# 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 I C C 50.40 15.15 12.07 27.19 112.53 -150.79 -93.02 121.24 99.83 0.11 0.07 99.72 0.12 0.05 0.04 0.00 0.00 0.04 0.02 1 R C C 135.79 3.50 15.25 19.38 110.51 -143.48 -79.12 137.78 88.62 0.47 10.91 86.55 0.61 1.43 10.67 0.36 0.00 0.16 0.21 2 E H H 112.07 6.67 12.23 20.05 95.61 -119.44 -63.87 -38.91 12.99 0.14 86.87 5.83 2.27 5.43 81.68 4.65 0.01 0.06 0.06 3 E H H 119.86 2.89 14.50 18.05 93.15 52.64 -65.91 -38.18 7.96 0.08 91.96 2.50 1.14 4.36 86.13 5.77 0.01 0.04 0.03 4 R H H 116.08 4.73 15.52 21.36 92.75 50.94 -66.54 -39.19 4.80 0.08 95.11 1.73 0.71 2.48 88.08 6.91 0.01 0.06 0.02 5 L H H 41.07 13.68 13.84 28.10 92.36 51.93 -65.05 -40.37 3.71 0.09 96.20 1.24 0.51 2.08 90.71 5.36 0.01 0.07 0.02 6 L H H 61.67 10.33 16.26 27.47 91.75 52.36 -65.13 -36.73 4.72 0.16 95.12 1.25 0.59 2.91 87.87 7.19 0.02 0.12 0.04 7 K H H 115.93 4.27 20.17 24.96 92.20 55.65 -65.89 -34.79 9.95 0.37 89.68 1.64 1.11 7.04 80.62 9.16 0.07 0.27 0.10 8 V H H 41.67 14.00 17.80 32.00 93.66 52.63 -69.89 -32.26 16.62 1.26 82.12 2.24 2.12 12.50 73.99 7.56 0.32 0.95 0.31 9 L H H 36.56 18.59 17.13 35.35 97.48 54.45 -84.11 -6.35 22.37 25.43 52.20 6.73 4.45 12.52 47.92 5.10 0.72 18.66 3.88 10 R E E 109.72 10.78 19.82 30.65 111.42 96.54 -86.12 113.26 35.48 57.35 7.17 23.62 8.33 3.81 7.20 1.66 0.16 41.63 13.59 11 A C C 42.04 13.05 17.41 30.63 125.27 121.82 -114.27 141.61 61.81 37.72 0.47 46.62 14.46 0.67 0.28 0.22 0.00 35.32 2.43 12 P C C 61.04 11.51 17.79 29.53 114.89 -104.22 -67.78 148.99 71.15 28.06 0.78 59.35 8.97 1.58 0.30 0.48 0.00 27.67 1.65 13 H C C 94.66 11.47 17.42 29.16 111.34 -119.61 -84.46 121.90 74.92 23.71 1.37 60.42 11.05 2.22 0.71 0.82 0.00 17.07 7.70 14 V C C 49.78 15.89 12.52 28.09 120.42 -157.00 -110.51 134.25 86.15 12.81 1.04 73.35 11.23 1.35 0.65 0.46 0.00 8.33 4.62 15 S C C 48.94 5.67 15.74 22.53 125.68 -144.03 -91.76 171.52 95.23 3.18 1.59 82.35 12.10 0.88 1.49 0.30 0.00 1.64 1.23 16 E H H 152.04 1.53 14.76 16.85 91.40 -97.46 -59.40 -36.92 15.90 0.16 83.94 2.82 4.88 9.34 80.54 2.20 0.08 0.06 0.09 17 K H H 133.90 2.24 16.86 19.31 92.03 51.82 -65.21 -39.10 14.37 0.16 85.47 2.31 2.54 10.19 81.99 2.73 0.09 0.07 0.08 18 A H H 15.88 16.53 12.25 29.05 92.43 49.63 -66.17 -40.00 10.11 0.28 89.62 3.70 1.92 5.30 85.69 3.09 0.04 0.16 0.10 19 S H H 42.15 9.15 16.07 26.35 92.33 52.87 -63.83 -40.87 7.44 0.29 92.27 3.60 1.35 3.03 89.83 1.93 0.02 0.17 0.08 20 T H H 76.27 1.87 20.40 20.61 92.29 50.22 -64.88 -40.93 7.76 0.39 91.84 3.19 1.43 3.77 89.54 1.69 0.04 0.24 0.11 21 A H H 28.75 8.04 15.55 25.67 92.43 51.04 -65.22 -40.68 6.87 0.47 92.66 2.92 1.28 3.30 90.36 1.69 0.04 0.30 0.12 22 M H H 45.52 15.45 12.25 27.61 92.97 51.57 -65.27 -40.21 6.75 0.40 92.85 2.73 1.13 3.42 90.10 2.21 0.03 0.28 0.10 23 E H H 133.63 2.62 16.45 19.73 93.03 49.42 -67.18 -37.60 8.62 0.20 91.18 2.13 1.11 5.59 88.60 2.34 0.04 0.13 0.06 24 K H H 154.02 1.11 16.43 16.38 95.45 43.50 -76.48 -32.25 15.08 0.16 84.76 1.97 1.97 11.42 82.44 1.96 0.08 0.07 0.08 25 S H H 56.92 6.50 14.51 22.14 102.64 27.07 -104.82 -1.58 37.38 0.23 62.40 4.56 7.32 25.15 61.10 1.56 0.08 0.07 0.16 26 N C T 90.80 7.89 17.06 26.13 94.89 -122.43 56.62 39.85 98.88 0.68 0.44 29.11 12.72 57.15 0.12 0.24 0.00 0.58 0.08 27 T E E 24.87 14.90 17.78 33.49 126.95 137.61 -113.96 148.43 46.04 53.92 0.04 40.84 3.75 0.14 0.01 0.03 0.00 54.66 0.57 28 I E E 15.93 19.49 21.10 40.80 116.91 -134.17 -100.07 128.83 8.02 91.97 0.01 8.08 0.18 0.01 0.00 0.00 0.00 91.53 0.19 29 V E E 24.13 16.06 24.81 41.00 118.77 -158.87 -109.21 128.18 3.35 96.65 0.00 3.43 0.04 0.00 0.00 0.00 0.00 96.48 0.05 30 L E E 6.48 23.82 20.65 44.42 123.67 -169.14 -116.73 135.82 0.82 99.18 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.21 0.01 31 K E E 70.25 11.78 26.98 39.04 116.58 -147.83 -102.24 126.24 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 32 V E E 5.91 24.21 16.75 41.18 131.99 -174.49 -128.76 150.39 1.99 98.01 0.00 2.03 0.03 0.00 0.00 0.00 0.00 97.75 0.18 33 A E E 25.67 10.04 21.15 32.64 113.44 -103.68 -67.32 142.85 41.27 58.69 0.04 40.94 0.80 0.13 0.01 0.04 0.00 57.31 0.78 34 K C T 106.56 11.79 16.09 28.36 91.42 -122.70 -62.35 -28.36 98.74 0.80 0.46 0.59 4.43 93.96 0.02 0.40 0.00 0.51 0.09 35 D C T 115.01 1.47 21.07 21.43 93.78 57.26 -89.11 0.30 99.43 0.24 0.33 0.60 3.84 95.04 0.01 0.33 0.00 0.16 0.02 36 A C C 10.64 21.09 9.25 29.92 116.36 123.14 -69.91 142.05 99.16 0.74 0.10 77.85 21.24 0.18 0.03 0.06 0.00 0.31 0.33 37 T C C 67.46 3.09 24.02 25.77 124.45 -138.77 -90.89 164.40 89.66 10.20 0.13 89.48 0.65 0.03 0.10 0.01 0.00 1.16 8.57 38 K H H 94.53 14.70 14.34 28.65 91.01 -105.52 -57.83 -38.57 0.74 0.00 99.26 0.09 0.09 0.42 99.31 0.09 0.00 0.00 0.00 39 A H H 70.67 2.20 21.62 22.91 91.46 53.07 -63.79 -40.44 0.24 0.00 99.76 0.02 0.01 0.16 99.74 0.07 0.00 0.00 0.00 40 E H H 78.86 8.47 20.80 29.75 91.90 48.83 -65.56 -40.65 0.06 0.00 99.94 0.01 0.00 0.04 99.91 0.05 0.00 0.00 0.00 41 I H H 2.14 26.65 15.07 42.49 91.06 49.52 -63.62 -43.80 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 42 K H H 80.59 13.58 21.86 34.54 91.27 50.85 -61.83 -42.14 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 43 A H H 53.96 2.69 25.41 26.94 91.50 50.17 -63.53 -42.30 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 44 A H H 10.76 15.20 20.68 36.80 91.51 50.10 -64.17 -42.74 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 45 V H H 2.04 26.41 16.38 43.41 91.39 49.16 -64.51 -42.75 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 46 Q H H 82.22 9.85 19.58 29.68 91.84 51.32 -63.44 -40.37 0.11 0.00 99.89 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 47 K H H 133.74 2.43 21.70 23.76 92.29 49.59 -66.65 -39.09 0.54 0.00 99.46 0.02 0.01 0.52 99.37 0.08 0.00 0.00 0.00 48 L H H 41.44 15.79 17.10 32.52 96.65 40.12 -79.63 -36.39 2.19 0.00 97.81 0.04 0.07 2.11 97.71 0.09 0.00 0.00 0.00 49 F H H 28.07 19.46 14.55 33.71 105.52 24.40 -112.61 1.11 25.33 0.07 74.61 1.82 3.59 18.40 75.75 0.36 0.02 0.01 0.06 50 E C T 143.05 2.36 21.74 24.11 95.28 -124.56 54.14 46.28 99.63 0.12 0.24 23.64 12.81 63.26 0.11 0.08 0.00 0.07 0.03 51 V C C 17.51 20.01 11.57 31.53 129.62 135.02 -122.55 149.82 92.90 7.06 0.04 78.68 13.99 0.21 0.01 0.02 0.00 6.70 0.38 52 E C C 111.90 3.41 24.74 27.83 111.96 -127.43 -88.35 128.15 83.57 16.41 0.02 83.65 0.59 0.05 0.00 0.01 0.00 15.44 0.26 53 V E E 17.59 23.68 10.60 33.67 113.37 -146.47 -90.01 123.85 30.08 69.88 0.04 31.43 0.24 0.02 0.01 0.02 0.00 67.23 1.04 54 E E E 110.63 3.61 21.65 25.54 98.72 -173.85 -89.12 -34.45 32.68 67.28 0.04 15.51 17.12 0.30 0.00 0.03 0.00 66.88 0.15 55 V E E 66.57 5.54 23.18 29.43 138.49 0.98 -153.08 150.87 6.47 93.51 0.02 4.41 1.47 0.13 0.00 0.01 0.00 93.93 0.04 56 V E E 26.14 23.35 12.19 34.55 125.61 -167.13 -131.10 131.57 2.42 97.58 0.00 2.16 0.08 0.00 0.00 0.00 0.00 97.73 0.02 57 N E E 69.83 5.91 25.01 31.13 128.13 -174.97 -127.73 143.27 1.73 98.27 0.00 1.47 0.07 0.00 0.00 0.00 0.00 98.45 0.01 58 T E E 41.49 19.78 13.84 32.52 124.58 -156.75 -117.32 135.94 1.42 98.57 0.00 1.32 0.03 0.00 0.00 0.00 0.00 98.64 0.01 59 L E E 60.51 8.96 19.57 29.69 123.46 -167.64 -120.93 135.56 0.91 99.09 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.11 0.03 60 V E E 69.63 10.77 16.34 28.09 116.19 -145.66 -102.55 124.99 1.91 98.09 0.00 1.71 0.08 0.00 0.00 0.00 0.00 98.15 0.05 61 V E E 46.93 11.41 13.79 26.78 120.29 -169.02 -112.85 132.33 10.44 89.55 0.02 9.97 0.40 0.04 0.00 0.01 0.00 89.24 0.34 62 K E E 141.83 2.98 17.24 21.36 113.89 -131.35 -85.47 131.56 35.57 64.36 0.08 30.20 3.60 0.41 0.01 0.06 0.00 65.40 0.32 63 G E E 26.76 12.64 10.23 22.85 126.85 -138.78 -111.77 167.02 42.92 57.00 0.07 34.36 6.77 0.65 0.01 0.07 0.00 57.75 0.38 64 K E E 128.81 2.95 16.56 20.27 121.51 -95.51 -106.72 144.39 16.82 83.14 0.04 15.83 0.84 0.08 0.01 0.02 0.00 82.74 0.47 65 V E E 84.18 8.69 10.32 20.37 117.52 -130.32 -94.99 133.09 7.05 92.93 0.02 6.86 0.21 0.02 0.00 0.01 0.00 92.67 0.22 66 K E E 104.88 4.50 12.13 18.61 124.35 -171.75 -123.34 142.17 2.88 97.10 0.01 2.56 0.17 0.02 0.00 0.00 0.00 97.15 0.09 67 R E E 158.36 3.21 9.19 14.69 116.11 -136.98 -97.13 128.02 6.44 93.53 0.03 5.56 0.48 0.08 0.01 0.01 0.00 93.69 0.18 68 H E E 122.97 2.92 8.36 13.22 114.48 -178.49 -124.72 106.08 26.10 73.75 0.15 21.45 3.15 0.74 0.03 0.12 0.00 73.98 0.53 69 G C T 65.81 0.37 10.62 9.64 108.40 -50.81 62.73 -124.88 99.02 0.62 0.36 6.17 22.19 70.59 0.02 0.41 0.00 0.54 0.08 70 Q C T 165.60 0.38 9.27 8.75 97.44 -19.36 -90.93 0.41 99.11 0.53 0.36 6.43 22.05 70.55 0.02 0.43 0.00 0.45 0.07 71 R E E 146.32 2.39 8.75 13.16 122.11 88.19 -106.48 141.92 21.82 78.09 0.09 16.07 5.75 0.73 0.02 0.08 0.00 76.47 0.87 72 I E E 115.56 3.93 9.17 15.36 119.72 -150.01 -105.39 135.63 8.87 91.12 0.02 7.56 0.64 0.06 0.00 0.01 0.00 91.54 0.18 73 G E E 31.72 4.97 12.42 19.18 135.75 152.43 -142.42 174.71 4.93 95.06 0.01 3.96 0.53 0.05 0.00 0.00 0.00 95.37 0.08 74 R E E 149.30 4.23 13.11 19.41 121.38 -91.66 -108.60 143.19 4.50 95.49 0.01 4.16 0.23 0.02 0.00 0.00 0.00 95.06 0.52 75 R E E 108.29 9.90 11.78 22.65 121.07 -149.91 -103.24 142.54 35.59 64.35 0.06 33.48 1.42 0.14 0.01 0.04 0.00 64.09 0.83 76 S C C 55.82 7.20 14.66 23.14 117.84 -118.73 -84.93 151.22 71.54 28.37 0.09 56.90 11.04 0.95 0.01 0.10 0.00 30.58 0.40 77 D C C 73.95 8.33 16.08 25.33 103.73 -127.43 -89.35 58.56 72.29 27.61 0.10 47.36 21.39 1.44 0.01 0.12 0.00 29.30 0.38 78 W E E 74.30 12.76 16.26 29.78 126.11 109.97 -117.73 146.34 23.61 76.37 0.02 21.09 1.74 0.09 0.00 0.02 0.00 76.54 0.52 79 K E E 41.72 15.66 18.28 34.34 125.97 -160.46 -119.61 140.35 3.67 96.33 0.00 3.26 0.17 0.01 0.00 0.00 0.00 96.47 0.09 80 K E E 59.69 13.56 22.40 35.91 126.02 -154.54 -118.22 139.31 0.79 99.21 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.27 0.01 81 A E E 6.23 21.91 18.51 40.91 125.25 -163.99 -119.73 139.91 0.38 99.62 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.63 0.00 82 Y E E 60.74 11.86 25.09 37.49 119.66 -156.15 -110.42 129.10 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 83 V E E 6.68 23.55 18.75 42.73 122.64 -168.62 -118.10 131.99 0.43 99.57 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.00 84 T E E 39.77 10.19 26.07 36.92 119.65 -160.34 -110.63 131.74 1.59 98.41 0.00 1.50 0.04 0.00 0.00 0.00 0.00 98.42 0.04 85 L E E 11.43 22.67 13.84 36.53 124.90 -165.92 -112.88 144.09 18.17 81.81 0.01 17.98 0.39 0.02 0.00 0.01 0.00 80.59 1.01 86 K C C 99.86 5.12 20.54 25.96 118.21 -121.08 -79.77 152.45 86.86 12.95 0.20 83.70 2.39 0.35 0.04 0.15 0.00 12.58 0.79 87 E C T 128.14 5.81 14.22 21.86 109.33 -87.82 -60.26 135.19 96.55 2.19 1.26 1.56 6.58 88.79 0.09 1.07 0.00 1.54 0.36 88 G C T 59.14 1.55 15.70 17.19 97.28 21.72 86.17 -3.96 97.86 1.12 1.01 3.06 5.77 88.98 0.05 1.09 0.00 0.92 0.12 89 Q C C 70.77 11.35 10.09 22.21 115.69 129.73 -78.65 140.55 90.40 8.36 1.24 82.19 6.77 1.39 0.20 1.14 0.00 6.73 1.58 90 N C C 119.73 2.54 16.37 20.06 112.62 -140.64 -94.65 124.78 69.70 29.89 0.41 68.92 0.91 0.65 0.18 0.19 0.00 14.94 14.22 91 L C C 52.04 18.58 11.62 28.69 102.15 -161.78 -87.24 6.79 99.75 0.24 0.00 99.75 0.06 0.01 0.00 0.00 0.00 0.16 0.01