# 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 90.07 9.19 13.64 23.64 116.76 -164.31 -95.45 138.92 99.84 0.11 0.05 99.77 0.10 0.04 0.02 0.00 0.00 0.04 0.02 1 A C C 57.08 6.38 13.25 20.94 113.68 -126.12 -83.46 141.17 77.81 3.58 18.61 75.23 1.39 4.00 7.28 8.57 0.00 1.97 1.56 2 L H G 86.70 11.29 10.48 21.80 98.14 -129.19 -70.91 -24.84 42.45 3.42 54.13 23.49 8.73 11.51 7.50 45.67 0.01 2.35 0.75 3 E H G 136.68 3.12 14.32 18.62 96.77 64.59 -77.14 -13.13 44.70 3.26 52.04 22.20 9.70 13.75 7.38 43.99 0.01 2.23 0.75 4 T C G 86.18 4.62 15.88 21.45 103.82 57.44 -96.41 14.48 48.86 3.91 47.23 25.59 11.79 13.27 6.13 39.63 0.02 2.29 1.28 5 V C S 32.62 19.52 9.53 27.81 116.42 123.70 -87.55 133.01 98.17 1.33 0.50 39.70 58.31 0.40 0.30 0.13 0.00 0.40 0.76 6 P C C 44.87 9.81 14.14 25.71 113.29 -106.10 -64.72 147.53 97.33 0.77 1.89 94.81 1.65 1.23 0.70 0.82 0.00 0.32 0.47 7 K C T 158.87 2.50 14.85 18.74 95.01 -130.19 -71.34 -24.49 84.23 0.71 15.06 12.79 28.67 43.35 3.50 10.75 0.01 0.30 0.64 8 D C T 84.54 4.80 16.12 21.90 111.65 60.40 -99.22 112.92 81.77 0.96 17.27 23.16 16.05 42.96 3.96 12.73 0.00 0.40 0.74 9 L H G 49.11 18.41 11.32 28.60 96.45 -167.55 -79.01 -8.75 44.25 0.82 54.93 27.38 5.30 8.95 3.68 54.02 0.00 0.46 0.20 10 R H G 131.84 7.25 17.10 25.53 97.02 89.90 -70.82 -14.39 45.41 0.88 53.70 9.92 7.88 25.92 2.85 52.63 0.00 0.50 0.29 11 H H G 116.09 6.22 20.50 27.35 96.58 44.56 -89.77 15.07 42.86 1.56 55.58 10.99 7.39 23.38 2.40 54.49 0.00 1.04 0.31 12 L C C 21.70 20.48 16.21 36.67 116.82 129.75 -77.86 138.50 85.71 11.46 2.83 70.69 13.29 1.82 0.72 2.24 0.00 9.29 1.94 13 R E E 60.82 15.21 26.27 40.85 127.57 -167.82 -120.50 144.25 36.27 62.77 0.97 31.71 2.80 0.70 0.61 0.50 0.00 49.66 14.03 14 A E E 6.32 23.05 23.03 45.58 121.50 -121.30 -85.86 149.07 11.65 88.10 0.26 9.89 0.61 0.06 0.27 0.05 0.00 48.24 40.88 15 C C C 4.18 23.71 20.24 44.66 110.46 -107.66 -70.41 132.99 76.69 23.13 0.18 77.28 0.92 0.22 0.06 0.08 0.00 17.53 3.91 16 L C T 52.87 15.32 24.19 39.52 92.66 -137.65 -66.32 -28.50 99.38 0.26 0.36 0.59 6.24 92.58 0.02 0.33 0.00 0.18 0.06 17 L C T 52.45 15.43 23.87 38.23 98.77 44.30 -83.26 -36.23 99.44 0.18 0.38 0.22 4.06 95.22 0.01 0.34 0.00 0.08 0.06 18 C C T 20.20 18.80 21.51 39.37 103.29 18.74 -108.67 -7.06 99.35 0.29 0.37 2.48 10.84 86.00 0.03 0.39 0.00 0.15 0.11 19 S C C 33.11 16.73 22.70 38.29 95.05 -131.99 69.63 10.29 98.64 1.23 0.13 50.14 36.70 11.91 0.03 0.12 0.00 0.77 0.32 20 L C C 30.56 16.81 24.44 41.05 117.97 134.56 -87.82 137.53 74.49 25.42 0.08 46.72 28.55 0.87 0.02 0.09 0.00 20.59 3.16 21 V E E 12.63 23.09 20.80 43.49 115.06 -136.54 -93.71 125.08 7.80 92.16 0.04 6.16 0.58 0.02 0.06 0.01 0.00 54.91 38.27 22 K E E 31.43 16.44 22.24 38.43 136.78 171.23 -135.04 161.10 43.13 56.83 0.03 39.80 3.29 0.07 0.01 0.02 0.00 52.90 3.90 23 T C C 41.01 9.00 24.01 33.67 119.85 -100.95 -76.36 157.70 79.68 20.23 0.09 79.10 1.64 0.06 0.05 0.02 0.00 17.81 1.32 24 I H H 42.33 18.78 14.79 33.29 91.62 -110.30 -57.63 -39.65 2.50 0.01 97.49 0.35 0.32 1.68 95.16 2.48 0.00 0.01 0.00 25 D H H 96.82 2.08 22.30 23.50 91.38 52.64 -63.44 -40.09 1.51 0.01 98.48 0.16 0.13 1.14 95.44 3.12 0.00 0.01 0.00 26 Q H H 60.34 7.52 19.43 28.08 91.97 48.55 -66.13 -40.06 0.90 0.01 99.09 0.12 0.08 0.64 95.73 3.42 0.00 0.01 0.00 27 F H H 4.65 25.10 11.66 36.86 91.56 51.14 -63.63 -42.84 1.50 0.02 98.48 0.26 0.17 1.02 96.87 1.65 0.00 0.01 0.00 28 E H H 87.01 11.21 17.27 28.64 92.40 50.07 -65.76 -38.86 6.70 0.05 93.25 0.54 0.48 5.74 91.09 2.06 0.03 0.02 0.02 29 Y H H 170.37 1.23 19.72 19.33 97.58 39.07 -79.86 -37.02 15.10 0.05 84.85 0.53 1.07 13.46 83.31 1.54 0.04 0.02 0.03 30 D H H 85.72 5.02 18.20 23.80 101.64 23.18 -107.19 -9.73 35.43 0.25 64.33 3.56 7.01 24.60 63.39 1.12 0.07 0.07 0.18 31 G C C 15.01 13.85 16.92 31.31 126.75 -130.26 90.75 -177.90 97.65 1.22 1.13 67.75 7.78 22.27 0.55 0.40 0.00 0.53 0.71 32 C C C 11.63 20.66 14.36 35.21 117.74 -85.25 -80.26 142.30 97.98 1.47 0.55 94.69 2.85 0.34 0.32 0.13 0.00 0.46 1.19 33 D C T 100.69 3.38 22.14 26.18 92.24 -123.45 -63.61 -30.49 61.93 0.51 37.56 3.97 8.66 49.10 19.52 17.90 0.11 0.26 0.48 34 N C T 53.73 12.45 19.09 31.70 93.41 53.42 -80.42 -15.94 59.94 0.52 39.55 2.46 5.67 50.65 22.64 17.60 0.21 0.27 0.50 35 C H H 4.46 24.42 13.72 38.11 97.36 54.49 -90.95 -21.22 37.06 1.22 61.72 10.01 5.29 20.46 37.89 24.94 0.10 0.63 0.69 36 D H H 66.94 10.95 18.70 29.93 92.52 72.05 -61.12 -41.97 9.71 0.14 90.15 2.07 1.08 5.62 65.25 25.83 0.02 0.09 0.04 37 A H H 64.08 2.99 22.41 24.71 92.25 50.20 -65.83 -39.13 7.40 0.06 92.54 0.59 0.53 5.35 67.03 26.42 0.02 0.04 0.02 38 Y H H 56.98 15.37 18.03 33.06 94.12 47.18 -70.80 -37.60 8.63 0.08 91.29 0.79 0.74 6.27 68.58 23.51 0.03 0.05 0.02 39 L H H 16.32 21.57 14.76 35.97 94.12 53.95 -79.16 -13.33 29.83 1.21 68.96 7.47 5.73 16.96 50.52 17.78 0.27 0.57 0.71 40 Q C T 121.43 4.06 22.30 26.98 96.02 -134.24 46.56 33.38 65.77 1.62 32.61 18.65 7.99 39.23 18.65 13.45 0.07 0.73 1.23 41 M C C 32.33 17.64 12.54 30.33 95.37 126.28 -89.69 -0.36 83.30 2.31 14.39 53.26 10.60 19.39 6.25 7.60 0.00 0.85 2.05 42 K C T 126.05 6.97 15.56 24.50 108.71 132.43 -60.13 124.19 97.28 0.56 2.16 3.85 5.71 87.93 0.77 1.06 0.00 0.25 0.42 43 G C T 59.42 2.53 16.63 19.38 94.92 10.10 79.87 1.45 98.75 0.13 1.12 1.39 10.13 87.47 0.15 0.73 0.00 0.07 0.06 44 N C C 67.75 7.82 14.86 24.18 108.05 105.62 -110.07 85.62 99.01 0.50 0.49 95.66 3.15 0.28 0.27 0.11 0.00 0.16 0.37 45 R H H 117.00 11.36 13.27 25.35 94.24 173.22 -64.53 -35.09 9.81 0.11 90.09 2.57 1.45 5.45 76.29 14.12 0.02 0.05 0.05 46 E H H 132.22 1.91 19.48 21.04 91.75 57.63 -64.50 -38.66 4.51 0.04 95.45 0.45 0.38 3.21 80.34 15.58 0.01 0.02 0.01 47 M H H 56.75 10.08 17.51 28.70 92.37 49.92 -66.95 -37.48 1.99 0.03 97.98 0.29 0.18 1.32 83.39 14.78 0.00 0.03 0.00 48 V H H 4.89 24.86 13.40 38.14 92.26 52.51 -65.07 -41.40 3.24 0.09 96.67 0.69 0.40 2.00 87.09 9.74 0.01 0.07 0.02 49 Y H H 98.03 12.37 20.27 32.28 92.00 53.55 -68.08 -30.85 19.98 0.57 79.45 2.72 2.36 14.48 69.70 9.95 0.19 0.34 0.25 50 D H H 97.35 3.50 23.93 27.54 94.20 55.64 -80.22 -15.23 46.82 0.92 52.26 5.93 7.17 33.09 46.52 6.21 0.16 0.51 0.42 51 C C C 21.95 18.98 18.63 37.01 100.01 59.75 -93.15 1.27 76.40 6.89 16.71 48.19 13.66 14.47 12.52 4.61 0.03 4.15 2.36 52 T C C 16.87 22.72 16.91 38.84 126.24 91.96 -100.57 152.27 58.45 38.25 3.30 43.76 9.61 2.84 2.22 1.27 0.06 16.94 23.30 53 S C C 18.33 15.54 19.58 35.59 122.82 -126.03 -91.47 154.59 66.74 31.42 1.84 54.56 8.60 2.08 0.86 1.15 0.00 24.12 8.62 54 S C S 73.24 7.31 20.75 29.08 93.41 -132.16 -77.58 -15.94 81.11 18.02 0.86 11.40 53.23 15.80 0.09 0.76 0.00 17.89 0.83 55 S C E 60.10 6.70 22.83 29.94 112.37 61.15 -104.32 90.76 66.99 32.05 0.97 24.29 25.88 17.39 0.13 0.95 0.00 30.19 1.16 56 F E E 16.34 24.31 12.98 36.82 126.59 119.83 -115.29 144.51 39.24 60.60 0.17 35.96 2.61 0.28 0.05 0.14 0.00 58.53 2.44 57 D E E 77.88 6.99 25.64 33.01 112.63 -165.30 -110.30 98.43 29.70 70.21 0.09 22.29 7.20 0.62 0.02 0.08 0.00 68.81 0.97 58 G E E 10.72 14.51 22.94 37.50 140.32 25.26 143.51 -173.26 11.74 88.23 0.04 6.47 5.10 0.39 0.00 0.03 0.00 87.88 0.13 59 I E E 29.05 18.19 24.78 42.45 127.20 -74.86 -120.99 142.41 1.97 98.03 0.00 1.76 0.11 0.01 0.00 0.00 0.00 98.06 0.06 60 I E E 5.55 24.62 23.35 47.77 118.12 -153.20 -108.56 128.32 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.59 0.02 61 A E E 11.75 18.59 26.69 44.68 122.80 -167.95 -117.09 134.01 0.73 99.26 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.29 0.04 62 M E E 15.16 21.78 20.99 42.26 114.96 -158.42 -107.43 120.62 11.95 88.02 0.02 10.04 1.55 0.09 0.00 0.02 0.00 87.90 0.41 63 M C S 65.09 12.39 22.35 34.49 102.21 175.29 -97.17 -24.80 82.93 17.02 0.05 33.82 48.85 0.73 0.01 0.05 0.00 15.85 0.69 64 S C C 40.71 7.49 21.79 30.30 114.68 47.78 -118.93 110.23 98.71 1.25 0.03 75.27 23.47 0.21 0.01 0.02 0.00 0.67 0.34 65 P C T 40.48 18.13 12.36 30.18 92.75 -156.42 -62.88 -28.78 60.90 0.20 38.90 1.57 4.38 51.32 0.90 41.65 0.00 0.10 0.08 66 E C T 141.29 2.46 18.32 21.37 92.24 60.57 -71.06 -24.50 60.86 0.07 39.07 0.39 2.23 56.94 0.96 39.42 0.00 0.03 0.04 67 D C G 101.48 3.15 18.27 21.85 100.33 34.79 -105.96 1.81 54.94 0.27 44.79 2.89 4.99 43.39 1.06 47.42 0.00 0.14 0.11 68 S C C 12.70 20.70 10.08 30.08 115.58 109.26 -86.35 133.61 96.90 0.94 2.16 83.90 11.84 0.65 1.85 0.36 0.00 0.18 1.21 69 W H H 119.10 6.07 22.69 29.69 94.12 -149.93 -67.01 -34.10 7.39 0.07 92.53 0.73 1.96 5.16 90.35 1.66 0.07 0.01 0.06 70 V H H 14.69 18.99 18.86 37.95 92.14 53.87 -65.45 -41.45 2.61 0.01 97.38 0.14 0.21 2.25 93.89 3.49 0.01 0.00 0.00 71 S H H 6.20 21.22 14.96 36.41 91.65 52.17 -64.63 -39.21 1.07 0.00 98.92 0.09 0.06 0.84 93.59 5.41 0.00 0.00 0.00 72 K H H 124.36 4.49 20.24 25.60 92.51 52.25 -65.87 -38.47 2.28 0.01 97.72 0.13 0.12 1.97 92.42 5.34 0.00 0.00 0.00 73 W H H 126.21 8.02 18.96 27.32 93.88 47.12 -78.01 -29.88 16.19 0.05 83.76 0.53 1.04 15.17 80.40 2.73 0.07 0.02 0.04 74 Q C T 46.47 16.63 14.40 30.41 102.24 58.08 -94.03 4.21 80.64 1.11 18.25 10.06 19.46 49.80 17.29 2.11 0.04 0.41 0.83 75 R C C 140.77 5.53 19.60 25.92 97.88 -126.20 51.01 54.86 93.84 1.57 4.59 55.55 5.33 33.31 2.44 1.70 0.00 0.84 0.84 76 V C C 29.99 19.23 10.21 28.35 100.98 157.90 -86.83 -2.74 84.97 5.94 9.08 67.54 7.01 9.42 2.68 6.48 0.00 2.44 4.44 77 S C T 85.04 2.80 16.65 20.41 94.96 77.69 -73.11 -18.49 88.82 1.86 9.32 11.28 19.55 56.93 1.09 9.08 0.00 0.98 1.09 78 N C T 112.91 2.72 17.67 20.67 99.27 41.87 -97.06 4.06 90.57 1.57 7.86 10.72 24.94 54.11 0.59 8.11 0.00 0.92 0.60 79 F C C 56.72 18.81 10.52 27.93 120.81 97.53 -93.71 144.43 86.24 12.55 1.21 64.28 18.22 2.71 0.33 1.06 0.00 4.72 8.68 80 K C C 110.65 5.62 22.56 28.82 120.83 -140.37 -106.30 135.71 92.46 7.50 0.05 83.54 9.37 0.18 0.01 0.03 0.00 4.75 2.11 81 P C C 56.95 14.11 18.61 32.26 114.78 -102.58 -65.66 145.34 93.52 6.41 0.07 59.36 32.90 1.40 0.01 0.08 0.00 5.74 0.51 82 G E E 11.09 15.08 22.36 37.48 140.17 99.15 146.30 -172.06 39.97 59.97 0.06 18.67 21.32 0.96 0.01 0.07 0.00 58.18 0.80 83 V E E 34.27 17.39 22.62 39.57 126.11 -65.02 -120.77 137.38 3.93 96.07 0.00 3.44 0.32 0.01 0.00 0.00 0.00 96.00 0.23 84 Y E E 25.85 20.38 22.94 42.46 131.96 -174.22 -132.13 148.09 0.60 99.40 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.41 0.02 85 A E E 20.29 18.71 23.60 41.54 118.39 -134.50 -96.92 133.03 0.49 99.51 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 86 V E E 14.00 21.33 21.15 41.86 126.73 -171.83 -124.09 140.21 0.62 99.38 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.39 0.01 87 S E E 37.74 12.06 24.88 37.00 118.03 -144.69 -104.08 132.16 1.04 98.96 0.00 0.96 0.04 0.00 0.00 0.00 0.00 98.95 0.04 88 V E E 14.20 21.97 15.86 37.79 124.85 -169.27 -120.18 137.00 5.16 94.84 0.01 4.96 0.21 0.02 0.00 0.00 0.00 94.41 0.39 89 T E E 72.07 6.97 22.67 30.34 125.44 -168.02 -121.17 142.18 17.94 82.02 0.04 13.88 3.72 0.35 0.01 0.04 0.00 81.38 0.62 90 G E E 24.33 7.11 20.71 29.28 141.57 77.17 156.11 -172.68 42.33 57.61 0.06 19.12 23.52 1.12 0.01 0.06 0.00 55.26 0.91 91 R C C 141.74 4.87 21.88 27.89 123.00 -60.84 -109.12 141.87 63.69 36.24 0.06 57.92 4.89 0.24 0.02 0.06 0.00 33.02 3.86 92 L C C 19.86 22.80 11.38 33.79 114.70 -112.59 -75.10 140.88 94.77 5.19 0.04 94.02 1.26 0.04 0.02 0.01 0.00 3.94 0.70 93 P C C 38.43 9.78 16.63 28.19 113.65 -105.16 -63.79 146.41 99.11 0.68 0.20 99.09 0.26 0.05 0.14 0.01 0.00 0.28 0.16 94 Q H H 136.75 2.40 16.70 20.18 92.38 -110.25 -58.80 -35.58 3.22 0.00 96.77 0.26 0.32 2.43 96.36 0.62 0.00 0.00 0.00 95 G H H 38.53 3.39 17.88 21.67 92.84 52.88 -63.08 -35.19 2.23 0.00 97.76 0.21 0.14 1.78 97.02 0.85 0.00 0.00 0.00 96 I H H 23.50 17.04 14.99 32.20 92.90 51.27 -67.10 -41.93 0.28 0.00 99.72 0.05 0.02 0.16 99.44 0.33 0.00 0.00 0.00 97 V H H 34.61 14.97 15.58 30.82 91.62 51.24 -62.57 -42.67 0.10 0.00 99.90 0.01 0.01 0.05 99.87 0.05 0.00 0.00 0.00 98 R H H 141.77 1.37 21.58 20.61 91.67 50.25 -63.78 -41.52 0.12 0.00 99.88 0.01 0.01 0.07 99.87 0.04 0.00 0.00 0.00 99 E H H 73.30 5.87 18.32 25.31 91.65 49.79 -64.47 -41.31 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 100 L H H 10.27 20.01 11.57 31.86 91.73 50.14 -64.36 -41.97 0.40 0.00 99.60 0.04 0.02 0.29 99.42 0.23 0.00 0.00 0.00 101 K H H 119.46 5.62 15.20 22.36 91.27 51.23 -63.44 -39.85 1.07 0.00 98.93 0.06 0.04 0.88 98.22 0.80 0.00 0.00 0.00 102 S H H 92.44 0.87 15.51 15.18 90.11 54.84 -66.14 -24.91 12.64 0.01 87.34 0.21 0.27 12.92 85.48 1.10 0.01 0.00 0.01 103 R C T 123.17 6.15 12.39 20.18 93.74 52.23 -90.78 3.51 87.07 0.02 12.92 0.20 0.75 86.43 12.05 0.56 0.00 0.00 0.01 104 G C T 60.58 1.05 17.44 17.20 95.27 -105.64 81.61 15.59 99.88 0.01 0.11 0.73 0.90 98.32 0.03 0.02 0.00 0.01 0.00 105 V C C 31.75 16.99 8.98 25.68 115.93 141.45 -97.69 129.14 96.13 3.82 0.04 95.75 0.96 0.07 0.01 0.02 0.00 2.63 0.58 106 A C C 67.05 3.36 22.38 25.47 115.24 -136.90 -84.61 135.35 87.09 12.81 0.10 87.43 0.69 0.15 0.02 0.05 0.00 10.85 0.81 107 Y C C 72.82 19.58 12.13 30.53 119.92 -146.81 -99.53 137.11 75.17 24.58 0.25 73.35 2.16 0.28 0.11 0.12 0.00 18.16 5.82 108 K C C 87.29 8.15 18.49 27.53 124.78 -165.68 -117.35 142.52 80.04 19.67 0.29 74.67 4.61 0.46 0.13 0.18 0.00 14.71 5.25 109 S C C 51.02 7.53 17.22 25.69 114.64 -105.53 -69.47 148.03 87.56 11.19 1.25 80.82 4.99 1.56 0.51 0.68 0.00 8.16 3.28 110 R C T 102.20 13.58 12.12 25.51 94.55 -114.33 -64.00 -28.90 72.69 1.98 25.32 19.84 17.45 36.51 8.03 15.95 0.03 0.99 1.20 111 D C T 102.27 3.92 14.99 19.84 94.62 61.15 -77.95 -9.76 71.88 1.24 26.88 14.77 15.06 42.64 9.02 17.01 0.03 0.62 0.86 112 T C C 84.91 4.16 14.27 19.46 100.78 59.32 -93.40 -1.23 67.82 4.04 28.14 27.46 16.55 25.41 9.84 16.67 0.07 2.04 1.96 113 A C C 44.51 12.08 9.11 21.40 110.06 103.20 -82.86 122.33 75.25 7.81 16.93 47.66 16.30 11.51 10.10 6.77 0.03 4.65 2.97 114 I C C 106.10 5.44 11.19 18.30 113.45 -136.46 -95.13 122.74 77.54 11.86 10.60 50.68 18.40 8.34 6.69 4.11 0.03 7.94 3.80 115 K C C 145.53 3.33 10.70 16.06 112.41 -151.23 -92.57 123.79 90.15 6.36 3.49 84.90 2.13 3.45 2.14 0.96 0.00 4.61 1.81 116 T C C 93.80 4.49 11.18 17.51 113.33 -131.45 -94.43 131.32 99.88 0.10 0.02 99.79 0.09 0.05 0.01 0.00 0.00 0.06 0.01