09 0.00 0.00 0.00 87 V H H 21.62 18.35 13.63 31.90 92.12 50.90 -63.62 -42.21 0.46 0.00 99.54 0.05 0.02 0.30 99.29 0.34 0.00 0.00 0.00 88 M H H 114.57 5.29 17.45 23.74 91.08 51.51 -65.59 -29.66 2.79 0.00 97.20 0.06 0.07 2.73 96.75 0.38 0.00 0.00 0.00 89 Q C T 118.67 2.25 16.96 19.10 92.53 51.52 -85.80 -4.03 64.53 0.01 35.46 0.16 0.83 64.26 34.14 0.59 0.00 0.00 0.01 90 G C T 44.75 7.54 13.92 22.77 94.65 -112.17 79.46 12.72 99.47 0.01 0.52 1.06 3.35 95.20 0.33 0.06 0.00 0.00 0.01 91 D C S 80.80 5.95 17.98 25.20 95.02 127.29 -79.25 -17.31 99.66 0.27 0.07 28.54 70.28 0.85 0.03 0.03 0.00 0.08 0.19 92 V C S 15.51 21.17 12.25 33.03 115.14 41.87 -123.58 99.95 99.25 0.65 0.10 32.35 66.23 0.65 0.03 0.05 0.00 0.18 0.52 93 P C T 71.02 7.07 21.67 29.33 112.56 -135.92 -66.67 138.73 99.20 0.38 0.41 9.33 11.93 77.82 0.05 0.43 0.00 0.22 0.22 94 G C T 34.21 8.73 20.77 30.20 94.93 21.77 83.79 -2.19 98.39 1.09 0.52 9.36 11.05 77.93 0.07 0.53 0.00 0.81 0.24 95 V C C 21.40 22.27 12.34 34.01 114.74 134.29 -81.44 131.82 91.21 8.21 0.57 82.32 8.03 0.79 0.21 0.36 0.00 3.90 4.39 96 R C C 126.90 5.18 21.50 27.75 127.23 -172.10 -123.71 147.93 83.26 15.51 1.22 78.76 3.53 0.88 0.49 0.69 0.00 9.43 6.20 97 K C C 98.48 11.87 14.84 26.92 113.88 -105.87 -72.05 142.83 69.71 11.60 18.69 54.33 8.28 6.46 2.64 17.11 0.00 9.05 2.14 98 A C C 56.61 10.34 11.56 22.58 101.06 -121.56 -74.05 -18.35 76.09 2.90 21.01 37.53 16.34 19.95 1.23 22.47 0.00 1.89 0.57 99 S C C 81.48 3.05 12.56 16.85 104.34 70.67 -86.18 12.70 79.90 1.99 18.10 60.26 3.63 15.42 1.61 17.27 0.00 1.29 0.52 100 W C C 135.77 8.86 11.65 21.36 102.88 84.39 -85.11 9.68 99.80 0.12 0.08 99.60 0.17 0.11 0.02 0.01 0.00 0.06 0.02