# 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 S C C 54.12 6.94 20.63 27.68 105.57 -141.66 -88.50 83.48 99.83 0.09 0.08 99.78 0.07 0.04 0.05 0.00 0.00 0.03 0.02 1 I H H 24.50 20.95 13.58 33.47 94.43 101.87 -67.47 -34.88 18.37 0.11 81.52 13.38 0.73 3.92 81.16 0.72 0.00 0.04 0.06 2 N H H 72.31 11.92 16.29 28.24 92.13 56.88 -62.94 -40.99 6.23 0.02 93.75 2.28 0.77 2.88 93.41 0.64 0.00 0.01 0.01 3 Q H H 120.96 1.64 20.69 20.99 91.85 50.53 -65.91 -39.68 1.98 0.01 98.01 0.72 0.26 0.94 97.44 0.63 0.00 0.00 0.00 4 K H H 72.96 10.86 18.92 30.14 92.08 49.37 -65.75 -41.08 0.91 0.01 99.08 0.30 0.11 0.44 98.83 0.31 0.00 0.00 0.00 5 L H H 7.76 24.03 15.17 39.09 91.47 50.63 -63.80 -42.22 0.60 0.01 99.40 0.18 0.06 0.28 99.33 0.15 0.00 0.00 0.00 6 A H H 44.52 7.35 20.88 29.05 91.33 52.52 -62.60 -41.27 0.76 0.01 99.23 0.22 0.06 0.39 99.19 0.13 0.00 0.00 0.00 7 L H H 78.82 3.48 22.74 25.72 91.79 50.30 -64.33 -41.71 0.73 0.03 99.25 0.19 0.08 0.41 99.13 0.17 0.00 0.01 0.00 8 V H H 12.94 18.28 16.04 34.84 91.89 49.77 -64.54 -42.63 0.97 0.15 98.88 0.31 0.11 0.52 98.67 0.28 0.01 0.09 0.01 9 I H H 47.62 17.27 15.48 32.03 92.02 49.82 -65.06 -40.49 1.80 0.14 98.06 0.50 0.16 1.04 97.58 0.60 0.01 0.10 0.02 10 K H H 154.91 1.53 19.60 20.63 91.60 51.73 -66.85 -31.82 5.97 0.07 93.96 0.51 0.36 4.96 93.50 0.58 0.02 0.04 0.02 11 S H H 65.65 4.69 17.26 22.69 93.76 49.15 -84.39 -11.13 37.02 0.08 62.90 0.95 2.11 32.89 63.18 0.76 0.03 0.02 0.04 12 G C T 31.12 11.47 15.97 27.70 105.37 -109.68 81.67 11.38 99.22 0.53 0.25 6.62 29.29 63.36 0.06 0.12 0.00 0.49 0.06 13 K C C 102.67 8.84 21.56 30.57 114.83 106.54 -97.04 103.53 68.27 31.51 0.22 50.85 15.00 0.96 0.04 0.20 0.00 32.47 0.49 14 Y E E 39.42 21.36 16.99 37.47 127.30 64.05 -120.50 139.93 11.20 88.66 0.14 9.83 1.29 0.14 0.06 0.08 0.00 87.70 0.90 15 T E E 27.52 15.25 23.24 38.56 123.97 -165.23 -119.84 136.31 5.89 94.08 0.04 6.06 0.15 0.02 0.02 0.01 0.00 92.87 0.88 16 L E E 49.74 17.06 22.34 38.23 123.98 -164.13 -121.80 133.61 19.43 80.54 0.03 17.33 1.59 0.07 0.01 0.02 0.00 80.27 0.71 17 G C S 16.49 10.67 25.32 36.98 125.49 21.33 95.96 164.66 94.20 2.27 3.53 14.28 76.97 2.58 4.18 0.28 0.00 1.06 0.65 18 Y H H 53.47 20.72 16.91 36.56 91.94 -86.20 -61.03 -39.54 3.02 0.01 96.97 0.28 0.78 1.78 96.89 0.26 0.00 0.00 0.00 19 K H H 133.09 3.49 23.59 27.68 91.53 51.44 -63.02 -41.61 1.31 0.00 98.69 0.08 0.12 0.99 98.53 0.26 0.00 0.00 0.00 20 S H H 43.16 7.19 22.95 30.62 91.97 48.32 -65.91 -40.32 0.56 0.00 99.44 0.07 0.05 0.38 99.23 0.27 0.00 0.00 0.00 21 T H H 2.15 26.08 16.80 43.35 91.35 50.56 -63.88 -43.72 0.26 0.00 99.73 0.03 0.02 0.16 99.71 0.08 0.00 0.00 0.00 22 V H H 23.17 18.26 21.79 39.42 91.35 49.41 -63.41 -42.76 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.03 0.00 0.00 0.00 23 K H H 111.98 2.48 26.50 27.80 91.52 50.07 -63.54 -41.95 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 24 S H H 14.60 13.04 19.87 34.23 91.46 49.99 -63.95 -42.17 0.20 0.00 99.80 0.02 0.01 0.14 99.75 0.09 0.00 0.00 0.00 25 L H H 4.56 25.42 14.76 40.35 91.36 49.96 -63.87 -42.51 0.36 0.00 99.64 0.02 0.01 0.29 99.40 0.27 0.00 0.00 0.00 26 R H H 128.05 8.42 19.63 28.82 91.22 51.27 -64.56 -34.04 2.53 0.00 97.47 0.04 0.05 2.54 97.09 0.28 0.00 0.00 0.00 27 Q C T 119.41 2.18 20.56 21.89 92.02 52.14 -84.03 -6.72 69.56 0.01 30.43 0.19 0.85 68.28 30.12 0.53 0.00 0.00 0.01 28 G C T 36.91 11.70 15.11 27.10 95.01 -112.53 78.96 12.51 99.77 0.01 0.23 0.63 2.15 97.09 0.09 0.03 0.00 0.00 0.00 29 K C S 115.19 5.23 21.99 27.91 95.18 123.20 -84.62 -15.72 99.67 0.26 0.07 48.69 49.86 1.14 0.02 0.05 0.00 0.10 0.13 30 S C C 6.07 24.44 13.30 37.51 122.11 72.40 -103.04 141.10 94.96 4.98 0.06 85.88 8.28 0.53 0.01 0.09 0.00 4.97 0.25 31 K C S 88.80 10.20 26.51 37.61 100.21 -170.16 -96.78 -24.45 93.26 6.73 0.01 13.68 79.29 0.22 0.00 0.01 0.00 6.72 0.08 32 L E E 10.06 21.58 26.20 47.04 134.30 20.27 -142.29 142.43 2.12 97.88 0.01 1.46 0.56 0.02 0.00 0.00 0.00 97.90 0.05 33 I E E 1.32 26.95 27.21 53.98 120.71 -161.98 -118.06 127.25 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 34 I E E 2.02 25.78 29.14 54.37 116.76 -160.62 -108.71 124.52 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 35 I E E 4.79 24.41 26.48 49.84 129.50 -175.87 -125.75 147.44 0.16 99.84 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.01 36 A E E 5.56 21.42 20.73 42.59 114.47 -113.96 -72.78 142.42 20.74 79.24 0.01 19.68 0.57 0.05 0.00 0.01 0.00 79.47 0.22 37 A C T 48.89 11.07 21.12 32.74 92.97 -124.04 -64.61 -27.47 91.49 8.11 0.40 4.54 28.73 58.54 0.02 0.43 0.00 7.36 0.38 38 N C T 101.99 4.17 22.10 26.98 95.16 57.96 -91.05 7.43 98.07 1.64 0.30 9.03 35.44 53.64 0.02 0.36 0.00 1.33 0.18 39 T C S 13.41 22.81 8.80 30.41 118.09 119.73 -76.29 143.68 98.72 1.14 0.14 46.84 51.79 0.26 0.06 0.04 0.00 0.35 0.65 40 P C C 64.49 3.96 18.45 22.96 114.15 -101.96 -63.13 148.04 99.69 0.10 0.21 99.12 0.53 0.12 0.14 0.02 0.00 0.03 0.06 41 V H H 106.65 4.06 13.53 19.59 91.58 -112.81 -57.73 -37.80 8.29 0.02 91.69 1.41 1.23 5.38 86.92 5.03 0.01 0.01 0.02 42 L H H 115.90 1.63 17.25 18.35 91.78 54.64 -64.39 -38.51 6.16 0.03 93.81 0.97 0.70 4.21 88.39 5.69 0.01 0.01 0.01 43 R H H 70.58 13.47 15.54 29.14 92.46 48.23 -68.80 -36.99 4.17 0.04 95.78 1.24 0.51 2.20 89.70 6.30 0.00 0.03 0.01 44 K H H 58.59 17.12 15.26 31.58 91.50 54.39 -61.81 -42.20 3.44 0.02 96.53 0.98 0.43 1.78 94.93 1.86 0.00 0.01 0.01 45 S H H 60.58 2.55 22.92 24.27 91.74 51.35 -63.96 -41.13 5.32 0.01 94.66 0.62 0.39 3.79 94.16 1.02 0.00 0.00 0.00 46 E H H 79.40 6.95 22.37 29.73 91.57 50.33 -64.57 -41.19 3.32 0.01 96.67 0.47 0.25 2.33 96.37 0.57 0.00 0.00 0.00 47 L H H 2.72 26.09 15.73 42.32 91.35 50.12 -64.25 -42.52 0.44 0.00 99.56 0.09 0.03 0.22 99.53 0.13 0.00 0.00 0.00 48 E H H 78.67 12.52 21.47 33.44 91.35 52.31 -62.13 -42.07 0.12 0.00 99.88 0.02 0.00 0.06 99.88 0.04 0.00 0.00 0.00 49 Y H H 129.83 2.01 24.85 24.85 91.59 49.81 -63.52 -42.48 0.11 0.00 99.89 0.01 0.00 0.06 99.87 0.05 0.00 0.00 0.00 50 Y H H 42.87 13.65 20.31 34.50 92.09 48.84 -64.84 -42.48 0.13 0.00 99.87 0.01 0.01 0.09 99.82 0.07 0.00 0.00 0.00 51 A H H 4.56 22.51 13.74 36.52 91.72 50.83 -63.45 -42.26 0.47 0.00 99.53 0.04 0.02 0.34 99.41 0.18 0.00 0.00 0.00 52 M H H 115.99 3.63 19.79 24.13 91.83 49.66 -64.50 -40.06 1.88 0.00 98.12 0.10 0.09 1.59 97.79 0.44 0.00 0.00 0.00 53 L H H 106.00 3.37 19.06 22.82 91.79 51.04 -66.78 -34.54 6.93 0.00 93.07 0.24 0.36 6.09 92.88 0.43 0.00 0.00 0.00 54 S H H 28.84 14.71 13.86 28.99 95.31 47.35 -88.43 -2.83 46.93 0.10 52.97 2.21 4.92 37.63 54.21 0.90 0.02 0.03 0.08 55 K C T 163.80 1.57 20.48 21.71 93.83 -124.11 59.01 37.69 99.58 0.06 0.37 13.80 5.46 80.43 0.17 0.10 0.00 0.03 0.02 56 T C C 18.37 20.97 11.50 31.86 125.12 142.93 -104.93 148.65 98.83 1.15 0.02 89.42 9.18 0.27 0.00 0.02 0.00 1.03 0.08 57 K C C 112.47 4.67 25.05 30.10 111.50 -108.07 -72.92 134.88 56.70 43.26 0.04 53.06 1.73 0.15 0.01 0.04 0.00 44.72 0.30 58 V E E 27.31 23.45 13.92 36.76 123.29 -159.37 -117.88 132.97 4.77 95.22 0.00 4.62 0.14 0.00 0.00 0.00 0.00 94.92 0.31 59 Y E E 64.59 12.25 23.92 36.30 122.79 -167.74 -116.33 134.27 0.56 99.44 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.43 0.04 60 Y E E 98.03 14.29 21.50 35.02 118.02 -151.06 -101.99 128.28 2.46 97.54 0.00 2.36 0.07 0.00 0.00 0.00 0.00 97.47 0.09 61 F E E 31.56 19.76 14.13 33.51 121.15 -165.28 -106.68 137.35 43.67 56.23 0.10 40.96 1.41 0.19 0.02 0.06 0.00 56.83 0.53 62 Q C C 133.37 2.96 21.41 24.40 103.34 -156.00 -94.78 26.07 84.48 15.14 0.38 47.80 29.93 6.06 0.05 0.36 0.00 15.23 0.56 63 G C S 26.44 9.36 18.76 28.74 133.18 61.70 137.55 -175.34 93.86 5.21 0.93 23.78 61.87 8.58 0.20 0.66 0.00 4.01 0.91 64 G C C 24.56 8.23 22.59 31.10 129.50 -96.26 -107.63 172.38 93.39 2.34 4.27 71.18 19.72 2.26 3.73 0.86 0.00 0.88 1.38 65 N H H 40.44 20.56 15.52 35.16 92.71 -90.68 -62.62 -36.83 7.27 0.05 92.68 1.49 2.17 3.76 91.52 1.01 0.02 0.01 0.03 66 N H H 90.89 6.38 21.86 28.87 92.32 54.08 -64.80 -40.45 4.07 0.03 95.90 0.69 0.62 2.71 94.89 1.05 0.02 0.01 0.01 67 E H H 89.25 5.65 23.48 29.22 92.41 48.88 -66.21 -40.47 1.98 0.05 97.97 0.52 0.29 1.20 96.84 1.11 0.01 0.03 0.01 68 L H H 5.18 23.27 16.34 39.86 91.97 50.55 -64.07 -43.19 0.97 0.02 99.01 0.20 0.14 0.60 98.37 0.68 0.01 0.01 0.00 69 G H H 7.86 16.06 16.85 33.83 91.40 51.37 -62.61 -42.32 1.65 0.02 98.33 0.31 0.17 1.08 97.52 0.90 0.00 0.01 0.00 70 T H H 91.71 2.27 21.91 23.38 91.99 50.01 -65.21 -40.57 2.16 0.02 97.82 0.28 0.19 1.58 96.47 1.46 0.01 0.01 0.00 71 A H H 43.42 11.53 17.71 29.64 92.13 52.35 -66.82 -34.78 6.02 0.03 93.95 0.29 0.40 5.33 92.76 1.18 0.02 0.01 0.01 72 V C T 27.48 18.02 14.51 32.48 95.75 41.28 -91.17 -4.05 51.15 0.07 48.77 0.70 2.00 48.08 47.54 1.57 0.02 0.02 0.06 73 G C T 57.82 1.91 20.27 21.30 94.44 -113.97 76.85 14.72 98.94 0.03 1.03 3.17 4.97 91.05 0.52 0.27 0.00 0.01 0.02 74 K C S 77.25 10.91 12.11 24.08 130.48 114.73 -119.78 156.07 98.43 0.68 0.90 45.56 49.39 3.47 0.32 0.53 0.00 0.24 0.50 75 L C C 123.32 3.20 17.79 21.76 97.25 -132.94 -79.54 -14.02 96.65 1.37 1.98 47.56 44.34 4.72 0.40 1.64 0.00 0.63 0.71 76 F C C 75.25 10.98 17.95 29.60 130.79 56.99 -125.88 154.28 93.94 3.13 2.92 45.46 42.05 6.32 0.55 2.63 0.00 1.78 1.21 77 R C C 109.58 11.00 23.35 33.97 110.57 -101.49 -75.15 128.70 90.34 7.22 2.44 66.99 18.14 4.96 0.48 2.29 0.00 5.31 1.82 78 V C C 9.76 24.24 18.33 42.39 123.26 -162.80 -115.23 136.30 78.21 20.88 0.91 69.74 6.98 1.00 0.31 0.65 0.00 18.56 2.76 79 G C S 13.66 16.47 25.99 42.27 98.77 -170.77 -91.07 -32.21 80.38 19.26 0.36 23.56 55.24 1.22 0.06 0.23 0.00 19.34 0.35 80 V E E 14.02 20.59 27.01 47.02 131.99 14.35 -141.30 139.43 9.97 89.61 0.43 8.10 1.62 0.30 0.12 0.18 0.00 89.37 0.30 81 V E E 3.30 26.24 25.63 51.36 124.06 -167.82 -123.93 132.20 1.83 97.93 0.24 1.64 0.12 0.02 0.17 0.03 0.00 97.95 0.06 82 S E E 10.76 19.97 28.31 47.38 122.97 -163.27 -113.78 135.28 1.00 98.81 0.19 0.87 0.05 0.02 0.18 0.02 0.00 98.84 0.03 83 I E E 8.92 23.24 20.87 43.98 116.69 -157.92 -108.22 123.20 3.20 96.64 0.17 3.15 0.10 0.02 0.18 0.03 0.00 96.27 0.26 84 L C E 63.71 12.13 22.48 34.53 99.00 -168.56 -86.24 -29.68 60.69 38.28 1.03 28.92 29.39 2.50 0.47 0.51 0.00 37.59 0.61 85 E C S 96.43 6.01 22.61 28.95 123.32 26.88 -128.29 130.22 85.16 10.73 4.11 21.01 54.43 9.39 2.10 1.69 0.02 10.12 1.23 86 A C T 48.49 14.88 15.04 29.41 97.56 -132.92 -64.79 -25.66 64.65 2.28 33.08 16.57 16.48 31.93 24.00 8.61 0.11 1.45 0.85 87 G C H 35.75 6.22 20.24 27.01 95.57 58.11 -56.66 -39.90 58.81 1.10 40.09 16.33 12.43 30.57 31.70 7.76 0.08 0.61 0.53 88 D H H 51.67 13.31 17.88 31.05 94.73 53.94 -77.16 -17.07 36.12 0.90 62.99 20.31 6.49 10.58 53.04 8.69 0.03 0.51 0.35 89 S H H 19.92 19.16 14.12 32.67 93.82 73.75 -65.69 -36.21 20.23 0.63 79.14 9.71 4.06 7.68 70.54 7.37 0.04 0.38 0.22 90 D H H 92.62 3.09 22.64 25.35 93.06 58.00 -66.42 -34.50 16.38 0.63 82.98 7.73 3.24 6.72 74.83 6.84 0.04 0.41 0.20 91 I H H 53.87 9.76 18.32 29.12 93.17 56.17 -66.36 -40.53 14.18 0.94 84.87 6.52 2.87 6.13 77.71 5.78 0.06 0.69 0.24 92 L H H 20.15 20.74 13.42 33.41 93.27 53.23 -66.67 -38.94 14.50 1.57 83.92 7.30 2.95 5.73 76.80 5.57 0.06 1.26 0.34 93 T H H 75.82 7.52 16.05 24.47 94.09 55.47 -69.25 -34.04 22.94 1.82 75.24 10.50 3.89 9.60 68.68 5.46 0.05 1.38 0.43 94 T H H 101.32 2.21 15.54 17.88 95.11 54.27 -75.67 -22.75 36.82 1.76 61.42 13.41 5.25 19.10 55.67 4.79 0.07 1.13 0.58 95 L C H 86.03 8.81 10.76 20.52 99.64 62.51 -83.17 -4.39 55.91 1.26 42.83 33.41 2.15 19.67 41.08 2.47 0.01 0.61 0.61 96 A C C 59.95 10.30 12.94 23.50 106.74 89.06 -78.53 101.42 99.92 0.04 0.05 99.81 0.06 0.07 0.04 0.00 0.00 0.02 0.00