# 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 A C C 23.02 18.95 16.92 35.15 121.57 -157.52 -95.61 139.65 99.73 0.23 0.04 99.62 0.15 0.06 0.02 0.00 0.00 0.13 0.02 1 R C C 121.42 7.75 20.41 28.98 122.27 -157.48 -114.39 136.50 52.27 46.88 0.85 49.15 1.82 0.59 0.54 0.33 0.00 31.49 16.08 2 I E E 28.73 19.70 12.60 31.77 116.97 -157.42 -110.24 123.91 27.94 70.08 1.97 17.68 5.50 1.75 1.39 0.85 0.04 38.47 34.32 3 A C T 55.03 11.26 15.60 27.45 95.45 -22.06 51.00 51.40 96.41 1.48 2.11 1.15 3.48 92.41 0.25 1.38 0.00 0.92 0.41 4 G C T 58.54 2.41 17.76 20.25 95.39 -40.51 82.15 2.35 98.61 0.38 1.02 1.17 4.01 93.59 0.08 0.80 0.00 0.26 0.08 5 I E E 42.30 15.81 11.12 27.19 120.91 115.55 -104.53 135.05 34.49 64.72 0.79 22.03 9.70 2.18 0.42 0.53 0.02 37.71 27.40 6 N C C 107.27 3.28 20.95 24.62 108.70 -137.29 -90.77 110.36 68.47 31.36 0.18 60.40 6.04 1.10 0.06 0.15 0.00 28.43 3.84 7 I C C 18.25 22.66 10.01 31.79 116.44 -163.26 -100.29 125.41 96.10 3.56 0.35 92.59 3.32 0.43 0.11 0.18 0.00 2.68 0.70 8 P C C 62.45 6.45 18.74 26.07 112.40 -115.79 -67.76 148.90 92.12 1.35 6.53 73.06 6.73 11.31 0.82 6.75 0.00 0.82 0.52 9 D C T 95.45 6.87 16.66 24.49 100.32 -111.27 -74.30 5.01 87.78 0.76 11.46 12.63 27.32 47.54 1.12 10.62 0.00 0.42 0.35 10 H C T 100.04 10.18 17.06 27.45 104.64 61.89 -92.19 65.90 80.75 5.82 13.43 29.32 17.17 34.93 2.02 11.15 0.01 4.35 1.06 11 K C C 80.49 13.55 18.06 31.25 111.13 141.40 -84.97 130.69 77.54 16.77 5.70 55.86 18.72 2.80 3.22 2.47 0.00 12.53 4.39 12 H E B 63.60 14.04 24.10 37.14 115.80 -108.87 -84.39 140.21 41.93 53.98 4.09 37.30 2.35 0.61 3.93 0.40 0.00 16.40 39.02 13 A H H 3.62 25.99 20.48 46.36 93.13 -130.01 -62.29 -39.12 3.47 0.02 96.51 0.52 0.38 2.46 95.10 1.51 0.01 0.01 0.01 14 V H H 19.85 20.83 23.89 43.50 91.41 54.54 -63.78 -41.63 1.18 0.01 98.81 0.12 0.09 0.94 97.25 1.59 0.00 0.01 0.00 15 I H H 50.17 10.55 27.67 38.98 91.75 50.50 -64.57 -41.46 0.30 0.00 99.70 0.02 0.02 0.24 98.01 1.70 0.00 0.00 0.00 16 A H H 5.53 21.60 23.48 44.68 91.65 51.05 -64.49 -42.13 0.44 0.00 99.55 0.04 0.03 0.34 97.25 2.35 0.00 0.00 0.00 17 L H H 2.20 26.78 21.02 48.04 91.18 51.98 -65.70 -36.47 1.77 0.02 98.22 0.07 0.10 1.65 90.29 7.87 0.01 0.01 0.00 18 T H H 45.69 15.21 23.04 37.60 91.09 60.05 -69.69 -23.08 19.05 0.04 80.91 0.28 0.52 19.09 70.27 9.75 0.04 0.02 0.02 19 S C T 45.82 11.55 23.51 35.50 92.47 60.58 -81.62 -8.46 68.31 0.16 31.53 1.98 3.19 63.60 26.18 4.83 0.02 0.06 0.14 20 I C S 11.12 23.81 16.04 39.98 118.58 93.02 -88.47 137.36 91.66 6.64 1.69 7.04 81.07 2.57 1.45 0.17 0.02 1.12 6.57 21 Y C T 100.03 12.38 23.33 35.13 108.68 -89.05 -67.97 123.52 98.30 0.45 1.25 0.43 12.15 86.20 0.34 0.42 0.00 0.17 0.28 22 G C T 35.38 9.04 22.58 32.06 96.42 9.89 85.90 -2.69 99.55 0.10 0.35 0.95 13.57 85.15 0.10 0.14 0.00 0.05 0.03 23 V C C 8.20 24.21 12.63 36.90 116.79 112.16 -103.72 126.21 93.15 6.52 0.33 70.60 19.66 0.71 0.24 0.10 0.00 1.30 7.39 24 G C C 27.54 6.23 23.86 30.04 126.39 -159.06 -93.19 167.50 99.38 0.40 0.22 98.35 1.01 0.11 0.16 0.02 0.00 0.11 0.24 25 K H H 109.03 12.32 16.28 28.46 92.11 -99.37 -60.00 -37.84 3.74 0.01 96.26 0.56 0.61 2.05 96.51 0.26 0.00 0.00 0.00 26 T H H 91.33 2.10 23.11 24.24 91.82 52.29 -64.49 -40.98 1.99 0.00 98.01 0.28 0.19 1.25 98.03 0.24 0.00 0.00 0.00 27 R H H 77.77 12.49 21.08 33.26 92.20 48.13 -66.57 -40.54 0.40 0.00 99.60 0.09 0.03 0.20 99.55 0.14 0.00 0.00 0.00 28 S H H 2.28 25.78 15.65 41.87 91.09 51.06 -62.82 -42.99 0.10 0.00 99.90 0.02 0.00 0.04 99.92 0.02 0.00 0.00 0.00 29 K H H 97.64 9.86 23.82 33.71 91.28 51.15 -62.99 -41.21 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 30 A H H 47.29 4.62 25.78 30.60 91.55 50.96 -63.72 -42.64 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 31 I H H 6.98 21.85 21.00 42.74 91.58 48.87 -64.29 -44.08 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 32 L H H 5.87 23.73 18.17 41.89 91.39 50.00 -62.85 -43.36 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 33 A H H 66.54 4.61 22.82 27.92 91.47 50.55 -63.18 -40.92 0.14 0.00 99.86 0.00 0.00 0.11 99.83 0.05 0.00 0.00 0.00 34 A H H 61.06 7.28 20.71 28.75 90.66 52.83 -65.72 -30.64 1.91 0.00 98.09 0.02 0.02 2.06 97.78 0.12 0.00 0.00 0.00 35 A C T 15.35 19.37 14.81 34.41 92.81 49.98 -87.92 -2.80 65.40 0.01 34.60 0.11 0.44 65.51 33.55 0.38 0.00 0.00 0.01 36 G C T 53.30 2.39 23.18 25.51 94.19 -111.99 76.14 20.31 99.90 0.00 0.10 0.63 0.45 98.88 0.03 0.01 0.00 0.00 0.00 37 I C C 14.19 22.91 10.75 33.17 120.49 139.69 -103.01 138.55 99.27 0.65 0.07 96.68 2.43 0.07 0.03 0.02 0.00 0.15 0.61 38 A C C 52.61 4.61 23.15 27.51 115.40 -112.36 -72.42 145.92 99.29 0.51 0.21 98.72 0.50 0.20 0.04 0.09 0.00 0.16 0.30 39 E C T 87.19 16.04 13.34 28.75 92.65 -124.52 -64.36 -25.91 99.39 0.21 0.40 1.20 5.84 92.40 0.04 0.33 0.00 0.12 0.08 40 D C T 114.68 1.71 20.56 21.80 94.52 56.76 -90.05 2.08 99.49 0.21 0.30 1.72 4.87 92.88 0.02 0.34 0.00 0.15 0.03 41 V C C 26.16 15.41 13.00 29.66 116.21 123.45 -72.10 140.65 99.23 0.73 0.04 70.30 28.93 0.13 0.01 0.03 0.00 0.32 0.29 42 K E B 86.83 6.02 23.98 30.23 116.39 -119.90 -79.14 143.52 34.72 65.24 0.05 31.32 0.34 0.01 0.03 0.00 0.00 4.39 63.89 43 I H G 10.13 24.99 12.60 37.94 91.18 -119.30 -58.12 -36.59 6.33 0.05 93.62 0.38 0.46 4.28 0.48 94.36 0.00 0.04 0.00 44 S H G 65.35 8.03 19.56 28.51 89.68 62.77 -68.33 -18.74 5.85 0.02 94.13 0.10 0.25 4.57 0.32 94.75 0.00 0.01 0.00 45 E H G 125.58 2.97 21.11 24.16 94.13 55.31 -92.55 -3.50 6.54 0.03 93.43 0.31 0.55 4.18 0.36 94.58 0.00 0.01 0.00 46 L C C 13.74 23.61 7.43 29.25 118.66 107.21 -75.70 141.52 99.09 0.51 0.41 60.49 38.22 0.25 0.16 0.16 0.00 0.09 0.62 47 S C C 60.14 2.28 21.27 22.15 123.00 -128.76 -83.09 165.40 99.27 0.40 0.33 98.07 1.09 0.05 0.29 0.02 0.00 0.07 0.41 48 E H H 134.58 4.78 13.83 20.77 90.94 -100.98 -57.85 -37.71 1.51 0.00 98.49 0.15 0.21 1.02 98.02 0.59 0.00 0.00 0.00 49 G H H 48.08 1.47 18.88 18.92 91.65 53.18 -63.67 -39.77 0.95 0.00 99.05 0.08 0.07 0.71 98.30 0.84 0.00 0.00 0.00 50 Q H H 50.13 13.11 16.73 30.21 92.25 49.13 -66.92 -39.92 0.38 0.00 99.62 0.07 0.03 0.23 99.01 0.66 0.00 0.00 0.00 51 I H H 13.33 20.81 14.56 35.43 91.45 51.71 -62.83 -43.20 0.12 0.00 99.88 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 52 D H H 78.70 3.13 22.92 25.48 91.31 50.95 -63.75 -40.93 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 53 T H H 58.87 5.01 22.11 27.44 91.41 50.38 -64.29 -41.48 0.23 0.00 99.77 0.02 0.01 0.17 99.76 0.05 0.00 0.00 0.00 54 L H H 5.05 23.84 16.09 40.17 91.62 50.27 -64.09 -42.60 0.19 0.00 99.81 0.02 0.01 0.12 99.79 0.06 0.00 0.00 0.00 55 R H H 91.19 14.00 19.97 33.16 91.36 52.40 -61.67 -41.69 0.15 0.00 99.85 0.02 0.01 0.09 99.82 0.06 0.00 0.00 0.00 56 D H H 92.78 1.63 23.53 23.00 91.88 49.84 -64.72 -40.66 0.33 0.00 99.67 0.02 0.01 0.25 99.51 0.20 0.00 0.00 0.00 57 E H H 49.12 11.04 18.85 30.83 92.09 49.67 -65.46 -41.19 0.90 0.00 99.10 0.04 0.03 0.75 98.72 0.46 0.00 0.00 0.00 58 V H H 9.83 22.97 13.26 35.92 92.08 50.41 -66.58 -37.35 4.21 0.01 95.78 0.34 0.26 3.37 94.44 1.58 0.00 0.00 0.00 59 A H H 63.62 6.79 17.48 25.43 91.01 60.22 -67.79 -23.02 38.16 0.07 61.77 1.84 1.51 33.99 59.28 3.28 0.03 0.03 0.05 60 K C T 148.48 1.66 19.35 20.24 94.26 54.52 -83.65 -12.73 64.67 0.16 35.17 4.27 3.75 54.60 33.29 3.91 0.01 0.07 0.11 61 F C C 51.27 17.55 11.19 28.10 114.88 85.27 -98.49 125.17 87.07 2.98 9.95 58.02 19.96 8.68 8.00 2.56 0.01 1.75 1.01 62 V C C 93.98 5.61 19.04 26.04 117.62 -160.53 -105.23 128.14 79.26 17.99 2.76 74.87 2.61 1.71 2.10 0.72 0.00 13.42 4.57 63 V C C 34.23 18.86 10.43 28.55 120.48 -166.01 -108.71 133.31 73.97 23.71 2.32 68.24 3.67 1.37 1.84 0.70 0.00 17.73 6.45 64 E C C 135.61 2.80 17.81 21.47 116.21 -140.39 -96.42 135.99 78.60 15.07 6.33 58.61 12.93 6.55 4.71 1.95 0.02 13.02 2.20 65 G C S 37.59 4.92 16.61 22.70 129.90 45.80 127.30 -174.32 81.95 6.08 11.97 27.36 42.46 12.60 9.23 2.85 0.07 3.81 1.62 66 D C C 83.85 4.53 18.35 23.33 106.80 -43.65 -84.90 102.27 81.92 2.11 15.97 70.01 4.73 6.13 15.01 2.16 0.00 1.15 0.81 67 L H H 34.63 18.67 12.46 30.85 94.44 -167.82 -65.11 -34.51 13.03 0.16 86.81 8.56 1.77 3.35 84.54 1.64 0.00 0.07 0.06 68 R H H 116.40 9.60 17.61 27.77 91.42 56.54 -62.41 -40.81 3.74 0.04 96.22 1.49 0.51 1.74 94.91 1.30 0.00 0.02 0.01 69 R H H 140.47 2.40 20.68 22.58 92.16 49.22 -65.92 -40.11 2.10 0.03 97.86 0.95 0.28 0.92 96.63 1.19 0.00 0.02 0.01 70 E H H 72.39 9.32 19.24 29.22 92.25 50.12 -65.42 -41.33 1.29 0.02 98.69 0.58 0.16 0.56 98.13 0.56 0.00 0.01 0.00 71 I H H 20.34 19.03 16.78 35.74 92.02 49.22 -64.41 -42.74 1.34 0.02 98.64 0.52 0.14 0.62 98.36 0.35 0.00 0.01 0.01 72 S H H 42.71 8.12 20.69 29.50 91.60 51.10 -63.24 -41.83 1.66 0.01 98.33 0.49 0.14 0.87 98.19 0.30 0.00 0.00 0.00 73 M H H 86.78 3.21 23.19 25.75 91.63 50.15 -64.40 -41.40 1.28 0.00 98.71 0.32 0.12 0.73 98.59 0.24 0.00 0.00 0.00 74 S H H 17.48 14.80 19.75 35.06 91.82 50.42 -64.70 -41.77 1.39 0.00 98.61 0.26 0.10 0.88 98.56 0.20 0.00 0.00 0.00 75 I H H 21.39 19.28 18.30 37.26 91.73 50.51 -63.89 -41.84 0.57 0.00 99.43 0.08 0.04 0.35 99.43 0.10 0.00 0.00 0.00 76 K H H 117.39 3.53 23.51 26.94 91.54 51.00 -63.46 -41.58 0.28 0.00 99.72 0.04 0.02 0.16 99.71 0.08 0.00 0.00 0.00 77 R H H 106.73 5.26 22.22 27.72 91.76 49.56 -64.71 -41.13 0.44 0.00 99.56 0.04 0.02 0.30 99.49 0.14 0.00 0.00 0.00 78 L H H 12.37 19.39 15.14 34.90 91.85 50.56 -64.34 -41.72 0.51 0.00 99.49 0.06 0.03 0.33 99.29 0.29 0.00 0.00 0.00 79 M H H 71.77 12.00 16.81 29.01 91.84 50.89 -63.88 -40.93 0.97 0.00 99.02 0.10 0.05 0.70 98.48 0.67 0.00 0.00 0.00 80 D H H 113.77 1.50 20.08 20.83 90.96 52.85 -66.32 -28.57 5.73 0.00 94.27 0.15 0.19 5.33 93.74 0.58 0.00 0.00 0.00 81 L C H 69.98 9.74 15.65 26.40 93.32 53.03 -85.60 -6.64 50.87 0.03 49.10 0.44 1.40 48.44 48.85 0.82 0.01 0.01 0.03 82 G C T 40.54 5.89 20.37 27.06 98.24 -106.17 83.86 14.03 99.37 0.04 0.58 9.39 3.93 86.18 0.36 0.10 0.00 0.02 0.02 83 C C C 19.99 17.39 14.20 32.03 118.13 149.64 -78.36 149.37 96.44 1.56 2.00 89.32 6.10 0.50 1.83 0.23 0.00 0.32 1.69 84 Y H H 98.48 10.49 21.56 32.58 92.98 -127.06 -63.88 -36.85 9.13 0.06 90.81 1.38 2.08 5.91 89.48 1.07 0.03 0.02 0.03 85 R H H 88.79 11.72 21.69 33.10 92.32 54.13 -64.98 -41.75 3.73 0.02 96.25 0.38 0.40 2.83 95.42 0.95 0.01 0.01 0.00 86 G H H 7.72 13.13 17.86 32.72 91.87 51.18 -63.73 -42.40 2.32 0.02 97.65 0.53 0.26 1.40 96.46 1.33 0.00 0.01 0.00 87 L H H 41.01 9.32 19.55 30.31 91.80 49.89 -64.13 -42.31 1.51 0.02 98.47 0.35 0.19 0.86 97.71 0.87 0.00 0.01 0.00 88 R H H 66.32 9.26 17.60 28.20 92.27 49.98 -64.65 -42.25 1.78 0.03 98.19 0.41 0.22 1.07 97.45 0.82 0.01 0.01 0.01 89 H H H 72.84 10.88 15.48 27.06 92.40 49.59 -65.13 -40.95 2.04 0.02 97.94 0.29 0.14 1.44 96.51 1.60 0.00 0.01 0.00 90 R H H 131.41 6.86 16.17 24.24 91.72 50.87 -66.65 -31.57 7.41 0.02 92.56 0.30 0.34 6.70 91.08 1.54 0.02 0.01 0.01 91 R C T 134.03 4.49 15.33 20.88 93.88 48.09 -90.46 1.17 62.89 0.02 37.08 0.42 1.19 61.90 34.86 1.59 0.01 0.01 0.03 92 G C T 56.76 2.09 16.48 18.98 95.19 -107.18 80.84 14.39 99.59 0.01 0.41 1.62 1.33 96.78 0.22 0.05 0.00 0.00 0.00 93 L C C 55.64 10.48 10.76 22.83 117.27 145.25 -88.19 138.77 99.77 0.19 0.04 92.49 7.21 0.08 0.02 0.01 0.00 0.05 0.13 94 P C C 75.21 4.83 18.14 23.66 112.44 -105.12 -65.70 144.93 99.10 0.62 0.28 95.29 3.31 0.54 0.08 0.13 0.00 0.23 0.42 95 V C C 48.26 16.34 11.02 26.66 117.34 -149.48 -99.92 135.74 84.72 13.37 1.90 73.25 7.69 1.65 0.96 0.82 0.00 2.84 12.79 96 R C T 143.07 5.48 15.73 22.26 109.25 -106.40 -72.96 126.72 83.99 4.55 11.45 23.02 27.14 34.81 5.19 5.15 0.04 2.09 2.56 97 G C T 45.15 5.58 14.23 20.76 100.88 11.50 80.83 -1.98 82.80 1.68 15.52 16.97 26.05 40.67 7.62 6.81 0.03 0.72 1.14 98 Q C C 100.69 6.76 12.87 20.82 99.56 101.47 -77.94 -19.36 69.67 1.97 28.36 31.09 21.24 18.46 18.44 8.67 0.04 0.79 1.27 99 R C C 145.37 4.66 14.04 19.98 100.24 65.18 -79.51 -13.26 62.77 2.85 34.37 35.42 14.74 13.62 26.43 6.98 0.04 1.29 1.48 100 T C H 62.67 8.33 11.98 21.55 111.02 73.81 -93.76 120.29 53.87 2.59 43.54 32.28 12.38 10.28 35.75 6.84 0.04 1.27 1.16 101 K C H 126.59 5.32 14.34 20.81 99.18 38.30 -74.69 -21.03 50.06 1.80 48.14 26.89 12.41 11.98 40.58 6.45 0.04 0.91 0.76 102 T C H 71.80 6.24 14.17 21.54 102.14 64.88 -85.66 -15.94 51.10 1.44 47.46 27.01 12.25 12.94 40.37 6.04 0.04 0.67 0.68 103 N C H 72.73 7.85 13.91 22.83 99.55 63.05 -75.89 -15.95 52.48 1.29 46.23 29.94 11.36 12.46 38.16 6.82 0.03 0.57 0.66 104 A C H 49.91 9.55 12.41 22.97 98.31 74.93 -71.34 -20.79 51.26 1.38 47.36 27.02 10.82 14.72 36.01 10.07 0.03 0.67 0.66 105 R C H 144.88 4.60 14.31 20.23 98.58 75.98 -76.48 -16.15 55.36 2.18 42.46 30.11 12.11 14.40 31.75 9.49 0.04 1.07 1.03 106 T C C 85.68 4.81 13.25 19.32 102.33 56.78 -89.43 0.23 64.56 3.25 32.19 38.15 13.76 13.44 23.89 7.55 0.03 1.52 1.65 107 R C C 120.82 8.05 10.05 19.31 116.13 107.45 -87.94 135.11 82.95 2.58 14.47 54.40 18.57 9.65 11.11 3.60 0.00 1.15 1.52 108 K C C 157.96 1.86 12.64 15.64 110.42 -145.00 -88.88 112.90 90.18 2.99 6.84 59.79 22.12 8.04 4.70 2.11 0.00 1.27 1.99 109 G C C 36.32 6.05 10.37 18.02 129.19 -101.04 -118.64 175.21 96.86 1.98 1.16 53.84 40.18 3.02 0.45 0.63 0.00 0.90 0.99 110 P C C 99.63 3.14 12.19 16.79 110.43 -63.07 -69.72 142.04 95.88 1.55 2.57 67.72 17.41 10.52 0.54 2.22 0.00 0.88 0.71 111 R C C 158.16 4.39 9.65 16.06 113.64 -128.93 -89.60 132.45 94.82 2.88 2.30 69.63 18.61 6.26 0.60 1.77 0.00 1.41 1.72 112 K C C 143.14 2.58 11.13 15.49 117.85 -143.56 -94.27 138.19 97.25 2.17 0.58 70.00 26.41 1.05 0.22 0.32 0.00 1.14 0.85 113 P C C 94.29 4.37 9.85 16.20 113.81 -107.40 -66.53 146.34 94.50 3.49 2.01 80.82 9.35 4.29 0.59 1.36 0.00 2.12 1.47 114 I C C 112.76 5.30 7.56 14.58 111.84 -118.62 -84.44 128.69 91.82 5.47 2.70 70.49 13.91 7.05 0.76 1.94 0.00 3.07 2.78 115 K C C 156.47 1.79 9.15 12.54 114.90 -138.74 -94.11 133.99 94.84 3.39 1.78 88.00 2.72 4.70 0.47 0.89 0.00 2.00 1.24 116 K C C 156.59 2.45 10.74 14.93 111.59 -116.86 -80.76 129.83 99.89 0.09 0.02 99.47 0.28 0.19 0.01 0.01 0.00 0.04 0.02