# 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 T C C 68.65 7.16 14.38 22.50 114.02 -147.47 -88.92 146.95 99.92 0.02 0.06 99.84 0.07 0.04 0.03 0.00 0.00 0.01 0.00 1 K H H 130.43 4.69 12.29 18.42 96.70 -116.81 -67.53 -33.59 42.30 0.26 57.43 36.19 1.27 4.96 55.63 1.72 0.00 0.10 0.13 2 K H H 137.98 1.89 14.06 16.27 93.46 55.98 -67.02 -39.21 25.64 0.24 74.12 14.53 3.81 7.73 70.91 2.80 0.00 0.11 0.10 3 S H H 49.53 7.11 14.62 23.08 93.95 50.87 -67.05 -37.65 20.00 0.25 79.75 12.57 2.80 5.52 75.58 3.30 0.00 0.12 0.10 4 L H H 46.93 14.84 13.65 28.42 92.94 52.20 -66.22 -38.78 9.12 0.12 90.75 5.40 1.54 2.72 88.20 2.04 0.00 0.06 0.04 5 E H H 108.83 3.60 19.16 23.06 92.07 53.11 -64.31 -40.42 6.47 0.09 93.44 3.38 1.08 2.25 92.14 1.08 0.00 0.04 0.03 6 S H H 52.51 4.28 20.66 25.11 92.31 50.05 -65.37 -41.10 7.49 0.10 92.40 3.76 1.12 2.86 91.14 1.02 0.01 0.04 0.04 7 I H H 14.35 20.34 17.22 37.38 92.17 49.15 -64.72 -43.38 3.65 0.04 96.31 1.41 0.56 1.69 95.78 0.52 0.00 0.01 0.02 8 N H H 45.60 15.65 19.64 34.70 91.57 50.94 -62.77 -41.92 2.50 0.01 97.49 0.88 0.32 1.15 97.36 0.28 0.00 0.00 0.00 9 S H H 62.21 2.41 24.36 25.30 91.55 50.18 -64.58 -41.12 2.58 0.01 97.41 0.61 0.27 1.51 97.36 0.25 0.00 0.00 0.00 10 R H H 79.33 11.17 21.97 33.12 91.85 49.58 -65.35 -41.21 1.00 0.00 98.99 0.21 0.09 0.57 99.01 0.11 0.00 0.00 0.00 11 L H H 2.81 26.28 16.11 42.88 91.24 50.36 -63.77 -42.34 0.32 0.00 99.68 0.07 0.03 0.16 99.70 0.05 0.00 0.00 0.00 12 Q H H 83.94 8.85 22.22 31.38 91.11 52.88 -61.87 -41.38 0.22 0.00 99.78 0.04 0.01 0.11 99.79 0.04 0.00 0.00 0.00 13 L H H 82.78 2.96 23.60 25.66 91.60 50.62 -63.84 -42.18 0.25 0.00 99.75 0.04 0.02 0.15 99.74 0.06 0.00 0.00 0.00 14 V H H 13.88 17.22 16.67 34.59 91.97 49.75 -64.27 -42.52 0.46 0.01 99.53 0.08 0.03 0.28 99.47 0.13 0.00 0.00 0.00 15 M H H 45.73 18.29 14.85 32.30 91.97 50.64 -64.09 -39.91 1.37 0.02 98.61 0.19 0.08 0.98 98.24 0.49 0.00 0.01 0.00 16 K H H 153.68 1.65 19.29 20.74 91.32 52.73 -66.11 -30.98 6.89 0.02 93.09 0.30 0.29 6.25 92.59 0.54 0.01 0.01 0.01 17 S H H 68.92 3.75 17.22 21.58 93.20 49.83 -84.50 -10.01 43.86 0.06 56.08 0.81 2.17 39.65 56.43 0.86 0.02 0.02 0.05 18 G C T 33.63 10.64 16.20 27.25 98.50 -107.62 81.85 10.05 99.37 0.36 0.27 5.49 27.26 66.69 0.06 0.15 0.00 0.30 0.05 19 K C C 96.77 10.00 21.25 31.17 103.08 110.80 -98.38 31.36 79.98 19.59 0.44 54.08 22.88 1.55 0.05 0.42 0.00 20.56 0.44 20 Y E E 35.32 21.56 17.31 38.06 129.74 67.35 -120.39 142.49 13.19 86.42 0.39 10.94 2.35 0.42 0.13 0.26 0.00 84.87 1.02 21 V E E 23.71 16.54 23.39 39.93 122.64 -162.02 -117.89 133.38 6.13 93.82 0.05 6.27 0.20 0.02 0.03 0.02 0.00 92.11 1.34 22 L E E 49.17 16.90 23.10 38.89 119.69 -155.44 -109.26 131.56 21.94 78.03 0.03 19.49 1.74 0.06 0.01 0.02 0.00 78.10 0.59 23 G C S 15.28 10.77 25.32 37.16 125.15 21.64 98.43 161.60 94.21 3.05 2.75 17.56 74.78 1.85 3.29 0.23 0.00 1.54 0.75 24 Y H H 47.89 21.27 16.75 36.99 91.92 -93.48 -61.01 -39.46 1.75 0.00 98.25 0.16 0.33 1.07 98.23 0.20 0.00 0.00 0.00 25 K H H 131.12 3.72 23.69 28.06 91.44 52.26 -62.92 -41.62 0.61 0.00 99.39 0.04 0.04 0.45 99.30 0.17 0.00 0.00 0.00 26 Q H H 73.24 7.70 23.22 31.20 91.81 47.82 -65.90 -40.44 0.16 0.00 99.84 0.01 0.01 0.10 99.73 0.14 0.00 0.00 0.00 27 T H H 1.65 26.63 16.79 44.15 91.26 50.56 -63.67 -43.49 0.07 0.00 99.93 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 28 L H H 25.69 18.49 21.59 39.39 91.24 50.16 -63.19 -42.43 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 29 K H H 109.11 2.71 26.25 27.92 91.61 50.76 -63.81 -42.05 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 30 M H H 23.55 14.01 20.16 35.11 91.45 49.68 -64.29 -42.38 0.08 0.00 99.92 0.00 0.00 0.06 99.88 0.05 0.00 0.00 0.00 31 I H H 4.18 25.54 15.02 40.86 91.33 49.36 -63.60 -43.09 0.21 0.00 99.79 0.01 0.00 0.17 99.63 0.18 0.00 0.00 0.00 32 R H H 123.46 9.00 19.59 29.15 91.10 51.45 -64.27 -34.09 2.10 0.00 97.90 0.02 0.03 2.19 97.53 0.22 0.00 0.00 0.00 33 Q C T 115.72 2.61 20.34 22.51 91.98 52.55 -83.65 -7.14 74.42 0.01 25.57 0.15 0.66 73.34 25.45 0.39 0.00 0.00 0.01 34 G C T 36.56 11.61 15.62 27.50 95.16 -113.14 79.88 11.41 99.81 0.00 0.19 0.52 1.75 97.63 0.07 0.03 0.00 0.00 0.00 35 K C C 108.03 6.28 22.13 29.15 94.65 123.09 -84.22 -15.56 99.69 0.26 0.05 50.07 48.68 0.99 0.01 0.03 0.00 0.10 0.12 36 A C C 3.96 25.57 12.88 38.52 119.28 75.94 -97.15 136.94 92.90 7.05 0.04 84.72 7.55 0.33 0.00 0.05 0.00 7.00 0.34 37 K C S 90.11 9.46 26.64 37.23 100.34 -170.14 -96.04 -29.06 91.47 8.53 0.01 16.51 74.51 0.22 0.00 0.01 0.00 8.66 0.10 38 L E E 11.52 20.86 26.59 46.75 135.42 15.00 -144.75 143.51 2.35 97.65 0.01 1.73 0.52 0.02 0.00 0.00 0.00 97.66 0.06 39 V E E 1.11 27.29 26.57 53.87 120.70 -162.05 -117.91 127.14 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 40 I E E 2.59 25.32 29.28 53.86 116.87 -163.12 -111.19 123.56 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 41 L E E 5.16 24.42 26.74 50.01 126.11 -171.42 -116.44 142.16 0.35 99.65 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.64 0.01 42 A E E 5.14 21.97 20.72 43.02 115.09 -118.44 -74.29 144.17 26.38 73.59 0.02 25.74 0.59 0.05 0.00 0.01 0.00 73.24 0.36 43 N C T 71.36 11.27 22.03 33.60 93.42 -123.12 -66.16 -23.76 91.47 8.05 0.48 3.18 22.67 66.31 0.02 0.50 0.00 6.94 0.38 44 N C T 97.01 5.09 22.32 28.18 95.07 58.15 -91.45 7.80 97.78 1.86 0.35 6.18 28.66 63.00 0.02 0.42 0.00 1.51 0.21 45 C C S 11.66 23.21 8.91 31.01 118.13 120.03 -75.71 144.55 97.86 1.90 0.23 44.58 53.07 0.45 0.10 0.09 0.00 0.62 1.10 46 P C C 61.91 4.33 18.25 23.34 114.00 -102.40 -63.46 148.73 99.39 0.26 0.35 98.62 0.67 0.25 0.19 0.04 0.00 0.07 0.15 47 A H H 81.03 3.63 13.58 19.16 91.62 -111.83 -57.64 -37.20 17.37 0.06 82.57 2.02 2.13 11.63 64.01 20.11 0.03 0.03 0.04 48 L H H 122.06 1.45 16.82 17.72 91.39 56.11 -65.59 -32.39 14.48 0.06 85.45 1.31 1.43 10.43 66.69 20.04 0.04 0.03 0.04 49 R H H 66.94 14.66 14.19 28.68 94.68 47.55 -79.32 -24.77 11.08 0.10 88.83 2.07 1.19 6.66 67.72 22.26 0.02 0.06 0.03 50 K H H 64.52 17.34 14.49 30.81 92.11 66.61 -60.70 -42.83 4.46 0.03 95.51 1.43 0.64 2.11 93.07 2.72 0.00 0.01 0.01 51 S H H 65.84 2.09 22.87 23.36 91.73 51.37 -64.04 -40.39 4.77 0.02 95.21 0.74 0.38 3.18 92.92 2.75 0.01 0.01 0.01 52 E H H 77.90 7.51 22.04 29.97 91.58 50.14 -64.93 -41.08 2.57 0.02 97.41 0.56 0.21 1.59 96.13 1.49 0.00 0.01 0.00 53 I H H 2.34 26.55 15.46 42.68 91.27 49.82 -64.60 -42.68 0.46 0.00 99.53 0.12 0.05 0.20 99.49 0.14 0.00 0.00 0.00 54 E H H 78.67 12.43 21.64 33.54 91.51 52.11 -62.12 -42.16 0.15 0.00 99.85 0.03 0.01 0.07 99.86 0.03 0.00 0.00 0.00 55 Y H H 128.89 2.10 25.11 25.32 91.63 49.77 -63.57 -42.52 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 56 Y H H 39.48 14.66 20.55 35.51 92.09 48.78 -64.81 -42.37 0.08 0.00 99.92 0.00 0.00 0.05 99.89 0.05 0.00 0.00 0.00 57 A H H 4.02 23.45 14.34 38.01 91.32 50.59 -63.41 -42.18 0.20 0.00 99.80 0.01 0.01 0.15 99.71 0.12 0.00 0.00 0.00 58 M H H 115.23 3.84 20.51 25.08 91.84 49.89 -64.28 -40.40 0.80 0.00 99.20 0.03 0.03 0.72 98.92 0.30 0.00 0.00 0.00 59 L H H 103.90 3.82 19.86 24.02 91.60 50.97 -65.88 -34.84 3.98 0.00 96.02 0.08 0.13 3.73 95.80 0.25 0.00 0.00 0.00 60 A H H 24.70 15.87 14.29 30.56 94.17 48.29 -85.88 -5.92 47.83 0.07 52.10 1.30 3.40 40.90 53.61 0.70 0.01 0.02 0.06 61 K C T 159.42 1.96 21.08 23.16 94.03 -124.41 58.65 38.61 99.31 0.06 0.63 6.18 5.97 87.28 0.41 0.11 0.00 0.03 0.01 62 T C C 20.95 20.17 13.73 33.43 125.62 135.06 -117.86 150.97 96.86 3.08 0.06 79.14 16.81 0.72 0.01 0.05 0.00 3.08 0.18 63 G E E 27.44 8.08 25.39 34.05 116.02 -113.15 -79.49 147.70 49.51 50.41 0.07 43.59 3.50 0.44 0.01 0.07 0.00 51.93 0.46 64 V E E 27.18 23.30 15.82 38.41 123.89 -156.50 -118.65 131.83 8.26 91.73 0.01 7.79 0.35 0.02 0.00 0.01 0.00 91.32 0.51 65 H E E 54.58 13.64 23.63 37.07 120.31 -164.21 -109.87 130.64 1.75 98.24 0.00 1.58 0.07 0.00 0.00 0.00 0.00 98.26 0.08 66 H E E 88.30 13.87 21.83 34.98 119.11 -150.59 -103.40 129.69 3.13 96.86 0.01 2.94 0.12 0.01 0.00 0.00 0.00 96.77 0.15 67 Y E E 44.07 19.16 14.92 33.52 124.69 -171.30 -117.93 138.35 25.89 74.03 0.08 24.57 1.01 0.12 0.03 0.04 0.00 73.44 0.79 68 S C C 77.86 4.35 20.80 25.85 109.69 -165.51 -106.43 68.45 69.24 30.56 0.20 46.19 19.99 2.10 0.03 0.19 0.00 30.86 0.63 69 G C S 29.46 8.48 18.97 28.12 137.59 76.26 142.94 -174.77 91.36 8.18 0.46 21.50 66.01 3.98 0.10 0.33 0.00 7.23 0.85 70 N C C 78.09 6.77 22.48 29.32 120.44 -67.94 -99.98 147.45 95.22 2.67 2.11 84.51 9.29 1.43 1.73 0.47 0.00 1.38 1.18 71 N H H 35.02 21.40 14.72 35.17 93.50 -129.65 -63.09 -35.42 9.72 0.09 90.19 3.22 2.79 3.92 88.84 1.15 0.01 0.03 0.04 72 I H H 88.35 7.80 21.66 29.74 92.52 55.17 -64.68 -40.35 4.71 0.06 95.23 0.95 0.74 2.99 94.05 1.21 0.02 0.03 0.02 73 E H H 92.68 4.87 23.92 28.66 92.48 49.33 -66.23 -40.12 2.57 0.05 97.38 0.69 0.37 1.54 96.00 1.35 0.01 0.03 0.01 74 L H H 6.14 22.74 16.42 39.36 92.00 51.74 -63.59 -42.98 1.25 0.02 98.73 0.26 0.18 0.75 97.88 0.92 0.00 0.01 0.00 75 G H H 7.52 16.98 16.69 34.36 91.56 51.51 -62.54 -42.36 2.17 0.03 97.80 0.44 0.24 1.38 96.64 1.27 0.00 0.02 0.01 76 T H H 90.93 2.34 21.96 23.63 92.22 49.94 -65.71 -40.40 2.88 0.03 97.09 0.39 0.27 2.11 95.11 2.09 0.01 0.02 0.00 77 A H H 45.40 10.76 17.81 29.10 92.16 52.76 -66.79 -34.18 7.18 0.05 92.77 0.35 0.53 6.36 90.97 1.73 0.02 0.02 0.02 78 C C T 23.53 18.13 14.07 32.08 94.69 43.15 -88.95 -7.37 55.91 0.08 44.01 0.68 2.13 52.73 42.31 2.01 0.02 0.03 0.07 79 G C T 58.65 1.55 20.45 21.01 94.63 -114.53 78.38 15.46 99.33 0.03 0.63 3.29 4.44 91.80 0.26 0.18 0.00 0.02 0.02 80 K C C 68.63 12.34 10.92 23.98 129.61 115.63 -117.03 156.39 98.46 0.87 0.67 61.60 33.92 2.76 0.18 0.47 0.00 0.28 0.79 81 Y C S 174.25 2.39 17.88 20.83 95.90 -137.31 -81.85 -15.97 97.17 0.96 1.87 24.67 64.28 8.17 0.20 1.77 0.00 0.49 0.42 82 Y C S 88.98 9.56 18.85 29.21 131.53 48.82 -127.12 157.02 95.09 2.51 2.40 17.00 70.04 8.13 0.21 2.27 0.00 1.75 0.59 83 R C C 94.23 12.76 22.94 35.13 112.63 -89.96 -73.19 133.89 79.28 18.01 2.71 62.89 11.90 3.75 0.36 2.80 0.00 16.33 1.96 84 V C C 8.22 24.17 19.76 43.93 118.85 -154.95 -108.26 131.23 54.77 45.07 0.16 51.58 3.00 0.24 0.05 0.11 0.00 41.92 3.09 85 C E E 15.84 19.56 26.42 45.18 101.94 176.51 -95.98 -25.04 49.66 50.28 0.05 35.60 13.54 0.28 0.01 0.05 0.00 50.14 0.38 86 T E E 7.07 22.91 27.42 49.68 134.47 17.04 -138.72 143.65 6.37 93.60 0.03 5.64 0.62 0.04 0.00 0.01 0.00 93.45 0.22 87 L E E 2.38 26.62 27.07 53.14 124.13 -164.50 -123.40 133.96 0.87 99.12 0.00 0.81 0.05 0.00 0.00 0.00 0.00 99.09 0.04 88 A E E 7.07 21.76 28.45 49.32 119.55 -157.54 -108.74 128.53 0.69 99.31 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.33 0.02 89 I E E 7.57 23.82 21.95 45.74 113.55 -151.51 -98.85 120.62 2.90 97.10 0.01 2.89 0.06 0.00 0.00 0.00 0.00 96.82 0.22 90 I C E 54.05 13.98 23.01 36.67 99.52 -172.54 -90.78 -26.48 62.55 37.39 0.07 31.65 30.58 0.72 0.01 0.06 0.00 36.52 0.46 91 D C S 65.51 7.79 21.81 30.29 116.32 38.18 -126.79 108.37 92.39 7.20 0.40 25.82 63.52 2.68 0.12 0.22 0.00 7.03 0.60 92 P C T 59.43 15.18 14.40 29.43 94.55 -156.30 -64.93 -23.51 68.38 1.77 29.85 18.34 13.84 36.37 19.31 10.24 0.06 1.07 0.76 93 G C T 43.01 4.37 20.70 25.47 93.70 64.40 -64.97 -34.42 60.81 0.79 38.40 13.07 11.03 36.56 28.43 9.97 0.07 0.38 0.50 94 D H H 50.43 12.26 17.38 30.08 96.20 50.98 -87.39 -6.18 43.70 0.62 55.68 26.69 5.97 11.76 45.89 9.07 0.01 0.30 0.32 95 S H H 13.88 21.16 12.76 33.24 93.82 82.71 -63.88 -37.42 16.30 0.21 83.50 8.85 2.97 5.34 78.61 4.04 0.01 0.09 0.08 96 D H H 92.28 2.91 21.87 24.39 92.41 57.22 -64.94 -36.48 7.62 0.10 92.28 3.03 1.38 3.63 88.03 3.83 0.01 0.06 0.04 97 I H H 68.71 6.67 19.22 26.82 92.35 51.81 -65.09 -41.33 4.30 0.09 95.61 1.41 0.65 2.37 91.02 4.45 0.01 0.06 0.02 98 I H H 15.81 21.67 13.10 34.21 92.34 50.88 -65.68 -40.41 4.28 0.10 95.62 1.06 0.57 2.65 90.15 5.48 0.01 0.07 0.02 99 R H H 121.91 9.62 16.34 26.61 91.48 55.78 -67.21 -27.06 16.74 0.15 83.10 1.71 1.50 13.43 78.57 4.58 0.06 0.09 0.07 100 S C T 87.26 1.43 16.92 17.71 95.33 55.57 -87.04 -6.08 54.38 0.27 45.35 4.79 3.67 44.46 42.89 3.85 0.03 0.11 0.20 101 M C C 60.28 13.65 7.93 21.58 117.27 103.07 -78.01 142.70 99.58 0.29 0.13 82.21 16.88 0.51 0.09 0.02 0.00 0.09 0.18 102 P C C 99.78 2.61 16.25 19.49 110.34 -100.78 -66.21 143.18 99.98 0.02 0.00 99.90 0.06 0.02 0.00 0.00 0.00 0.01 0.00