# 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 112.17 6.34 13.30 20.80 114.93 -159.83 -91.81 131.84 99.90 0.07 0.04 99.83 0.07 0.04 0.02 0.00 0.00 0.03 0.01 1 V C C 92.21 6.01 10.17 17.68 112.47 -142.57 -89.67 131.48 82.82 3.61 13.57 78.20 1.28 4.19 10.77 2.04 0.00 2.05 1.48 2 A C C 67.75 5.00 10.35 16.98 113.55 -128.32 -83.49 140.32 79.48 4.49 16.03 62.81 8.97 7.15 13.04 3.69 0.00 2.79 1.55 3 A C C 66.02 6.06 10.17 17.74 110.93 -118.26 -80.52 142.09 75.48 3.87 20.65 57.40 10.48 6.84 17.33 4.34 0.00 2.35 1.25 4 K C C 135.56 3.80 11.93 17.31 108.13 -129.26 -83.00 121.24 68.18 3.82 28.01 49.16 11.75 6.51 25.27 3.91 0.01 2.19 1.19 5 K C C 122.86 5.49 12.17 19.07 107.38 -134.12 -80.78 113.20 65.95 3.30 30.76 50.11 8.93 5.97 28.72 3.38 0.01 1.90 0.99 6 T C C 67.65 8.03 11.98 21.12 108.82 61.53 -87.47 108.85 67.05 2.03 30.92 53.58 6.70 5.34 30.02 2.63 0.00 1.09 0.64 7 K H H 123.98 5.96 13.85 20.99 97.66 -126.04 -69.91 -32.70 47.01 1.11 51.87 33.13 7.66 6.30 49.37 2.64 0.00 0.53 0.38 8 K H H 126.80 3.37 16.34 20.24 95.66 57.17 -69.80 -36.37 35.38 0.71 63.91 22.70 6.16 7.23 60.53 2.78 0.01 0.34 0.25 9 S H H 42.84 9.43 15.94 26.27 98.13 51.58 -71.34 -38.93 29.41 0.60 70.00 20.08 4.34 6.11 66.21 2.75 0.00 0.28 0.22 10 L H H 49.11 16.16 14.96 30.43 94.34 51.44 -67.08 -37.91 14.09 0.26 85.65 8.64 2.42 3.84 82.82 2.05 0.00 0.12 0.10 11 E H H 106.26 4.34 20.21 24.81 92.69 53.61 -64.93 -40.60 9.97 0.21 89.82 5.53 1.69 3.16 88.05 1.38 0.00 0.10 0.08 12 S H H 49.42 5.52 21.17 27.05 92.63 50.26 -65.75 -40.98 10.82 0.28 88.90 6.22 1.57 3.52 87.07 1.37 0.00 0.14 0.10 13 I H H 12.22 21.50 17.16 38.40 92.28 49.55 -64.76 -43.43 5.00 0.09 94.91 2.36 0.81 2.01 93.98 0.75 0.01 0.04 0.04 14 N H H 47.99 15.44 20.00 34.79 91.69 51.14 -62.77 -42.06 3.86 0.05 96.10 1.65 0.52 1.63 95.66 0.50 0.00 0.02 0.02 15 S H H 61.56 2.57 24.52 25.73 91.72 50.20 -64.72 -41.16 4.26 0.03 95.70 1.37 0.53 2.23 95.38 0.47 0.01 0.01 0.02 16 R H H 74.42 12.06 21.93 33.83 91.94 49.44 -65.45 -41.16 1.79 0.01 98.20 0.56 0.20 0.93 98.09 0.21 0.00 0.00 0.00 17 L H H 2.75 26.36 16.37 43.20 91.22 50.84 -63.58 -42.28 0.56 0.00 99.43 0.16 0.05 0.27 99.43 0.08 0.00 0.00 0.00 18 Q H H 83.87 8.77 22.42 31.49 91.18 52.68 -62.15 -41.32 0.35 0.00 99.65 0.09 0.02 0.17 99.65 0.06 0.00 0.00 0.00 19 L H H 80.87 3.31 23.67 26.31 91.62 50.56 -64.05 -42.03 0.36 0.00 99.64 0.08 0.03 0.20 99.61 0.08 0.00 0.00 0.00 20 V H H 12.27 17.97 16.73 35.31 92.18 49.72 -64.56 -42.46 0.54 0.02 99.44 0.11 0.04 0.32 99.34 0.16 0.00 0.01 0.00 21 M H H 45.51 18.30 15.23 32.67 92.00 50.55 -64.25 -40.00 1.42 0.02 98.56 0.22 0.09 0.99 98.13 0.55 0.01 0.01 0.00 22 K H H 153.25 1.70 19.53 21.02 91.24 52.75 -66.60 -30.54 6.93 0.02 93.04 0.34 0.33 6.15 92.57 0.59 0.02 0.01 0.01 23 S H H 66.42 4.35 17.40 22.46 92.94 50.57 -83.99 -10.27 46.36 0.07 53.57 0.88 2.29 41.94 53.88 0.92 0.02 0.02 0.06 24 G C T 33.68 11.20 16.39 27.79 98.62 -107.76 81.65 10.49 99.44 0.30 0.25 5.21 22.51 71.79 0.06 0.13 0.00 0.24 0.04 25 K C C 92.45 10.75 21.36 31.86 100.58 111.57 -97.94 16.30 80.71 18.99 0.30 52.33 25.71 1.50 0.04 0.30 0.00 19.66 0.47 26 Y E E 31.75 21.70 17.67 38.60 129.36 77.12 -124.75 143.03 13.06 86.64 0.29 10.73 2.47 0.38 0.10 0.20 0.00 84.96 1.16 27 V E E 21.55 17.38 23.70 40.92 121.92 -159.55 -117.26 132.39 6.87 93.08 0.05 7.08 0.20 0.02 0.03 0.02 0.00 91.27 1.37 28 L E E 45.40 17.41 23.54 39.78 119.82 -157.77 -109.41 132.07 25.62 74.36 0.03 22.89 1.86 0.06 0.01 0.02 0.00 74.54 0.62 29 G C S 14.36 11.43 25.47 37.86 125.93 20.97 98.71 162.85 94.16 2.98 2.86 17.30 75.01 1.82 3.43 0.23 0.00 1.40 0.81 30 Y H H 44.41 21.48 17.16 37.70 92.02 -91.98 -61.02 -39.65 1.62 0.00 98.38 0.12 0.29 1.04 98.36 0.19 0.00 0.00 0.00 31 K H H 127.93 4.23 24.00 28.89 91.47 52.04 -63.04 -41.66 0.62 0.00 99.38 0.04 0.04 0.47 99.27 0.18 0.00 0.00 0.00 32 Q H H 71.32 8.05 23.53 31.86 91.81 47.87 -65.88 -40.56 0.16 0.00 99.84 0.01 0.01 0.10 99.75 0.13 0.00 0.00 0.00 33 T H H 1.49 26.80 17.04 44.65 91.16 50.54 -63.50 -43.57 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 34 L H H 25.05 18.54 21.79 39.65 91.19 50.13 -63.21 -42.63 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 35 K H H 107.64 2.85 26.36 28.26 91.57 50.71 -63.77 -42.12 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 36 M H H 22.50 14.14 20.20 35.29 91.40 49.72 -64.24 -42.39 0.06 0.00 99.94 0.00 0.00 0.05 99.92 0.03 0.00 0.00 0.00 37 I H H 4.49 25.29 15.12 40.65 91.36 49.27 -63.62 -43.13 0.18 0.00 99.82 0.01 0.00 0.15 99.72 0.12 0.00 0.00 0.00 38 R H H 123.50 8.97 19.53 29.07 91.05 51.43 -64.16 -34.53 1.90 0.00 98.10 0.02 0.03 1.99 97.80 0.17 0.00 0.00 0.00 39 Q C T 115.08 2.69 20.21 22.55 91.79 52.66 -83.72 -6.96 74.17 0.01 25.82 0.14 0.67 73.08 25.73 0.37 0.00 0.00 0.01 40 G C T 37.48 11.20 15.65 27.23 94.97 -113.83 79.89 11.32 99.80 0.00 0.20 0.49 1.69 97.72 0.08 0.02 0.00 0.00 0.00 41 K C S 106.93 6.45 21.92 29.17 94.67 122.76 -82.14 -17.68 99.74 0.21 0.05 38.66 59.89 1.22 0.01 0.04 0.00 0.08 0.11 42 A C C 3.95 25.40 13.29 38.80 121.59 64.36 -107.01 139.22 94.24 5.71 0.05 80.89 12.62 0.57 0.00 0.08 0.00 5.51 0.33 43 K C S 88.85 9.91 26.71 37.65 100.06 -168.73 -94.53 -29.08 93.50 6.49 0.01 15.53 77.69 0.26 0.00 0.01 0.00 6.41 0.09 44 L E E 10.61 21.20 26.68 47.20 134.98 15.66 -144.58 142.68 3.62 96.37 0.01 2.63 0.94 0.05 0.00 0.01 0.00 96.27 0.10 45 V E E 1.08 27.32 26.72 54.04 121.01 -162.89 -118.32 127.96 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 46 I E E 2.38 25.50 29.30 54.09 117.23 -163.34 -111.40 123.53 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 47 L E E 5.41 24.27 27.00 50.10 125.43 -169.30 -113.11 141.20 0.41 99.59 0.00 0.40 0.00 0.00 0.00 0.00 0.00 99.58 0.01 48 A E E 4.90 22.20 20.85 43.36 115.06 -118.87 -75.31 145.07 29.06 70.92 0.02 28.33 0.72 0.07 0.00 0.02 0.00 70.46 0.41 49 N C T 69.86 11.51 22.25 34.04 93.62 -123.14 -66.12 -23.21 91.83 7.66 0.51 3.17 21.75 67.65 0.02 0.54 0.00 6.46 0.40 50 N C T 93.76 5.72 22.49 29.04 95.01 57.45 -91.08 7.33 97.83 1.81 0.36 6.03 28.17 63.69 0.02 0.44 0.00 1.45 0.21 51 C C S 11.34 23.26 9.13 31.38 118.12 119.02 -75.88 144.62 97.78 2.01 0.21 42.36 55.25 0.41 0.09 0.08 0.00 0.63 1.18 52 P C C 60.64 4.56 18.31 23.71 114.04 -102.08 -63.50 148.37 99.49 0.27 0.23 98.87 0.57 0.17 0.12 0.03 0.00 0.08 0.16 53 A H H 80.42 3.75 13.66 19.37 91.69 -111.82 -57.64 -37.22 17.57 0.06 82.37 1.63 1.81 12.29 61.43 22.74 0.03 0.03 0.04 54 L H H 122.55 1.45 16.91 17.81 91.26 56.08 -65.67 -31.59 15.05 0.06 84.89 0.98 1.24 11.33 64.06 22.29 0.05 0.03 0.03 55 R H H 66.95 14.65 14.19 28.68 94.97 46.93 -81.40 -21.48 11.61 0.09 88.30 1.73 1.12 7.40 65.12 24.53 0.02 0.05 0.03 56 K H H 63.86 17.47 14.45 30.88 92.16 68.80 -60.39 -42.84 3.52 0.02 96.46 1.13 0.50 1.62 94.95 1.79 0.00 0.01 0.01 57 S H H 65.84 2.14 22.91 23.53 91.76 51.46 -64.10 -40.23 3.04 0.01 96.95 0.49 0.24 1.98 95.51 1.77 0.00 0.00 0.00 58 E H H 77.50 7.57 22.16 30.11 91.65 50.16 -64.97 -41.26 1.42 0.01 98.57 0.30 0.11 0.87 97.82 0.89 0.00 0.00 0.00 59 I H H 2.31 26.56 15.68 42.91 91.30 49.80 -64.52 -42.66 0.28 0.00 99.72 0.06 0.02 0.13 99.70 0.09 0.00 0.00 0.00 60 E H H 76.92 12.79 21.75 33.91 91.49 52.07 -62.00 -42.27 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 61 Y H H 127.98 2.20 25.22 25.61 91.59 49.70 -63.63 -42.62 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 62 Y H H 39.79 14.70 20.77 35.72 92.10 48.76 -64.80 -42.42 0.06 0.00 99.94 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 63 A H H 3.72 23.69 14.52 38.46 91.40 50.55 -63.39 -42.30 0.16 0.00 99.84 0.01 0.00 0.13 99.76 0.10 0.00 0.00 0.00 64 M H H 112.83 4.21 20.64 25.61 91.65 49.73 -64.26 -40.51 0.72 0.00 99.28 0.02 0.02 0.66 99.01 0.29 0.00 0.00 0.00 65 L H H 103.43 4.00 20.14 24.41 91.47 51.27 -65.82 -34.65 3.89 0.00 96.11 0.07 0.11 3.70 95.86 0.25 0.00 0.00 0.00 66 A C H 24.48 15.89 14.62 30.96 93.97 48.16 -86.49 -5.55 50.29 0.07 49.65 1.13 2.99 44.06 51.04 0.70 0.01 0.02 0.05 67 K C T 156.80 2.21 21.34 23.88 93.91 -123.87 58.78 38.95 99.41 0.05 0.53 5.34 5.21 89.00 0.32 0.09 0.00 0.03 0.02 68 T C C 19.00 20.53 14.33 34.46 127.58 135.13 -118.83 150.07 96.55 3.41 0.04 81.60 14.17 0.52 0.01 0.04 0.00 3.49 0.17 69 G E E 24.48 9.01 25.68 35.41 116.16 -114.54 -78.30 147.95 46.48 53.46 0.06 41.29 3.01 0.32 0.01 0.05 0.00 54.87 0.46 70 V E E 23.16 23.63 16.52 39.61 123.81 -156.46 -120.29 132.00 6.35 93.64 0.01 6.02 0.24 0.01 0.00 0.00 0.00 93.28 0.45 71 H E E 50.04 14.16 24.32 38.19 120.46 -165.24 -111.77 130.85 1.36 98.64 0.00 1.24 0.05 0.00 0.00 0.00 0.00 98.65 0.06 72 H E E 85.05 14.14 22.51 35.80 118.14 -149.36 -99.63 129.81 2.69 97.30 0.01 2.57 0.09 0.01 0.00 0.00 0.00 97.21 0.12 73 Y E E 37.66 19.78 14.88 34.19 124.51 -172.42 -118.54 141.27 26.27 73.67 0.07 25.23 0.83 0.09 0.02 0.03 0.00 73.03 0.77 74 S C C 77.76 4.25 21.37 26.22 104.68 -165.20 -105.98 23.45 72.23 27.62 0.15 45.11 24.15 2.11 0.02 0.15 0.00 27.91 0.55 75 G C S 28.27 8.64 19.35 28.60 137.26 73.44 -137.68 -174.18 92.01 7.64 0.35 15.29 73.32 3.49 0.07 0.24 0.00 6.87 0.73 76 N C C 76.26 6.52 22.93 29.49 121.41 -62.34 -99.76 150.40 95.60 2.75 1.64 86.12 8.34 1.17 1.31 0.37 0.00 1.51 1.17 77 N H H 36.86 21.03 14.69 34.76 93.00 -120.11 -62.51 -35.50 9.19 0.07 90.74 2.66 2.46 4.09 89.50 1.22 0.01 0.03 0.03 78 I H H 90.50 7.09 21.85 29.29 92.44 55.17 -64.83 -40.76 4.59 0.04 95.37 0.86 0.68 2.97 94.26 1.18 0.02 0.02 0.01 79 E H H 89.83 5.08 23.54 28.60 92.29 49.26 -66.26 -40.55 2.24 0.05 97.71 0.60 0.31 1.33 96.49 1.23 0.01 0.03 0.01 80 L H H 6.26 22.63 15.87 38.82 91.88 51.91 -63.96 -42.80 0.96 0.02 99.02 0.21 0.13 0.56 98.37 0.72 0.00 0.01 0.00 81 G H H 9.49 15.53 16.78 33.16 91.84 51.59 -62.92 -41.91 1.56 0.02 98.42 0.30 0.15 0.98 97.52 1.02 0.00 0.01 0.00 82 T H H 91.43 2.32 21.50 23.15 92.32 49.63 -66.01 -40.17 1.99 0.02 97.99 0.26 0.16 1.43 96.60 1.53 0.00 0.01 0.00 83 A H H 44.44 11.21 17.35 29.01 92.70 52.17 -67.88 -34.47 5.18 0.03 94.80 0.30 0.38 4.39 93.73 1.17 0.02 0.01 0.01 84 C H H 26.62 17.06 14.22 31.27 95.27 39.31 -91.15 -7.66 40.29 0.11 59.61 1.10 2.58 35.98 58.72 1.45 0.04 0.03 0.08 85 G C T 58.30 1.77 19.61 20.76 94.73 -116.48 77.36 13.52 99.05 0.07 0.88 7.29 8.71 83.25 0.38 0.30 0.00 0.04 0.03 86 K C S 80.20 9.47 13.96 24.79 133.84 105.88 -126.75 158.67 98.62 0.82 0.56 44.23 51.49 2.97 0.16 0.35 0.00 0.32 0.48 87 Y C C 152.96 4.99 17.91 23.92 105.05 -125.99 -86.01 49.70 97.82 1.59 0.59 72.38 22.72 2.65 0.13 0.50 0.00 0.83 0.78 88 Y C C 69.79 14.74 16.57 31.23 130.67 97.48 -123.06 152.99 94.79 4.31 0.90 67.28 23.73 3.83 0.19 0.83 0.00 2.77 1.37 89 R C C 106.16 11.14 23.85 34.67 110.82 -113.51 -85.57 125.72 86.38 12.76 0.86 59.53 22.74 4.05 0.16 0.89 0.00 10.59 2.04 90 V C C 11.59 23.63 19.37 42.59 122.10 -154.72 -111.92 133.40 66.17 33.62 0.22 58.83 6.36 0.58 0.05 0.20 0.00 31.80 2.18 91 C C S 19.15 18.88 25.95 44.14 99.51 -165.35 -90.54 -28.71 67.25 32.67 0.08 29.82 37.14 0.57 0.01 0.07 0.00 32.09 0.30 92 T E E 6.87 22.64 27.14 49.32 135.31 15.47 -142.74 143.30 6.31 93.61 0.08 5.35 0.83 0.08 0.02 0.04 0.00 93.49 0.20 93 L E E 2.61 26.51 27.00 52.93 124.17 -164.58 -123.09 133.83 0.75 99.25 0.01 0.71 0.04 0.00 0.00 0.00 0.00 99.22 0.03 94 S E E 6.63 22.16 28.36 49.56 120.79 -161.77 -111.44 130.90 0.50 99.50 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.01 95 I E E 7.75 23.63 22.34 45.80 114.89 -155.46 -103.31 123.10 2.44 97.56 0.00 2.45 0.05 0.00 0.00 0.00 0.00 97.34 0.16 96 I C S 52.35 14.46 23.08 37.12 99.38 -175.34 -90.10 -26.18 69.10 30.85 0.05 31.70 36.66 0.61 0.01 0.04 0.00 30.57 0.40 97 D C S 62.48 8.35 21.77 30.81 117.96 43.85 -124.89 114.91 95.61 3.94 0.45 22.18 71.28 2.04 0.21 0.16 0.00 3.69 0.44 98 P C T 62.58 14.07 15.28 29.43 93.59 -148.86 -62.90 -27.20 63.87 0.95 35.18 11.22 9.83 41.84 26.99 9.01 0.07 0.57 0.47 99 G C T 40.87 4.93 20.94 26.30 93.02 61.41 -65.91 -29.30 57.52 0.41 42.07 9.17 7.23 40.14 35.54 7.40 0.05 0.20 0.26 100 D H H 39.93 14.86 17.45 32.18 94.87 56.27 -81.55 -16.82 31.92 0.35 67.73 19.30 4.49 9.11 59.72 7.05 0.01 0.16 0.17 101 S H H 14.70 20.84 14.38 34.61 93.14 74.71 -63.32 -39.24 9.20 0.10 90.70 4.45 1.57 3.45 87.79 2.65 0.01 0.05 0.03 102 D H H 90.80 3.09 23.32 26.11 92.33 53.73 -64.73 -37.91 3.97 0.06 95.97 1.59 0.63 1.85 93.82 2.05 0.00 0.03 0.01 103 I H H 62.26 8.58 20.86 30.13 91.99 52.02 -65.06 -41.88 2.48 0.06 97.46 0.87 0.34 1.29 95.48 1.96 0.00 0.04 0.01 104 I H H 13.64 22.57 15.80 37.94 92.24 50.13 -64.77 -41.53 2.88 0.07 97.05 0.77 0.37 1.69 94.87 2.23 0.01 0.05 0.01 105 R H H 109.96 10.73 19.74 30.46 92.20 52.64 -66.29 -34.82 10.72 0.10 89.19 1.40 0.97 8.04 87.23 2.24 0.02 0.06 0.03 106 S H H 63.31 3.35 20.63 23.60 94.67 51.84 -80.48 -20.05 33.33 0.20 66.48 3.81 3.55 25.65 64.18 2.57 0.05 0.08 0.12 107 M H H 43.14 14.35 14.08 28.94 101.40 76.18 -68.13 -41.56 39.61 0.53 59.86 19.04 13.10 9.01 52.29 6.07 0.03 0.21 0.27 108 P H H 47.72 11.42 14.83 26.98 95.70 49.79 -66.02 -35.36 33.93 0.87 65.20 20.14 4.92 9.50 54.17 10.44 0.02 0.50 0.32 109 E H H 123.79 3.09 16.07 19.81 95.34 52.72 -68.64 -34.43 29.76 1.37 68.86 15.66 5.41 9.90 56.28 11.42 0.05 0.81 0.48 110 Q H H 107.43 4.78 13.53 19.51 96.88 55.01 -74.58 -25.42 36.79 1.78 61.43 17.80 7.96 13.18 51.44 7.86 0.08 0.99 0.70 111 T C H 70.24 8.14 10.94 20.12 100.06 56.46 -85.53 -4.31 57.61 1.68 40.71 17.36 13.24 28.25 34.68 4.81 0.10 0.78 0.78 112 G C T 52.52 3.44 12.45 17.25 102.19 -72.16 75.80 6.62 79.43 2.83 17.74 28.68 17.69 34.20 12.47 4.42 0.02 1.49 1.02 113 E C C 117.86 4.78 9.52 16.14 109.31 121.62 -86.07 116.94 88.21 3.53 8.26 77.96 2.80 7.85 5.84 1.90 0.00 2.18 1.47 114 K C C 142.69 3.53 12.45 17.73 109.34 -149.59 -88.82 115.66 99.83 0.13 0.05 99.74 0.09 0.06 0.02 0.00 0.00 0.07 0.01