# 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 111.72 6.50 14.65 22.38 117.52 -166.07 -102.65 133.75 99.70 0.28 0.02 99.61 0.14 0.05 0.01 0.00 0.00 0.14 0.04 1 A C C 71.86 6.63 11.80 19.93 112.00 -121.74 -78.61 137.22 93.72 3.58 2.69 82.54 1.91 9.62 0.83 1.43 0.00 2.64 1.03 2 G C C 44.65 6.30 12.76 20.31 112.85 7.18 17.99 160.22 92.84 4.11 3.05 52.84 19.46 20.42 0.45 3.01 0.00 2.78 1.04 3 R C C 155.51 4.54 14.70 20.80 109.83 -79.82 -86.56 113.03 88.45 6.94 4.62 44.07 22.67 21.99 0.56 4.49 0.00 4.79 1.43 4 G C C 34.12 10.03 15.71 26.14 117.14 -21.91 83.68 9.58 83.71 13.40 2.89 42.79 23.40 17.80 0.28 3.03 0.00 11.57 1.12 5 K C C 81.93 12.70 19.61 32.07 120.16 -100.73 -101.97 141.42 62.63 35.95 1.43 48.51 10.90 2.61 0.21 1.32 0.00 35.34 1.11 6 L E E 33.65 17.56 22.07 39.16 117.73 -130.26 -96.08 132.98 21.01 78.87 0.12 18.96 1.72 0.14 0.04 0.07 0.00 78.44 0.61 7 I E E 5.57 24.15 23.92 47.66 121.65 -164.63 -115.05 131.56 3.59 96.39 0.03 3.23 0.24 0.02 0.01 0.01 0.00 96.41 0.08 8 A E E 3.34 23.41 28.09 50.68 123.02 -161.87 -113.39 135.17 0.53 99.47 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.48 0.01 9 V E E 1.36 26.57 27.80 53.87 122.36 -164.89 -116.89 131.32 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 10 I E E 7.26 23.77 27.76 50.36 121.06 -167.51 -115.66 128.42 2.09 97.89 0.02 1.77 0.17 0.02 0.01 0.01 0.00 97.96 0.07 11 G E E 7.29 17.68 24.36 42.36 144.79 86.11 161.80 -173.86 41.52 58.44 0.04 16.99 24.12 0.71 0.00 0.04 0.00 57.81 0.33 12 D C C 57.06 8.70 24.51 33.59 117.31 -42.18 -76.15 150.19 94.59 5.26 0.16 81.94 12.49 0.35 0.08 0.07 0.00 4.56 0.52 13 E H H 98.38 12.71 16.50 29.11 92.11 -110.07 -59.03 -38.04 8.12 0.03 91.84 0.64 1.29 6.55 89.47 1.98 0.04 0.01 0.02 14 D H H 103.10 2.65 22.69 25.09 91.89 52.66 -66.01 -37.66 7.30 0.03 92.67 0.39 0.62 6.75 89.80 2.39 0.04 0.01 0.01 15 T H H 31.14 15.76 19.29 34.66 95.10 42.60 -74.54 -38.36 5.64 0.09 94.26 0.64 0.55 4.68 90.96 3.03 0.04 0.06 0.02 16 V H H 3.52 25.86 15.90 41.93 91.97 51.91 -64.77 -42.67 2.62 0.14 97.24 0.75 0.41 1.55 96.47 0.70 0.01 0.08 0.03 17 T H H 60.48 8.67 23.93 32.81 91.74 51.53 -63.26 -42.24 2.30 0.06 97.64 0.41 0.23 1.69 96.86 0.74 0.01 0.04 0.01 18 G H H 27.65 7.12 23.83 31.34 91.75 50.73 -63.81 -42.20 3.07 0.03 96.90 0.23 0.24 2.65 95.54 1.29 0.02 0.02 0.01 19 F H H 9.35 23.90 18.53 42.03 92.34 49.58 -65.48 -42.23 1.71 0.03 98.25 0.21 0.16 1.32 96.12 2.14 0.02 0.02 0.01 20 L H H 42.69 18.99 19.42 37.17 91.51 51.57 -63.23 -41.18 2.14 0.05 97.82 0.28 0.18 1.64 94.70 3.14 0.02 0.03 0.01 21 L H H 110.47 4.81 22.30 27.46 90.58 53.96 -66.55 -27.85 11.07 0.07 88.86 0.44 0.51 10.56 84.91 3.46 0.06 0.03 0.03 22 G C T 31.02 10.56 18.87 30.10 92.75 54.48 -85.37 -6.06 69.93 0.09 29.98 0.53 1.88 67.17 28.21 2.08 0.02 0.03 0.08 23 G C T 29.43 10.88 22.00 33.00 99.54 -100.46 93.38 9.39 99.19 0.14 0.67 3.70 4.44 91.23 0.31 0.19 0.00 0.08 0.05 24 I C C 16.33 22.70 17.57 39.82 109.19 131.24 -87.48 107.35 93.07 5.98 0.95 76.27 13.26 3.32 0.34 0.64 0.00 3.54 2.62 25 G C C 17.20 16.15 21.06 36.18 124.91 46.75 130.63 -171.62 75.84 22.13 2.03 46.29 23.68 6.39 0.52 1.78 0.01 15.77 5.56 26 E C C 78.40 10.75 21.67 32.47 120.63 -72.55 -103.30 138.29 53.01 44.59 2.39 38.74 9.39 2.97 1.09 1.62 0.03 30.15 16.00 27 L C C 52.09 15.16 14.07 29.27 115.34 -153.06 -99.49 127.40 59.56 37.53 2.91 38.68 15.21 4.97 1.37 1.94 0.06 24.73 13.04 28 N C C 61.88 7.41 13.51 22.36 126.75 -77.84 -109.13 170.54 79.01 17.98 3.01 50.78 18.53 9.76 0.83 2.41 0.01 12.46 5.23 29 K C T 162.57 2.10 11.73 15.34 93.53 -92.63 -65.54 -24.86 92.06 2.06 5.88 10.81 24.24 56.96 0.70 5.24 0.00 1.27 0.79 30 N C T 123.05 1.23 12.77 13.72 96.08 50.81 -89.31 1.71 94.42 1.07 4.51 9.95 23.61 60.47 0.42 4.48 0.00 0.64 0.42 31 R C S 137.97 7.56 11.07 19.96 96.40 -114.29 63.50 28.92 83.94 12.40 3.65 27.44 41.85 14.87 0.55 3.36 0.01 7.03 4.89 32 H C C 111.81 4.23 16.42 22.04 118.34 146.64 -96.52 135.76 84.86 14.93 0.21 62.94 21.29 1.02 0.07 0.19 0.00 11.37 3.14 33 P C C 55.89 13.22 15.57 28.94 113.54 -107.41 -67.19 146.04 74.10 24.90 0.99 63.51 6.84 2.55 0.31 0.83 0.00 18.37 7.60 34 N C C 38.71 16.38 18.25 34.30 100.88 -153.21 -92.60 2.19 82.54 16.18 1.28 41.22 36.10 6.01 0.19 1.27 0.00 13.58 1.63 35 F E E 36.71 19.27 18.60 37.38 130.71 55.69 -128.21 144.15 34.75 63.85 1.41 22.06 12.74 2.66 0.42 1.07 0.01 57.62 3.42 36 L E E 29.80 17.10 22.47 39.32 121.35 -160.23 -115.88 130.60 13.91 85.46 0.63 11.80 1.97 0.61 0.26 0.39 0.00 82.58 2.39 37 V E E 47.62 14.43 23.90 37.98 116.78 -151.18 -102.11 127.09 16.24 83.50 0.26 14.45 1.56 0.27 0.15 0.14 0.00 79.90 3.54 38 V C C 13.15 21.83 14.34 36.06 123.85 -163.73 -109.09 140.86 50.90 48.82 0.27 46.78 3.27 0.34 0.12 0.17 0.00 46.15 3.17 39 E C C 94.86 5.30 21.44 26.78 121.09 -132.89 -89.81 159.01 85.15 14.59 0.27 78.77 5.27 0.71 0.08 0.19 0.00 13.10 1.88 40 K C T 130.33 7.84 14.13 23.17 93.25 -99.78 -61.47 -28.65 98.01 1.20 0.80 3.16 13.05 81.92 0.10 0.64 0.00 0.87 0.25 41 D C T 126.27 0.83 17.83 16.77 96.09 44.36 -88.34 9.77 98.74 0.63 0.62 5.50 12.30 80.93 0.07 0.58 0.00 0.52 0.11 42 T C C 24.78 16.41 9.15 25.58 116.96 126.36 -75.13 142.87 97.71 2.02 0.26 59.76 37.66 0.51 0.10 0.13 0.00 0.79 1.04 43 T C C 70.46 2.55 22.48 23.45 120.33 -125.36 -81.24 158.82 95.04 4.66 0.30 93.55 1.37 0.11 0.22 0.04 0.00 0.97 3.72 44 I H H 57.03 17.07 12.44 29.10 91.28 -111.04 -57.47 -38.67 2.05 0.01 97.94 0.52 0.29 1.13 97.55 0.50 0.00 0.00 0.00 45 N H H 109.30 1.97 20.21 21.80 91.36 54.01 -63.60 -39.18 1.17 0.00 98.83 0.19 0.09 0.78 98.40 0.53 0.00 0.00 0.00 46 E H H 88.86 5.10 20.48 26.00 91.81 49.20 -66.08 -39.77 0.34 0.00 99.66 0.07 0.03 0.20 99.36 0.34 0.00 0.00 0.00 47 I H H 3.81 24.70 14.41 39.52 91.42 50.42 -63.35 -43.75 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 48 E H H 57.08 13.45 20.37 33.74 91.56 50.90 -62.30 -42.47 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 49 D H H 82.97 1.96 25.21 25.05 91.53 49.77 -64.10 -41.56 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 50 T H H 19.29 14.41 20.40 35.49 92.03 50.00 -64.50 -42.89 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 51 F H H 3.06 26.61 16.77 43.87 91.22 50.36 -63.46 -42.42 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 52 R H H 114.28 7.69 22.41 30.59 91.32 51.99 -62.49 -41.54 0.09 0.00 99.91 0.00 0.00 0.07 99.88 0.04 0.00 0.00 0.00 53 Q H H 95.21 3.16 23.88 26.32 91.76 50.20 -64.42 -41.02 0.31 0.00 99.69 0.01 0.01 0.30 99.49 0.20 0.00 0.00 0.00 54 F H H 10.26 21.64 16.41 38.18 92.37 48.91 -66.23 -39.88 0.96 0.00 99.04 0.02 0.03 0.91 98.45 0.58 0.00 0.00 0.00 55 L H H 33.55 19.06 16.04 34.52 91.54 56.89 -68.15 -25.03 16.67 0.01 83.32 0.29 0.40 16.40 81.96 0.93 0.01 0.00 0.01 56 N C T 121.74 1.59 20.65 21.43 93.09 55.36 -86.84 -5.59 65.28 0.04 34.68 1.40 2.05 60.17 35.02 1.32 0.00 0.01 0.03 57 R C C 80.15 13.21 11.04 24.82 113.14 99.99 -81.44 130.07 98.07 0.51 1.42 68.31 27.33 2.28 0.87 0.46 0.00 0.13 0.60 58 D C T 119.56 2.17 18.58 21.43 96.38 -150.89 -76.17 -18.61 99.10 0.30 0.60 3.86 29.97 65.31 0.05 0.54 0.00 0.18 0.09 59 D C T 70.49 10.07 18.61 28.96 97.73 53.51 -92.74 5.04 98.72 1.03 0.26 11.29 21.84 65.55 0.01 0.34 0.00 0.86 0.10 60 I E E 10.36 23.19 15.44 38.89 118.13 103.88 -100.61 128.05 40.94 59.04 0.02 40.02 0.91 0.05 0.00 0.01 0.00 58.25 0.75 61 G E E 11.62 15.51 26.17 42.17 101.23 175.44 -95.74 -35.58 39.07 60.93 0.00 26.63 11.31 0.09 0.00 0.00 0.00 61.82 0.15 62 I E E 4.10 23.99 26.44 50.07 131.30 13.82 -139.36 136.67 0.49 99.51 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.47 0.02 63 I E E 1.53 26.51 28.22 54.34 118.30 -160.66 -114.01 124.78 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 64 L E E 3.45 24.99 29.05 53.48 115.10 -158.22 -104.92 123.21 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 65 I E E 2.61 25.71 24.68 50.11 130.41 -175.23 -128.70 147.80 0.71 99.29 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.30 0.01 66 N E E 19.50 16.91 23.99 40.83 120.02 -113.70 -77.49 159.51 18.87 81.12 0.01 19.00 0.17 0.00 0.00 0.00 0.00 80.63 0.19 67 Q H H 62.22 13.94 20.04 34.17 91.55 -108.19 -58.42 -37.03 3.59 0.01 96.40 0.10 0.31 3.26 95.54 0.77 0.01 0.00 0.00 68 Y H H 116.13 4.83 24.27 29.31 91.86 53.93 -64.66 -40.21 1.35 0.00 98.64 0.05 0.06 1.23 98.18 0.48 0.00 0.00 0.00 69 I H H 14.27 19.20 19.58 38.62 92.49 48.33 -65.93 -41.58 0.30 0.00 99.70 0.02 0.01 0.23 99.34 0.40 0.00 0.00 0.00 70 A H H 5.64 23.02 15.57 38.62 91.07 53.87 -62.37 -41.99 0.13 0.00 99.87 0.01 0.00 0.09 99.68 0.22 0.00 0.00 0.00 71 E H H 112.80 3.98 22.31 26.53 91.54 51.56 -64.85 -37.69 0.85 0.00 99.15 0.01 0.01 0.90 98.66 0.41 0.00 0.00 0.00 72 M H H 88.31 7.17 20.14 27.79 92.29 50.96 -69.57 -32.60 4.38 0.00 95.61 0.03 0.07 4.93 94.52 0.45 0.00 0.00 0.00 73 V H H 9.61 21.88 13.80 36.07 99.14 38.25 -104.24 2.66 25.51 0.04 74.45 0.94 1.49 22.58 74.02 0.89 0.03 0.01 0.04 74 R H H 100.30 13.47 16.05 29.62 91.93 104.47 -57.11 -43.08 3.18 0.01 96.82 0.93 0.24 1.67 93.33 3.82 0.00 0.00 0.00 75 H H H 130.78 1.47 21.29 20.99 91.93 51.54 -64.84 -37.73 1.31 0.00 98.69 0.13 0.07 0.96 94.12 4.72 0.00 0.00 0.00 76 A H H 26.32 11.55 17.10 29.83 92.21 50.69 -65.73 -41.11 0.67 0.00 99.32 0.08 0.04 0.46 95.27 4.14 0.00 0.00 0.00 77 L H H 16.54 21.37 12.62 33.38 91.94 51.33 -65.04 -39.03 1.41 0.00 98.58 0.17 0.10 0.99 95.51 3.22 0.00 0.00 0.00 78 D H H 99.99 3.65 17.82 22.43 91.26 54.61 -68.79 -24.12 18.02 0.03 81.96 0.69 0.76 16.54 79.46 2.50 0.02 0.01 0.02 79 A C H 75.57 2.45 16.08 18.82 93.02 60.12 -80.37 -11.45 52.38 0.09 47.53 2.93 2.84 45.08 46.54 2.51 0.01 0.03 0.07 80 H C C 53.86 16.93 8.19 23.82 112.55 93.46 -84.64 126.70 86.18 0.95 12.87 63.23 11.46 10.48 11.25 2.43 0.00 0.33 0.82 81 Q C C 146.73 1.74 15.99 17.78 100.45 -172.70 -95.27 -1.19 94.41 1.10 4.49 76.28 9.97 8.21 2.74 1.56 0.00 0.49 0.75 82 Q C C 99.75 5.59 13.28 20.70 122.22 93.12 -94.83 149.64 97.56 1.02 1.41 46.03 41.36 10.36 0.36 0.95 0.00 0.49 0.47 83 S C C 79.63 4.24 16.32 21.84 109.56 -101.06 -74.18 134.19 98.10 1.16 0.74 64.76 24.91 8.42 0.12 0.70 0.00 0.66 0.44 84 I C C 51.23 16.59 12.84 29.21 118.37 -142.33 -107.23 128.16 94.06 5.84 0.10 66.22 28.33 0.40 0.03 0.07 0.00 3.44 1.50 85 P C S 50.41 11.92 19.90 32.10 109.90 -115.98 -69.16 149.93 96.94 3.00 0.06 40.56 55.13 1.33 0.01 0.06 0.00 2.77 0.15 86 A E E 28.28 15.94 20.60 36.04 125.29 -77.12 -115.12 140.80 15.54 84.30 0.16 12.47 2.76 0.43 0.03 0.13 0.00 83.78 0.41 87 V E E 34.21 19.12 20.03 38.37 120.90 -159.88 -115.98 126.54 1.49 98.50 0.01 1.37 0.10 0.01 0.00 0.00 0.00 98.34 0.17 88 L E E 28.14 17.67 22.32 39.64 120.34 -166.59 -112.81 128.07 1.11 98.88 0.00 1.02 0.06 0.01 0.00 0.00 0.00 98.87 0.05 89 E E E 68.00 14.07 24.27 37.76 114.88 -146.60 -94.99 127.25 4.71 95.29 0.00 4.44 0.23 0.01 0.00 0.00 0.00 94.96 0.35 90 I C C 17.98 21.34 17.77 38.82 117.01 -163.69 -112.52 123.43 71.74 28.24 0.02 68.88 1.73 0.07 0.01 0.02 0.00 28.77 0.54 91 P C C 42.05 10.80 19.02 30.86 115.84 -119.43 -68.61 151.91 93.40 6.45 0.15 85.04 7.46 0.77 0.03 0.14 0.00 5.77 0.79 92 S C C 33.69 11.64 14.11 26.77 121.30 -133.01 -99.87 160.73 92.14 7.41 0.45 81.95 7.89 1.14 0.17 0.27 0.00 2.30 6.28 93 K C T 151.56 3.29 12.95 18.12 93.14 -106.92 -64.88 -27.58 97.93 0.68 1.38 4.61 46.15 47.40 0.15 1.04 0.00 0.33 0.32 94 E C T 154.97 0.91 14.24 14.20 96.00 52.07 -81.44 -19.72 97.99 0.65 1.36 4.64 46.10 47.48 0.14 1.04 0.00 0.33 0.27 95 H C S 89.28 7.55 10.43 19.57 114.64 33.97 -127.01 98.43 92.95 5.64 1.42 31.80 58.30 2.85 0.42 0.85 0.00 2.45 3.33 96 P C C 79.75 5.54 13.52 20.84 111.43 -153.29 -69.43 143.69 92.53 2.40 5.06 58.73 12.29 21.50 1.29 3.74 0.00 1.39 1.06 97 Y C C 108.08 12.64 11.10 23.57 113.13 -113.88 -89.31 131.98 90.51 2.17 7.31 48.64 20.00 22.16 2.46 4.45 0.00 0.94 1.34 98 D C C 66.59 6.60 14.74 22.81 117.55 -161.71 -107.86 134.27 88.96 0.95 10.10 70.94 12.87 5.15 6.94 2.96 0.00 0.35 0.80 99 A H H 71.61 5.67 13.70 21.04 93.20 -131.25 -62.28 -29.94 45.85 0.41 53.74 14.46 7.79 24.14 44.08 9.05 0.03 0.19 0.26 100 A H H 67.24 3.42 16.20 20.28 92.49 58.75 -68.13 -30.83 38.76 0.36 60.89 12.89 5.45 20.95 52.46 7.86 0.02 0.17 0.21 101 K H H 75.59 11.32 15.09 26.91 94.04 53.49 -68.34 -36.73 22.06 0.36 77.57 12.02 4.45 6.61 70.43 6.16 0.01 0.18 0.14 102 D H H 47.72 11.98 15.28 27.85 93.77 54.98 -66.46 -38.70 18.83 0.34 80.83 12.25 2.97 4.42 77.08 2.99 0.00 0.17 0.11 103 S H H 51.69 4.35 19.18 24.03 92.63 54.25 -65.01 -39.31 12.33 0.54 87.13 7.72 2.20 3.56 83.55 2.49 0.01 0.32 0.15 104 I H H 65.76 7.10 18.70 26.76 92.32 50.92 -65.06 -42.51 6.69 0.71 92.60 3.89 1.14 2.17 90.42 1.73 0.01 0.54 0.10 105 L H H 40.20 12.97 15.82 29.60 92.32 51.05 -64.73 -41.69 5.58 1.05 93.36 3.30 0.86 1.82 91.05 1.92 0.02 0.90 0.13 106 R H H 110.46 6.56 17.40 24.91 92.16 51.45 -64.22 -41.19 6.96 1.53 91.51 3.82 1.08 2.45 89.01 2.08 0.03 1.34 0.19 107 R H H 137.06 3.26 17.21 21.08 92.26 50.37 -65.54 -39.62 7.91 1.13 90.95 3.30 1.12 3.66 88.39 2.33 0.04 0.99 0.17 108 A H H 46.97 9.33 14.03 24.38 92.49 51.83 -67.67 -33.55 13.96 0.86 85.18 3.36 1.83 8.82 82.42 2.62 0.10 0.62 0.23 109 R C T 123.11 7.02 14.31 22.35 95.12 52.22 -81.84 -7.83 55.29 0.87 43.84 3.25 3.97 45.69 42.85 3.24 0.11 0.50 0.40 110 G C T 50.98 3.87 14.78 19.80 97.31 -105.79 77.29 11.04 78.28 0.47 21.25 7.61 6.36 62.29 20.94 2.31 0.01 0.23 0.25 111 M C C 102.61 5.15 13.66 20.23 97.72 120.42 -81.75 -22.99 81.54 2.47 15.99 37.35 21.31 23.05 12.35 3.54 0.02 1.06 1.31 112 F C C 85.06 10.01 11.27 22.34 121.94 43.08 -117.12 136.44 80.10 6.37 13.53 36.82 27.67 16.06 9.52 3.73 0.06 2.67 3.47 113 T C C 63.41 4.85 14.30 20.53 123.06 -152.44 -103.87 157.51 88.52 3.07 8.41 69.47 13.58 5.00 6.26 2.53 0.00 1.50 1.66 114 A H G 66.52 6.14 10.80 18.50 94.52 -109.29 -62.50 -30.93 45.63 1.48 52.89 19.59 10.51 15.84 22.08 30.54 0.03 0.75 0.67 115 E H G 139.76 1.71 11.78 14.15 95.20 63.96 -71.16 -26.96 37.70 0.98 61.32 10.17 7.23 19.45 24.20 37.95 0.04 0.54 0.42 116 D H G 91.34 4.12 9.90 15.65 97.88 58.81 -79.50 -14.25 36.61 1.70 61.69 14.29 6.40 15.87 23.51 38.31 0.03 1.01 0.58 117 L C C 96.37 6.31 8.14 15.83 101.54 69.00 -84.01 0.29 52.15 3.00 44.84 37.80 3.58 12.20 22.99 20.27 0.01 1.74 1.42 118 R C C 157.36 3.35 11.39 16.46 104.32 90.56 -81.85 47.78 99.71 0.12 0.17 99.47 0.15 0.18 0.10 0.01 0.00 0.06 0.02