# 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 109.04 4.88 12.51 18.65 108.77 -148.24 -84.77 117.91 99.67 0.12 0.22 99.52 0.13 0.12 0.16 0.01 0.00 0.05 0.02 1 I C C 98.14 4.61 10.36 16.50 104.48 70.16 -78.69 2.38 65.76 1.00 33.24 61.27 1.13 3.28 32.36 1.14 0.00 0.44 0.38 2 R H H 142.30 3.25 12.23 16.54 96.83 69.66 -68.31 -39.49 39.14 0.55 60.31 30.75 3.97 4.51 58.49 1.85 0.00 0.24 0.20 3 E H H 105.44 5.56 12.45 19.25 93.99 55.56 -65.94 -39.02 16.49 0.28 83.23 10.57 2.38 4.19 79.91 2.71 0.00 0.14 0.09 4 E H H 105.34 3.64 14.49 19.10 92.57 51.57 -65.70 -39.39 9.01 0.17 90.82 4.89 1.37 3.15 87.41 3.01 0.00 0.10 0.05 5 R H H 115.88 4.71 15.98 21.71 92.42 51.56 -65.87 -39.75 6.39 0.14 93.47 3.06 0.97 2.71 90.09 3.04 0.01 0.09 0.04 6 L H H 49.66 11.64 14.94 27.46 92.38 51.51 -65.28 -40.18 4.77 0.13 95.10 1.91 0.65 2.40 91.48 3.41 0.01 0.10 0.03 7 L H H 61.98 9.76 16.63 27.36 92.13 52.29 -65.44 -38.02 4.97 0.23 94.80 1.74 0.67 2.69 89.79 4.85 0.02 0.18 0.05 8 K H H 110.97 4.80 20.13 25.40 92.32 53.76 -65.67 -37.07 9.17 0.66 90.17 2.23 1.15 5.88 83.39 6.61 0.06 0.52 0.15 9 V H H 43.53 13.28 17.79 31.46 93.33 51.78 -67.98 -37.25 14.24 1.90 83.86 2.75 1.93 9.87 76.79 6.50 0.23 1.54 0.38 10 L H H 42.42 17.57 17.08 34.25 96.02 55.57 -77.82 -16.28 22.29 18.59 59.12 6.81 4.31 12.69 55.03 4.52 0.41 12.75 3.48 11 R C E 118.31 9.41 20.41 29.81 99.94 69.25 -85.51 1.81 40.32 39.18 20.50 21.15 9.89 10.03 19.46 2.90 0.53 25.91 10.14 12 A C C 42.90 12.73 17.00 29.93 121.13 103.45 -101.75 137.84 77.83 21.28 0.89 49.88 27.51 1.18 0.58 0.34 0.00 18.64 1.86 13 P C C 58.65 12.19 17.11 29.50 114.55 -106.64 -67.30 148.99 80.13 18.64 1.23 68.42 8.88 2.01 0.57 0.65 0.00 17.47 2.01 14 H C C 99.07 10.57 18.19 29.10 111.35 -121.99 -86.65 124.04 72.59 25.91 1.50 57.01 12.30 2.26 0.84 0.84 0.01 16.87 9.87 15 V C C 44.07 17.33 11.97 28.63 122.67 -154.75 -108.59 136.59 83.05 15.83 1.11 71.61 10.05 1.05 0.74 0.47 0.00 9.98 6.09 16 S C C 48.66 5.53 16.33 22.93 124.03 -140.43 -85.38 169.09 95.73 3.13 1.13 88.64 6.85 0.50 1.06 0.18 0.00 1.81 0.95 17 E H H 151.36 1.59 14.96 17.15 91.12 -97.01 -59.11 -36.98 12.79 0.11 87.10 2.02 3.51 7.96 84.64 1.70 0.05 0.04 0.06 18 K H H 133.03 2.30 17.23 19.73 91.72 52.41 -64.89 -39.31 11.63 0.11 88.26 1.65 1.83 8.60 85.65 2.11 0.06 0.05 0.05 19 A H H 14.38 17.20 12.35 29.74 92.21 50.26 -66.05 -40.22 7.43 0.18 92.40 2.54 1.36 4.06 89.57 2.29 0.03 0.10 0.06 20 S H H 41.51 9.27 16.42 26.77 92.09 52.70 -63.84 -41.02 5.15 0.18 94.67 2.39 0.89 2.16 93.07 1.33 0.01 0.10 0.05 21 T H H 75.78 1.83 20.66 20.72 92.20 49.93 -64.67 -41.18 5.35 0.25 94.40 2.02 0.90 2.76 92.91 1.17 0.02 0.15 0.06 22 A H H 27.71 8.29 15.58 25.95 92.22 50.92 -65.01 -40.72 4.92 0.28 94.80 1.81 0.86 2.57 93.32 1.18 0.03 0.16 0.07 23 M H H 45.84 15.54 12.35 27.76 92.73 51.48 -65.23 -40.13 5.70 0.26 94.04 2.05 0.88 3.07 92.16 1.59 0.03 0.16 0.06 24 E H H 134.27 2.55 16.59 19.73 92.94 49.63 -67.17 -37.34 7.86 0.13 92.01 1.70 0.91 5.32 90.17 1.74 0.03 0.08 0.04 25 K H H 153.78 1.12 16.48 16.42 95.29 43.92 -76.13 -31.70 14.19 0.12 85.69 1.64 1.70 10.99 84.00 1.49 0.06 0.05 0.06 26 S H H 56.54 6.55 14.59 22.25 103.11 26.62 -105.14 -2.31 36.27 0.17 63.56 4.14 6.44 24.95 62.93 1.31 0.06 0.05 0.13 27 N C T 90.56 7.98 17.08 26.25 95.11 -121.89 56.50 39.23 99.12 0.52 0.36 25.12 13.77 60.33 0.09 0.21 0.00 0.43 0.06 28 T E E 24.60 14.68 18.20 33.77 128.48 132.49 -118.39 149.33 41.59 58.38 0.03 36.56 3.73 0.13 0.01 0.02 0.00 59.03 0.52 29 I E E 13.84 20.03 20.96 41.25 117.25 -134.57 -100.79 129.01 6.01 93.98 0.01 6.13 0.13 0.01 0.00 0.00 0.00 93.58 0.16 30 V E E 23.33 15.90 25.07 41.18 118.48 -158.09 -109.16 128.03 2.78 97.22 0.00 2.85 0.03 0.00 0.00 0.00 0.00 97.08 0.04 31 L E E 6.00 24.05 20.71 44.75 123.23 -168.97 -116.39 133.98 0.70 99.30 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.33 0.01 32 K E E 69.12 11.79 27.09 39.19 115.52 -148.56 -101.00 125.90 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 33 V E E 5.68 24.22 16.84 41.32 132.74 176.85 -131.44 151.85 2.02 97.98 0.00 2.07 0.03 0.00 0.00 0.00 0.00 97.72 0.18 34 A E E 25.14 10.20 21.22 32.88 113.42 -101.94 -67.19 142.41 39.64 60.31 0.04 39.22 0.81 0.13 0.01 0.04 0.00 59.04 0.76 35 K C T 105.47 11.97 16.23 28.64 91.43 -124.14 -62.71 -27.97 98.69 0.79 0.52 0.62 4.64 93.67 0.02 0.46 0.00 0.51 0.09 36 D C T 114.28 1.54 21.20 21.74 93.76 56.96 -88.42 1.00 99.38 0.24 0.38 0.64 3.97 94.81 0.01 0.39 0.00 0.16 0.02 37 A C C 10.02 21.38 9.29 30.26 116.21 123.64 -69.77 141.69 99.17 0.73 0.10 78.88 20.22 0.17 0.03 0.06 0.00 0.31 0.32 38 T C C 66.92 3.19 24.20 26.09 124.61 -138.69 -91.45 164.39 87.97 11.90 0.13 87.81 0.62 0.02 0.10 0.01 0.00 1.21 10.22 39 K H H 92.72 14.97 14.38 28.91 91.01 -105.82 -57.88 -38.59 0.72 0.00 99.28 0.09 0.08 0.41 99.33 0.09 0.00 0.00 0.00 40 A H H 70.82 2.19 21.74 23.02 91.46 53.03 -63.89 -40.43 0.23 0.00 99.77 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 41 E H H 77.78 8.66 20.80 29.93 91.86 48.84 -65.49 -40.63 0.06 0.00 99.94 0.01 0.00 0.03 99.91 0.05 0.00 0.00 0.00 42 I H H 2.06 26.79 15.08 42.68 91.10 49.40 -63.58 -43.84 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 43 K H H 80.84 13.59 21.88 34.56 91.27 50.91 -61.82 -42.18 0.04 0.00 99.96 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 44 A H H 53.94 2.71 25.36 26.92 91.48 50.14 -63.58 -42.31 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 45 A H H 10.91 15.21 20.66 36.77 91.48 50.03 -64.07 -42.76 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 46 V H H 2.17 26.31 16.37 43.26 91.39 49.25 -64.48 -42.74 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 47 Q H H 82.56 9.81 19.59 29.65 91.88 51.43 -63.59 -40.26 0.11 0.00 99.89 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 48 K H H 133.66 2.45 21.68 23.76 92.31 49.63 -66.72 -39.09 0.60 0.00 99.40 0.02 0.02 0.57 99.31 0.08 0.00 0.00 0.00 49 L H H 41.62 15.75 17.05 32.45 96.51 40.16 -79.74 -36.31 2.36 0.00 97.64 0.04 0.07 2.27 97.53 0.09 0.00 0.00 0.00 50 F H H 27.88 19.57 14.44 33.67 105.67 24.80 -112.98 3.08 27.21 0.09 72.70 2.31 4.10 19.28 73.81 0.39 0.02 0.02 0.07 51 E C T 143.62 2.30 21.70 23.97 95.59 -124.08 51.95 47.81 99.60 0.14 0.26 24.60 12.33 62.75 0.11 0.08 0.00 0.09 0.03 52 V C C 18.27 19.81 11.50 31.27 129.86 134.47 -122.98 150.11 92.78 7.18 0.04 77.70 14.84 0.25 0.01 0.03 0.00 6.80 0.38 53 E C C 113.37 3.29 24.63 27.55 111.87 -126.43 -88.04 127.75 83.35 16.63 0.02 83.38 0.61 0.05 0.00 0.01 0.00 15.67 0.28 54 V E E 18.42 23.57 10.43 33.29 113.55 -146.49 -89.17 123.88 27.73 72.23 0.04 29.00 0.24 0.02 0.01 0.02 0.00 69.66 1.05 55 E E E 111.79 3.46 21.46 25.16 98.62 -172.28 -89.10 -34.57 29.67 70.29 0.04 14.89 14.75 0.29 0.00 0.03 0.00 69.89 0.14 56 V E E 67.84 5.40 22.94 29.02 138.21 1.09 -152.85 150.50 6.52 93.46 0.02 4.56 1.31 0.11 0.00 0.01 0.00 93.95 0.04 57 V E E 28.43 23.07 11.98 33.97 125.83 -166.89 -131.28 131.73 2.35 97.65 0.00 2.11 0.08 0.00 0.00 0.00 0.00 97.78 0.03 58 N E E 70.86 5.81 24.69 30.69 127.18 -174.96 -126.44 141.43 1.92 98.07 0.00 1.63 0.08 0.00 0.00 0.00 0.00 98.27 0.01 59 T E E 42.62 19.44 13.72 32.12 124.38 -158.18 -117.54 136.41 1.68 98.32 0.00 1.54 0.04 0.00 0.00 0.00 0.00 98.41 0.01 60 L E E 61.47 8.92 19.20 29.31 123.32 -167.54 -121.03 135.61 0.97 99.03 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.06 0.03 61 V E E 70.23 10.42 16.24 27.73 116.30 -146.72 -103.15 124.69 2.01 97.99 0.00 1.77 0.09 0.00 0.00 0.00 0.00 98.08 0.05 62 V E E 47.22 11.43 13.47 26.48 119.94 -168.05 -112.68 130.63 10.55 89.43 0.02 9.99 0.43 0.04 0.00 0.01 0.00 89.22 0.30 63 K E E 141.25 3.01 17.01 21.18 114.35 -136.97 -88.23 131.58 34.48 65.43 0.09 28.86 3.96 0.49 0.01 0.07 0.00 66.27 0.34 64 G E E 27.87 12.16 10.27 22.53 126.48 -133.28 -93.56 167.68 41.77 58.14 0.09 33.05 7.02 0.78 0.01 0.08 0.00 58.65 0.41 65 K E E 129.16 2.97 16.17 19.99 121.11 -97.81 -106.49 144.88 17.69 82.26 0.06 16.49 0.99 0.11 0.01 0.03 0.00 81.85 0.51 66 V E E 85.82 8.33 10.21 19.98 117.85 -131.63 -96.52 133.16 7.89 92.08 0.02 7.58 0.29 0.03 0.01 0.01 0.00 91.83 0.25 67 K E E 106.85 4.35 11.95 18.29 124.21 -172.04 -122.09 142.01 3.57 96.40 0.02 3.15 0.24 0.04 0.00 0.01 0.00 96.46 0.10 68 R E E 159.68 3.09 9.08 14.44 116.08 -135.99 -96.73 128.22 7.25 92.72 0.04 6.25 0.56 0.09 0.01 0.02 0.00 92.85 0.22 69 H E E 123.76 2.87 8.24 13.04 114.63 -178.34 -124.38 106.09 26.74 73.09 0.17 21.96 3.32 0.81 0.04 0.14 0.00 73.13 0.60 70 G C T 65.94 0.36 10.54 9.54 108.38 -50.62 62.76 -125.13 98.96 0.66 0.39 6.59 22.43 69.86 0.03 0.44 0.00 0.56 0.09 71 Q C T 165.85 0.37 9.18 8.64 97.34 -19.49 -90.85 0.52 99.05 0.55 0.40 6.76 22.58 69.62 0.03 0.46 0.00 0.47 0.08 72 R E E 147.41 2.29 8.67 12.95 122.42 88.33 -106.55 142.35 22.90 76.99 0.11 16.37 6.56 0.90 0.02 0.10 0.00 75.09 0.97 73 I E E 116.27 3.85 9.01 15.11 119.57 -148.35 -104.66 135.63 9.70 90.28 0.02 8.25 0.76 0.09 0.00 0.01 0.00 90.67 0.22 74 G E E 32.19 4.85 12.26 18.89 135.18 159.06 -141.39 174.03 5.86 94.12 0.01 4.67 0.71 0.09 0.00 0.01 0.00 94.43 0.10 75 R E E 151.44 4.14 12.73 18.98 121.50 -96.16 -108.78 142.73 5.13 94.86 0.01 4.70 0.30 0.02 0.00 0.01 0.00 94.36 0.62 76 R E E 108.52 9.46 11.57 22.16 121.81 -153.11 -106.87 145.17 35.22 64.72 0.06 33.36 1.28 0.13 0.01 0.04 0.00 64.35 0.83 77 S C C 59.45 6.63 14.49 22.43 117.11 -120.79 -83.20 151.64 69.87 30.05 0.08 53.19 13.01 1.07 0.01 0.09 0.00 32.27 0.36 78 D C C 73.65 8.20 15.66 24.76 108.81 -123.73 -90.85 86.56 67.46 32.46 0.09 45.98 17.36 1.35 0.01 0.10 0.00 34.87 0.33 79 W E E 78.34 12.70 15.65 29.13 127.56 111.18 -118.90 147.56 18.32 81.67 0.01 16.80 0.98 0.05 0.00 0.01 0.00 81.66 0.49 80 K E E 45.96 14.88 17.87 33.29 126.44 -162.00 -121.80 141.32 2.85 97.15 0.00 2.53 0.11 0.00 0.00 0.00 0.00 97.28 0.07 81 K E E 67.18 12.60 22.03 34.69 123.52 -144.46 -110.98 138.18 0.90 99.09 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.16 0.01 82 A E E 6.94 21.75 17.71 40.01 125.34 -163.47 -119.42 139.81 0.81 99.19 0.00 0.78 0.01 0.00 0.00 0.00 0.00 99.19 0.01 83 Y E E 63.28 11.35 24.86 36.85 119.30 -155.18 -110.25 128.57 0.37 99.63 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 84 V E E 7.09 23.46 18.41 42.36 122.23 -167.51 -116.88 131.84 0.58 99.41 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 85 T E E 40.69 10.00 25.92 36.57 121.16 -162.24 -113.55 132.96 1.94 98.06 0.00 1.83 0.05 0.00 0.00 0.00 0.00 98.06 0.06 86 L E E 11.93 22.68 13.76 36.41 123.86 -163.56 -111.10 143.68 20.93 79.06 0.02 20.54 0.51 0.03 0.00 0.01 0.00 77.92 0.98 87 K C C 101.95 5.11 20.70 26.08 118.30 -120.99 -81.24 151.30 86.23 13.57 0.20 82.85 2.51 0.37 0.04 0.16 0.00 13.32 0.76 88 E C T 126.91 5.98 14.29 22.04 109.68 -89.85 -61.15 135.81 95.06 3.57 1.36 2.31 7.78 85.42 0.10 1.20 0.00 2.67 0.51 89 G C T 57.12 2.01 15.66 17.97 97.67 21.66 85.97 -3.78 96.96 1.99 1.05 4.51 7.07 85.27 0.06 1.14 0.00 1.78 0.17 90 Q C C 73.53 10.80 10.29 22.00 115.58 131.32 -78.81 140.17 88.26 10.42 1.32 80.06 6.42 1.54 0.23 1.19 0.00 8.98 1.59 91 N C C 120.20 2.56 15.85 19.65 112.35 -138.99 -94.00 124.81 67.06 32.49 0.45 65.66 0.99 0.72 0.20 0.21 0.00 18.05 14.17 92 L C C 57.53 17.46 11.51 27.63 102.36 -166.44 -89.02 5.75 99.74 0.25 0.00 99.74 0.06 0.01 0.00 0.00 0.00 0.17 0.01