# 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 K C C 102.49 7.84 21.98 30.07 121.46 -154.61 -108.63 134.07 97.38 2.62 0.00 97.43 0.11 0.01 0.00 0.00 0.00 2.42 0.03 1 I E E 20.08 21.31 14.37 35.44 122.53 -165.76 -115.50 131.75 11.01 88.98 0.00 11.45 0.11 0.01 0.00 0.00 0.00 88.14 0.29 2 R E E 95.72 8.05 23.69 32.19 120.37 -164.21 -115.59 129.24 2.37 97.63 0.00 2.33 0.05 0.00 0.00 0.00 0.00 97.57 0.05 3 I E E 9.68 23.84 16.30 40.44 120.01 -164.63 -112.94 128.42 0.91 99.09 0.00 0.99 0.01 0.00 0.00 0.00 0.00 98.99 0.01 4 K E E 76.03 9.16 26.25 35.77 118.01 -162.68 -113.03 125.51 0.65 99.35 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.34 0.01 5 L E E 5.51 25.39 16.72 42.69 124.88 -170.78 -120.13 137.57 1.54 98.45 0.00 1.57 0.02 0.00 0.00 0.00 0.00 98.38 0.03 6 R E E 99.23 8.58 26.64 35.76 125.24 -170.39 -119.08 139.44 5.48 94.51 0.01 5.15 0.21 0.02 0.00 0.00 0.00 94.43 0.18 7 G E E 7.10 20.47 15.81 36.08 140.74 154.37 -155.27 165.58 32.49 67.46 0.05 30.47 1.54 0.13 0.01 0.04 0.00 66.76 1.05 8 F C S 110.15 8.37 20.90 29.81 95.84 -124.85 -80.94 -21.01 98.84 1.13 0.03 6.10 92.51 0.52 0.00 0.01 0.00 0.77 0.08 9 D C C 65.41 7.09 19.93 27.92 115.05 56.59 -115.51 111.90 98.93 0.94 0.13 66.51 32.26 0.33 0.07 0.04 0.00 0.33 0.46 10 H H H 89.86 13.65 14.45 28.18 93.21 -160.64 -62.80 -35.26 2.63 0.01 97.36 0.40 0.45 1.59 96.94 0.62 0.00 0.00 0.00 11 K H H 145.00 1.45 21.58 21.86 91.84 54.81 -64.22 -40.69 1.57 0.00 98.42 0.17 0.15 1.15 97.87 0.65 0.00 0.00 0.00 12 T H H 38.78 10.40 19.06 30.46 92.13 47.94 -65.58 -41.15 0.78 0.00 99.22 0.16 0.07 0.46 98.61 0.69 0.00 0.00 0.00 13 L H H 4.62 24.95 14.49 39.62 91.29 50.86 -63.06 -43.31 0.33 0.00 99.66 0.07 0.03 0.15 99.62 0.12 0.00 0.00 0.00 14 D H H 67.01 9.33 23.39 32.75 91.43 50.37 -63.51 -41.78 0.26 0.00 99.74 0.04 0.01 0.13 99.78 0.03 0.00 0.00 0.00 15 A H H 53.95 3.04 26.33 28.53 91.32 49.74 -63.78 -42.65 0.20 0.00 99.80 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 16 S H H 8.52 18.91 21.29 40.21 91.84 49.54 -64.55 -42.35 0.27 0.00 99.73 0.02 0.01 0.17 99.76 0.02 0.00 0.00 0.00 17 A H H 6.17 23.11 19.89 42.69 91.24 51.91 -62.62 -42.18 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 18 Q H H 102.58 4.20 26.41 30.94 91.37 51.04 -63.76 -41.56 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 19 K H H 87.32 7.83 25.71 33.91 91.56 49.81 -64.59 -42.14 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 20 I H H 2.16 26.52 20.57 47.25 91.52 49.12 -63.93 -43.69 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 21 V H H 25.48 17.33 22.59 39.37 91.25 49.53 -63.09 -43.05 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 22 E H H 100.79 2.51 27.18 28.39 91.36 49.88 -63.29 -42.06 0.16 0.00 99.84 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 23 A H H 13.53 14.04 20.97 35.99 91.65 49.96 -64.02 -42.47 0.36 0.00 99.64 0.02 0.01 0.24 99.68 0.04 0.00 0.00 0.00 24 A H H 3.90 23.87 15.16 39.22 91.37 51.19 -63.46 -42.17 0.82 0.00 99.18 0.10 0.05 0.51 99.19 0.15 0.00 0.00 0.00 25 R H H 147.98 4.46 20.16 25.95 91.27 50.82 -62.97 -40.30 1.62 0.01 98.37 0.19 0.09 1.20 97.88 0.63 0.00 0.00 0.00 26 R H H 160.99 2.34 19.85 22.30 91.04 53.19 -65.93 -29.54 7.85 0.02 92.13 0.23 0.27 7.44 91.39 0.65 0.01 0.00 0.01 27 S C T 35.28 13.94 14.17 28.59 94.23 50.47 -89.41 -1.59 68.23 0.05 31.73 0.41 1.18 65.64 31.83 0.89 0.01 0.01 0.04 28 G C T 54.30 1.86 21.66 22.68 96.62 -104.93 86.90 11.82 99.85 0.02 0.13 2.46 1.62 95.84 0.04 0.02 0.00 0.01 0.00 29 A C C 13.60 21.95 9.71 30.71 120.99 140.71 -85.41 149.85 97.91 2.07 0.02 96.63 1.35 0.07 0.00 0.01 0.00 1.85 0.09 30 Q E E 120.22 2.71 24.33 26.76 112.30 -127.14 -88.62 125.33 22.57 77.37 0.05 21.70 0.85 0.09 0.01 0.03 0.00 76.33 0.99 31 V E E 32.01 22.84 11.13 32.69 120.65 -162.74 -111.57 130.24 6.67 93.30 0.03 6.57 0.20 0.02 0.02 0.01 0.00 89.20 3.97 32 S E E 64.38 5.08 20.62 26.23 111.70 -172.69 -111.42 80.29 28.76 71.21 0.04 23.01 5.30 0.25 0.01 0.03 0.00 70.65 0.75 33 G C E 33.70 4.69 20.84 25.99 132.34 -24.69 113.08 -175.92 58.72 41.27 0.02 19.76 37.90 0.47 0.00 0.02 0.00 41.55 0.30 34 P C C 66.86 12.61 16.45 29.04 115.73 -56.48 -70.71 145.43 67.86 32.12 0.02 60.00 6.03 0.18 0.00 0.03 0.00 33.09 0.66 35 I E E 34.21 16.71 15.67 32.89 118.97 -153.59 -113.80 126.10 25.66 74.32 0.02 23.84 1.28 0.04 0.01 0.01 0.00 64.98 9.83 36 P E E 78.37 6.01 22.94 29.49 114.72 -116.21 -68.37 143.44 40.33 59.65 0.01 39.06 1.30 0.04 0.00 0.01 0.00 56.47 3.11 37 L C C 37.46 20.97 13.15 33.18 116.67 -114.43 -79.48 140.12 92.57 7.42 0.01 89.19 3.77 0.05 0.00 0.01 0.00 6.48 0.50 38 P C C 42.74 11.80 16.65 29.53 114.35 -103.64 -66.23 147.88 92.33 7.59 0.08 90.10 2.27 0.21 0.01 0.06 0.00 6.67 0.68 39 T C S 88.82 6.28 15.99 23.70 99.24 -158.80 -90.47 -17.85 80.42 19.49 0.08 26.73 53.19 0.82 0.01 0.08 0.00 18.64 0.52 40 R E E 128.19 3.96 18.37 23.33 126.65 51.77 -121.27 142.54 14.76 85.14 0.10 11.22 3.35 0.34 0.01 0.08 0.00 84.70 0.31 41 V E E 61.65 14.91 12.25 26.92 123.82 -161.78 -121.24 135.36 3.87 96.10 0.03 3.58 0.19 0.02 0.01 0.02 0.00 96.10 0.08 42 R E E 105.31 7.46 17.51 26.14 123.49 -167.55 -119.29 136.24 0.92 99.08 0.01 0.81 0.04 0.00 0.00 0.00 0.00 99.11 0.02 43 R E E 115.56 9.42 15.98 26.57 119.98 -152.51 -106.69 130.87 0.78 99.21 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.26 0.01 44 F E E 50.07 12.74 14.91 29.01 126.37 -173.55 -123.56 143.13 1.13 98.86 0.01 1.04 0.04 0.01 0.00 0.00 0.00 98.89 0.02 45 T E E 53.96 9.14 17.78 28.28 120.34 -148.75 -109.64 134.69 2.39 97.60 0.02 2.27 0.08 0.01 0.00 0.01 0.00 97.56 0.07 46 V E E 34.61 13.33 14.83 29.49 118.38 -159.19 -110.32 128.81 9.03 90.88 0.09 8.31 0.54 0.08 0.03 0.04 0.00 90.53 0.46 47 I E E 73.50 8.24 15.43 25.23 114.39 -146.03 -91.88 129.13 35.30 64.33 0.37 28.30 6.04 0.95 0.10 0.25 0.00 63.50 0.86 48 R C C 122.43 7.17 13.51 22.10 114.14 -152.19 -96.82 129.77 66.24 32.92 0.84 44.58 19.12 3.21 0.21 0.68 0.00 30.16 2.04 49 G C C 29.45 6.51 12.41 20.52 124.73 2.99 -117.70 164.92 84.76 11.72 3.52 53.23 23.24 8.71 0.90 2.78 0.00 8.74 2.40 50 P C T 93.60 3.90 11.89 17.06 97.24 -80.46 -69.00 -16.64 86.93 1.41 11.66 12.71 28.40 46.77 2.46 8.21 0.01 0.78 0.66 51 F C T 130.38 4.22 9.48 15.18 104.76 63.23 -88.25 5.39 82.65 2.88 14.46 14.03 25.68 44.02 3.46 9.78 0.03 1.51 1.49 52 K C T 144.62 2.69 10.72 14.69 101.65 27.57 -80.98 -10.84 80.71 4.82 14.47 20.42 30.79 30.96 3.37 9.73 0.03 2.53 2.18 53 H C C 115.51 4.25 9.97 15.84 108.45 49.01 -104.80 84.98 82.88 6.27 10.86 42.67 19.30 21.49 2.87 7.81 0.01 3.58 2.26 54 K C T 138.72 3.85 10.51 16.18 99.71 160.70 -78.14 -19.40 77.80 5.91 16.29 19.16 17.90 41.66 2.59 13.14 0.03 3.83 1.69 55 D C T 113.92 1.94 13.43 15.93 100.65 54.83 -87.26 9.99 79.30 6.35 14.35 21.83 17.26 41.04 2.03 11.88 0.01 4.69 1.24 56 S C C 41.74 9.59 9.87 20.95 115.76 115.21 -87.69 133.90 76.30 13.27 10.43 52.38 15.82 8.19 1.83 8.98 0.00 10.99 1.79 57 R C C 121.19 7.54 13.42 22.37 119.04 -161.15 -107.86 138.18 59.74 37.02 3.25 47.62 7.96 3.46 1.05 2.34 0.00 34.59 2.97 58 E E E 94.10 9.11 13.99 24.12 119.32 -155.17 -102.69 137.42 39.60 59.08 1.32 31.93 5.72 1.53 0.32 0.98 0.00 58.45 1.08 59 H E E 102.54 7.11 15.73 24.10 121.07 -143.22 -111.19 136.67 20.01 79.43 0.56 16.07 3.02 0.93 0.15 0.40 0.00 79.06 0.37 60 F E E 66.66 14.01 12.40 26.87 128.14 -172.09 -124.56 147.37 6.33 93.62 0.05 5.75 0.33 0.05 0.02 0.02 0.00 93.69 0.14 61 E E E 89.16 6.94 18.08 26.31 125.30 -162.47 -123.98 139.85 0.99 99.00 0.01 0.86 0.04 0.01 0.00 0.00 0.00 99.05 0.03 62 L E E 63.86 13.82 14.65 28.74 121.56 -154.95 -109.82 134.08 0.94 99.05 0.01 0.84 0.03 0.00 0.00 0.00 0.00 99.11 0.02 63 R E E 91.35 9.49 18.19 28.66 123.65 -170.65 -119.14 136.94 1.57 98.43 0.01 1.41 0.05 0.01 0.00 0.00 0.00 98.50 0.03 64 T E E 52.69 12.36 17.06 30.03 122.54 -159.54 -113.77 135.00 3.99 95.99 0.01 3.36 0.34 0.03 0.00 0.01 0.00 96.19 0.07 65 H E E 42.96 13.89 17.33 32.14 126.33 -171.29 -124.39 140.21 5.37 94.62 0.02 4.55 0.57 0.06 0.00 0.01 0.00 94.69 0.12 66 N E E 68.94 11.00 20.67 31.77 121.90 -152.74 -110.09 138.55 7.81 92.19 0.01 7.01 0.41 0.02 0.00 0.00 0.00 92.45 0.09 67 R E E 37.53 18.51 17.81 36.00 127.83 -173.37 -126.27 141.96 4.33 95.66 0.00 4.01 0.17 0.01 0.00 0.00 0.00 95.74 0.06 68 L E E 42.23 11.23 23.76 35.82 118.93 -146.83 -109.02 129.67 1.02 98.98 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.04 0.02 69 V E E 5.74 24.09 18.04 42.73 119.62 -164.28 -113.88 127.88 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 70 D E E 45.96 9.72 26.22 36.60 115.39 -160.74 -106.73 123.53 0.33 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 71 I E E 9.77 22.98 16.65 40.16 114.57 -161.71 -105.85 121.27 3.82 96.17 0.01 3.70 0.10 0.01 0.01 0.01 0.00 96.02 0.16 72 I E E 61.83 9.06 20.99 30.77 120.05 -164.40 -101.29 142.62 34.26 65.69 0.05 15.08 18.53 0.85 0.01 0.05 0.00 65.04 0.45 73 N C S 106.14 3.69 22.37 26.43 95.20 4.10 59.67 51.70 89.19 10.79 0.02 10.25 77.17 1.06 0.00 0.02 0.00 11.31 0.18 74 P C C 17.70 22.63 9.63 31.27 117.44 -163.70 -71.60 145.98 94.57 5.34 0.10 89.04 5.54 0.35 0.03 0.06 0.00 4.18 0.81 75 N C C 72.59 4.11 20.70 24.65 123.00 -131.21 -84.68 166.46 98.99 0.73 0.29 97.75 1.27 0.16 0.18 0.04 0.00 0.25 0.35 76 R H H 158.34 4.45 14.82 21.14 91.27 -98.51 -59.45 -36.38 3.70 0.01 96.30 0.34 0.56 2.66 95.74 0.69 0.00 0.00 0.00 77 K H H 133.19 1.72 18.81 19.72 91.74 53.08 -64.93 -39.91 2.51 0.00 97.49 0.19 0.21 2.01 96.75 0.82 0.00 0.00 0.00 78 T H H 18.01 16.18 15.09 31.83 92.38 48.62 -65.96 -41.89 1.02 0.00 98.98 0.15 0.08 0.68 98.31 0.77 0.00 0.00 0.00 79 I H H 20.72 18.87 15.02 33.87 91.34 51.27 -62.75 -42.98 0.23 0.00 99.77 0.04 0.02 0.13 99.50 0.31 0.00 0.00 0.00 80 E H H 106.51 2.84 21.45 23.73 91.43 50.58 -63.68 -40.71 0.40 0.00 99.60 0.04 0.02 0.29 98.95 0.71 0.00 0.00 0.00 81 Q H H 77.22 6.47 19.66 26.90 91.93 50.80 -65.14 -40.53 0.96 0.00 99.04 0.06 0.04 0.78 97.75 1.37 0.00 0.00 0.00 82 L H H 11.10 23.03 13.99 36.75 92.23 51.71 -66.08 -37.39 2.83 0.01 97.16 0.16 0.14 2.38 94.71 2.59 0.00 0.00 0.00 83 M H H 77.99 12.74 16.79 29.55 91.41 58.36 -69.68 -22.38 29.39 0.09 70.52 1.29 1.15 26.74 67.51 3.17 0.04 0.04 0.06 84 T C T 102.69 1.69 19.55 20.46 94.98 56.22 -86.45 -6.46 64.12 0.23 35.64 4.05 3.04 55.27 34.11 3.27 0.01 0.10 0.15 85 L C C 44.77 16.38 9.94 26.10 117.22 103.89 -78.48 142.67 93.83 1.66 4.51 54.71 32.57 6.39 3.54 1.12 0.00 0.63 1.02 86 D C C 117.61 1.64 20.75 21.79 108.51 -126.85 -87.63 110.11 95.52 3.77 0.70 89.82 3.31 2.52 0.32 0.29 0.00 2.07 1.68 87 L C C 34.98 21.88 10.03 30.30 120.49 -169.33 -99.66 138.58 97.45 2.51 0.04 91.03 6.56 0.08 0.02 0.02 0.00 0.97 1.34 88 P C C 49.82 7.91 16.92 26.49 116.21 -107.81 -65.24 153.67 99.37 0.52 0.11 98.40 0.81 0.31 0.02 0.05 0.00 0.22 0.19 89 T C T 102.49 3.39 16.50 21.35 111.19 -87.77 -62.67 138.45 98.97 0.50 0.54 1.35 6.91 90.76 0.05 0.44 0.00 0.31 0.17 90 G C T 44.98 4.37 17.92 23.39 95.73 24.48 86.93 -4.99 98.74 0.89 0.37 2.54 6.15 90.06 0.02 0.37 0.00 0.77 0.08 91 V C C 20.59 20.42 10.65 30.74 119.29 118.25 -97.78 134.41 72.26 27.64 0.10 66.58 4.43 0.27 0.02 0.10 0.00 27.70 0.90 92 E E E 110.06 4.05 23.82 28.01 113.91 -145.05 -98.19 124.80 23.53 76.41 0.06 22.76 0.58 0.09 0.01 0.04 0.00 76.04 0.48 93 I E E 23.92 23.79 11.86 34.89 124.02 -170.08 -119.91 134.97 11.91 88.08 0.01 11.62 0.15 0.01 0.00 0.00 0.00 88.10 0.11 94 E E E 92.15 4.91 24.94 30.02 121.90 -167.14 -118.58 134.48 6.34 93.65 0.01 6.22 0.06 0.01 0.00 0.00 0.00 93.64 0.07 95 I E E 38.76 21.36 12.75 33.21 121.07 -160.23 -113.72 130.37 7.14 92.85 0.01 7.09 0.05 0.01 0.00 0.00 0.00 92.75 0.10 96 K E E 101.51 5.05 20.51 26.50 125.87 -174.90 -125.63 143.55 9.00 90.99 0.02 8.63 0.16 0.02 0.00 0.01 0.00 90.98 0.19 97 T E E 69.48 11.64 12.11 24.30 117.88 -139.68 -99.51 131.40 22.95 77.01 0.03 22.91 0.24 0.04 0.01 0.02 0.00 76.13 0.65 98 V C C 75.85 7.41 14.89 23.59 118.58 -166.69 -112.27 132.56 98.16 1.84 0.00 98.21 0.07 0.01 0.00 0.00 0.00 1.69 0.02