# 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 109.27 6.39 12.73 20.46 115.03 -145.92 -90.97 135.59 99.84 0.14 0.03 99.75 0.10 0.05 0.01 0.00 0.00 0.07 0.02 1 A C C 69.37 5.49 10.61 17.64 112.73 -130.99 -83.94 138.49 89.73 7.48 2.79 83.62 1.80 4.67 0.95 1.31 0.00 5.49 2.17 2 F C C 121.49 6.79 8.96 17.14 115.51 -144.63 -95.99 132.13 79.14 17.29 3.57 54.45 16.18 7.67 1.23 2.59 0.01 10.70 7.18 3 K C C 133.85 3.72 10.99 16.53 115.37 -153.31 -95.50 131.68 82.42 14.10 3.48 59.78 17.20 5.14 1.17 2.44 0.00 9.59 4.68 4 D C C 96.46 4.89 9.90 16.52 108.14 -128.70 -86.90 109.97 93.24 4.83 1.92 76.67 11.84 4.58 0.58 1.38 0.00 3.06 1.90 5 T C T 95.70 3.86 9.67 15.31 100.39 167.73 -89.02 0.63 96.52 1.64 1.85 32.12 16.95 47.68 0.41 1.35 0.00 0.92 0.57 6 G C T 58.33 1.94 11.49 14.35 102.29 -102.60 77.42 0.98 97.27 1.43 1.30 22.91 27.61 46.80 0.19 1.19 0.00 0.89 0.41 7 K C C 140.56 2.44 10.25 14.32 117.59 91.60 -95.83 141.89 96.17 3.22 0.61 49.14 45.02 2.17 0.17 0.40 0.00 1.26 1.84 8 A C C 71.17 4.15 10.35 16.19 117.12 -107.50 -78.04 146.02 97.51 2.19 0.30 78.36 18.44 0.86 0.11 0.17 0.00 1.30 0.76 9 P C C 80.22 7.10 9.46 18.05 112.23 -103.97 -67.64 146.69 91.69 4.86 3.45 73.49 12.51 5.46 1.17 2.28 0.00 2.79 2.31 10 V C C 107.70 3.43 10.15 15.21 109.16 -141.20 -90.95 115.98 79.75 11.76 8.49 52.34 20.35 6.85 3.75 4.78 0.03 6.59 5.32 11 E C C 136.12 2.66 10.69 14.91 114.16 -73.19 -94.59 132.60 75.93 9.50 14.57 55.35 14.85 6.22 5.99 8.31 0.01 6.93 2.32 12 A C C 73.10 4.93 9.82 16.48 112.73 -124.87 -77.35 141.81 70.62 8.96 20.42 52.00 11.31 7.89 7.74 12.34 0.01 7.06 1.65 13 E C C 135.42 3.41 11.05 16.25 111.28 -140.53 -88.12 121.43 65.79 14.52 19.69 45.40 12.76 8.26 7.70 11.71 0.04 11.76 2.38 14 V C C 81.92 7.14 10.72 19.43 119.25 -155.23 -109.18 133.54 66.74 20.05 13.21 51.13 10.63 5.01 6.30 6.54 0.01 18.09 2.28 15 A C C 63.27 6.18 13.39 21.10 115.26 -140.46 -90.90 133.95 66.66 26.92 6.41 53.57 8.64 3.75 3.05 3.06 0.01 25.76 2.15 16 I C C 82.28 9.90 13.44 24.39 119.06 -160.89 -109.77 132.75 57.48 40.56 1.96 48.51 6.37 1.49 0.86 1.00 0.00 40.07 1.70 17 H E E 73.97 11.05 15.12 27.22 118.84 -163.25 -107.05 133.47 39.01 60.25 0.74 33.40 4.35 0.79 0.27 0.40 0.00 59.86 0.94 18 R E E 110.22 9.46 17.94 28.24 123.65 -159.54 -119.32 136.00 20.09 79.69 0.22 17.89 1.88 0.23 0.07 0.10 0.00 79.27 0.56 19 I E E 29.39 18.23 15.31 34.07 122.84 -166.15 -120.56 132.07 7.54 92.42 0.04 7.32 0.25 0.02 0.01 0.01 0.00 92.15 0.22 20 R E E 106.00 8.12 22.21 31.12 117.53 -157.52 -108.96 126.00 4.01 95.97 0.01 3.84 0.12 0.01 0.00 0.00 0.00 95.94 0.08 21 I E E 15.55 22.18 16.06 38.75 121.34 -167.75 -115.30 129.71 2.20 97.79 0.01 2.24 0.04 0.00 0.00 0.00 0.00 97.68 0.04 22 T E E 50.16 8.89 25.29 34.98 117.59 -158.85 -109.63 125.88 1.55 98.44 0.00 1.53 0.03 0.00 0.00 0.00 0.00 98.40 0.04 23 L E E 7.62 24.75 17.06 42.32 121.89 -168.92 -113.30 135.24 2.19 97.80 0.01 2.20 0.04 0.00 0.00 0.00 0.00 97.68 0.06 24 T E E 49.76 9.74 25.78 36.00 126.89 -169.61 -122.59 142.26 5.45 94.54 0.02 5.24 0.22 0.02 0.01 0.01 0.00 94.23 0.29 25 S E E 11.64 20.35 14.84 35.24 137.84 164.80 -148.76 160.33 26.57 73.38 0.06 25.74 0.94 0.08 0.02 0.03 0.00 71.42 1.77 26 R C S 147.69 4.96 20.45 26.26 94.52 -133.90 -81.81 -15.73 99.13 0.83 0.04 2.91 95.74 0.73 0.01 0.01 0.00 0.53 0.07 27 N C C 71.01 7.23 18.95 27.21 111.43 66.70 -107.51 108.16 98.71 1.08 0.22 60.64 37.60 0.65 0.12 0.07 0.00 0.39 0.54 28 V H H 59.94 14.40 14.12 28.82 93.68 -166.19 -63.17 -36.65 3.28 0.01 96.70 0.78 0.60 1.69 96.09 0.83 0.00 0.00 0.00 29 K H H 137.29 1.71 21.89 22.56 91.56 55.09 -63.28 -40.67 1.98 0.01 98.01 0.23 0.19 1.44 97.15 0.98 0.00 0.00 0.00 30 S H H 26.25 9.88 18.66 30.05 91.83 48.91 -65.07 -40.59 1.03 0.01 98.96 0.20 0.08 0.64 97.95 1.12 0.00 0.00 0.00 31 L H H 5.82 24.27 14.66 39.11 91.38 52.09 -63.50 -42.20 0.22 0.00 99.78 0.04 0.02 0.11 99.70 0.13 0.00 0.00 0.00 32 E H H 88.30 9.65 22.53 32.13 91.43 51.81 -63.39 -41.24 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 33 K H H 117.27 2.78 25.88 27.99 91.77 50.00 -64.51 -41.45 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 34 V H H 12.19 19.33 21.27 40.51 91.72 49.18 -64.04 -43.34 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 35 C H H 7.50 22.70 20.61 42.85 91.35 50.76 -63.73 -42.61 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 36 A H H 46.19 5.46 25.06 30.85 91.24 51.25 -63.19 -41.97 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 37 D H H 54.48 8.05 24.81 33.31 91.68 49.90 -65.19 -41.29 0.10 0.00 99.90 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 38 L H H 4.49 24.79 20.02 44.68 91.76 50.17 -63.83 -43.40 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 39 I H H 37.31 15.93 22.10 37.51 91.58 49.81 -63.50 -42.72 0.19 0.00 99.81 0.01 0.01 0.12 99.83 0.02 0.00 0.00 0.00 40 R H H 129.50 2.28 25.97 26.78 91.69 49.60 -64.08 -41.65 0.36 0.00 99.64 0.03 0.02 0.25 99.66 0.05 0.00 0.00 0.00 41 G H H 9.74 11.54 19.23 32.60 91.79 50.69 -64.06 -42.00 0.94 0.00 99.06 0.06 0.04 0.68 99.09 0.12 0.00 0.00 0.00 42 A H H 6.06 20.68 13.72 34.81 91.70 51.16 -63.46 -41.58 1.31 0.01 98.69 0.18 0.09 0.86 98.47 0.39 0.00 0.00 0.00 43 K H H 131.51 3.61 18.13 22.95 91.66 50.02 -64.13 -40.48 1.87 0.01 98.13 0.17 0.10 1.42 97.50 0.81 0.00 0.00 0.00 44 E H H 138.27 1.69 17.12 18.56 91.03 52.49 -65.90 -30.07 7.41 0.01 92.58 0.22 0.27 6.92 91.94 0.63 0.01 0.00 0.01 45 K C T 89.71 9.01 12.86 23.19 95.84 46.35 -94.88 7.54 82.76 0.04 17.20 0.40 1.65 79.93 17.28 0.70 0.00 0.01 0.04 46 S C T 97.90 0.96 18.88 18.36 93.40 -116.56 60.59 38.81 99.83 0.01 0.16 1.46 1.05 97.40 0.05 0.03 0.00 0.01 0.00 47 L C C 25.91 20.33 8.79 27.98 118.49 157.41 -95.25 139.48 97.92 2.05 0.03 97.13 0.89 0.06 0.01 0.01 0.00 1.77 0.12 48 K E E 136.92 2.40 23.62 25.44 110.26 -126.83 -85.50 124.85 47.90 52.05 0.05 46.94 0.91 0.09 0.01 0.03 0.00 51.24 0.78 49 V E E 31.23 22.48 10.18 31.23 119.86 -165.37 -108.78 130.93 9.02 90.94 0.04 9.15 0.27 0.03 0.02 0.01 0.00 87.18 3.33 50 K E E 124.45 4.11 20.33 24.99 109.83 -169.57 -105.43 87.84 18.92 81.04 0.04 16.13 2.23 0.16 0.01 0.03 0.00 80.77 0.68 51 G E E 29.08 5.27 20.70 26.69 133.77 -41.12 117.35 -175.81 35.88 64.11 0.01 17.43 18.03 0.31 0.00 0.01 0.00 63.98 0.24 52 P E E 60.05 14.00 15.93 29.74 115.83 -51.00 -70.02 144.35 42.60 57.38 0.02 38.42 2.58 0.08 0.00 0.02 0.00 58.30 0.60 53 V E E 35.92 15.26 16.54 32.47 122.06 -159.59 -116.80 132.39 14.56 85.41 0.03 13.79 0.63 0.03 0.01 0.01 0.00 79.34 6.19 54 R E E 136.80 6.45 21.20 28.86 115.56 -131.17 -86.48 131.39 30.11 69.87 0.02 29.67 0.74 0.03 0.01 0.01 0.00 65.19 4.35 55 M C C 33.65 20.80 12.11 31.97 119.29 -140.06 -90.40 142.41 87.13 12.86 0.01 85.96 1.80 0.03 0.00 0.01 0.00 11.72 0.47 56 P C C 56.21 7.75 18.20 26.99 115.49 -103.59 -66.14 152.00 92.00 7.94 0.06 88.44 3.47 0.21 0.01 0.05 0.00 7.24 0.59 57 T C C 83.09 8.80 15.00 24.70 100.84 -129.89 -83.31 1.58 77.10 22.80 0.10 53.85 22.30 0.65 0.01 0.11 0.00 22.16 0.93 58 K E E 104.36 6.67 16.25 24.17 123.76 58.41 -113.05 142.55 19.78 80.15 0.07 15.73 3.64 0.25 0.01 0.06 0.00 79.83 0.48 59 T E E 67.68 9.93 14.49 25.44 121.89 -153.61 -114.55 134.28 3.02 96.96 0.02 2.82 0.16 0.02 0.00 0.01 0.00 96.87 0.11 60 L E E 55.87 11.81 14.01 26.97 119.86 -160.13 -109.22 135.10 1.06 98.94 0.00 0.97 0.05 0.00 0.00 0.00 0.00 98.95 0.03 61 R E E 131.97 5.87 17.23 24.55 119.01 -155.83 -108.53 130.99 0.85 99.15 0.00 0.74 0.04 0.00 0.00 0.00 0.00 99.20 0.01 62 I E E 49.61 13.67 13.10 27.66 121.35 -164.61 -115.04 133.26 1.62 98.37 0.01 1.51 0.05 0.00 0.00 0.00 0.00 98.41 0.03 63 T E E 58.20 7.10 17.40 25.87 124.60 -164.62 -115.33 144.52 3.57 96.42 0.01 3.30 0.14 0.02 0.00 0.01 0.00 96.47 0.06 64 T E E 51.30 12.47 13.66 26.89 125.17 -161.63 -117.81 143.24 4.57 95.41 0.02 4.08 0.35 0.04 0.01 0.01 0.00 95.30 0.22 65 R E E 117.10 7.12 15.23 23.77 120.13 -141.49 -98.15 139.67 10.24 89.72 0.03 9.20 0.95 0.09 0.01 0.02 0.00 89.00 0.74 66 K E E 121.48 5.49 14.41 21.44 117.09 -128.79 -91.67 137.77 49.19 50.73 0.08 43.92 4.32 0.25 0.03 0.07 0.00 49.41 2.00 67 T C C 44.30 10.15 9.61 21.17 116.98 -113.84 -81.51 146.67 92.55 7.28 0.18 87.48 4.51 0.58 0.05 0.14 0.00 6.20 1.05 68 P C T 105.32 2.51 12.38 16.13 92.72 -125.88 -65.57 -21.49 97.78 0.64 1.57 5.65 29.65 62.33 0.09 1.65 0.00 0.43 0.18 69 C C T 89.90 3.02 10.57 14.72 97.75 53.69 -91.22 -0.56 96.89 0.96 2.15 3.51 29.22 64.19 0.13 2.07 0.00 0.56 0.33 70 G C S 44.17 3.80 10.43 15.89 108.03 -95.09 89.49 11.08 89.64 6.33 4.03 29.55 47.99 11.77 0.52 3.82 0.00 3.25 3.09 71 E C T 139.81 2.25 9.90 13.77 109.45 128.66 -75.99 126.37 89.82 3.32 6.86 8.43 16.54 64.03 0.61 7.01 0.00 2.30 1.08 72 G C T 62.60 1.06 12.28 13.18 97.76 11.58 81.76 0.16 90.96 2.38 6.65 9.01 17.19 63.90 0.57 6.89 0.00 1.74 0.69 73 S C C 53.00 6.13 8.42 16.46 114.93 126.09 -85.82 143.69 89.53 5.26 5.21 55.83 24.63 8.91 0.68 5.10 0.00 3.51 1.33 74 K C C 156.40 2.21 13.18 16.51 102.03 -135.31 -88.43 14.07 79.83 18.59 1.58 54.34 20.82 4.84 0.26 1.46 0.00 16.75 1.51 75 T E E 66.34 6.34 11.99 20.18 121.39 122.30 -106.26 145.12 40.14 59.59 0.27 34.46 4.49 0.63 0.06 0.23 0.00 59.01 1.12 76 W E E 115.52 10.23 12.02 23.33 123.76 -151.63 -113.47 141.93 8.45 91.53 0.03 7.87 0.41 0.05 0.01 0.01 0.00 91.11 0.54 77 D E E 65.51 7.92 15.50 24.83 121.57 -151.60 -107.57 142.99 5.65 94.34 0.01 5.16 0.20 0.01 0.00 0.00 0.00 94.53 0.09 78 R E E 119.80 8.66 15.30 25.14 120.65 -136.78 -106.76 135.29 5.16 94.83 0.00 4.83 0.14 0.01 0.00 0.00 0.00 94.97 0.06 79 F E E 49.64 13.72 13.57 28.33 125.12 -166.32 -120.01 145.79 3.96 96.03 0.00 3.77 0.08 0.00 0.00 0.00 0.00 96.07 0.07 80 Q E E 88.29 7.49 18.20 26.79 120.89 -145.63 -107.64 137.26 1.88 98.12 0.00 1.73 0.04 0.00 0.00 0.00 0.00 98.18 0.04 81 M E E 46.07 15.70 14.46 30.46 128.55 -171.91 -126.99 145.04 2.05 97.94 0.00 1.91 0.05 0.00 0.00 0.00 0.00 98.02 0.02 82 R E E 99.88 8.66 19.23 28.80 118.48 -146.86 -106.67 130.13 1.30 98.69 0.00 1.19 0.03 0.00 0.00 0.00 0.00 98.75 0.02 83 I E E 39.86 15.22 16.58 32.49 119.65 -163.15 -112.00 128.76 2.06 97.94 0.00 1.89 0.08 0.00 0.00 0.00 0.00 97.98 0.05 84 H E E 51.48 12.20 18.75 32.03 120.39 -160.49 -108.69 133.59 4.91 95.09 0.01 4.35 0.34 0.02 0.00 0.00 0.00 95.19 0.09 85 K E E 73.97 13.50 19.37 32.77 127.57 -164.48 -124.12 141.87 7.80 92.19 0.01 7.04 0.48 0.02 0.00 0.00 0.00 92.34 0.11 86 R E E 51.25 16.05 18.95 34.98 123.83 -156.00 -115.57 135.73 4.30 95.70 0.00 4.06 0.14 0.01 0.00 0.00 0.00 95.71 0.08 87 L E E 42.44 12.73 22.23 35.63 119.13 -157.88 -111.57 129.33 1.24 98.76 0.00 1.13 0.04 0.00 0.00 0.00 0.00 98.80 0.03 88 I E E 10.41 22.43 18.44 41.09 119.77 -164.09 -114.75 127.19 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.01 89 D E E 51.99 9.58 25.68 35.71 115.20 -155.88 -104.10 122.74 0.92 99.08 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.12 0.02 90 L E E 12.24 22.85 14.77 37.71 117.79 -163.35 -104.76 128.63 10.83 89.08 0.10 10.34 0.42 0.08 0.03 0.04 0.00 88.61 0.48 91 H C E 96.22 7.16 21.22 28.75 105.79 -164.59 -93.03 7.73 57.70 42.14 0.16 29.18 28.08 1.72 0.03 0.15 0.00 40.01 0.83 92 S C S 45.45 8.62 18.29 27.87 121.27 25.94 -134.11 127.47 91.37 8.41 0.22 23.01 66.07 2.14 0.05 0.13 0.00 8.15 0.46 93 P C C 52.15 12.85 14.86 28.11 104.61 -128.82 -69.41 96.03 88.79 1.50 9.71 73.50 8.63 6.10 8.43 1.91 0.00 0.97 0.47 94 S H H 57.72 7.69 16.11 24.69 97.74 129.68 -69.68 -36.86 46.77 0.54 52.69 27.22 9.95 9.69 49.63 3.02 0.01 0.21 0.28 95 E H H 115.98 3.35 19.17 22.53 93.69 52.58 -66.82 -35.93 20.19 0.35 79.46 8.88 4.25 7.87 75.80 2.85 0.04 0.16 0.15 96 I H H 29.06 16.12 16.01 32.21 93.53 51.59 -66.14 -42.22 9.02 0.36 90.63 4.43 1.48 3.65 87.35 2.73 0.02 0.25 0.08 97 V H H 25.56 18.23 15.44 33.27 92.29 51.65 -63.50 -41.89 3.18 0.16 96.65 1.42 0.49 1.40 94.47 2.05 0.01 0.14 0.02 98 K H H 121.75 3.26 20.75 24.24 91.82 51.81 -64.05 -40.07 2.69 0.11 97.20 0.85 0.35 1.52 94.26 2.89 0.01 0.11 0.01 99 Q H H 84.09 6.81 19.71 27.19 92.24 50.76 -66.23 -39.61 3.72 0.14 96.14 0.89 0.43 2.36 92.17 3.99 0.02 0.13 0.02 100 I H H 14.22 22.54 14.73 36.65 93.09 49.80 -67.37 -37.29 5.75 0.26 93.99 1.19 0.69 3.77 89.30 4.75 0.04 0.22 0.04 101 T H H 55.36 13.47 16.95 30.23 92.62 57.23 -71.83 -21.48 23.22 0.71 76.07 2.94 2.33 17.47 72.41 4.02 0.15 0.46 0.22 102 S C T 80.83 2.22 20.33 22.13 96.07 57.01 -89.12 -4.35 58.52 1.97 39.51 8.98 5.35 42.10 36.05 5.47 0.13 1.26 0.66 103 I C C 46.85 16.94 10.72 27.34 117.35 107.50 -81.81 137.76 87.38 10.98 1.64 59.28 26.54 2.28 1.24 0.57 0.01 7.95 2.12 104 S C C 79.06 3.13 21.27 25.01 114.26 -141.99 -100.18 126.79 77.65 21.93 0.42 75.37 1.89 0.65 0.21 0.17 0.00 18.94 2.77 105 I C C 38.46 21.25 11.19 31.13 122.73 -168.09 -115.14 131.93 54.61 45.27 0.12 53.87 1.95 0.07 0.10 0.04 0.00 18.52 25.46 106 E C C 97.22 5.56 20.00 26.05 118.97 -124.99 -76.99 151.06 99.09 0.90 0.01 98.73 0.57 0.04 0.00 0.00 0.00 0.53 0.12 107 P C T 86.45 6.69 16.53 24.52 110.82 -82.94 -59.93 138.86 99.32 0.40 0.28 0.55 2.80 96.14 0.02 0.18 0.00 0.25 0.06 108 G C T 39.16 5.92 18.82 25.96 95.98 23.41 87.72 -5.49 99.12 0.66 0.22 0.87 2.89 95.50 0.01 0.16 0.00 0.52 0.04 109 V C C 23.78 18.79 13.07 32.15 119.55 117.82 -98.91 135.65 59.45 40.49 0.06 53.99 4.31 0.19 0.01 0.06 0.00 40.61 0.83 110 E E E 98.52 6.30 23.30 30.22 118.69 -150.68 -106.09 132.41 13.23 86.75 0.03 12.94 0.28 0.03 0.01 0.01 0.00 86.45 0.28 111 V E E 20.77 22.97 13.63 36.18 126.05 -170.70 -124.61 137.84 6.40 93.59 0.00 6.27 0.10 0.00 0.00 0.00 0.00 93.56 0.05 112 E E E 92.76 5.81 25.23 31.44 121.36 -164.02 -115.43 132.24 2.80 97.20 0.00 2.78 0.05 0.00 0.00 0.00 0.00 97.14 0.03 113 V E E 21.86 23.07 13.68 36.31 123.72 -167.32 -119.23 133.33 2.87 97.13 0.00 2.98 0.03 0.00 0.00 0.00 0.00 96.96 0.03 114 T E E 58.50 6.42 24.15 30.99 124.63 -170.86 -119.74 140.01 2.64 97.35 0.01 2.68 0.05 0.00 0.00 0.00 0.00 97.20 0.06 115 I E E 52.31 17.00 13.90 30.76 119.47 -149.81 -105.05 131.41 7.70 92.26 0.04 7.41 0.25 0.03 0.01 0.01 0.00 91.90 0.37 116 A E E 46.11 8.57 14.61 24.68 122.31 -159.12 -104.88 148.40 40.42 59.27 0.31 32.14 6.40 1.11 0.08 0.23 0.00 59.25 0.78 117 D C C 107.61 3.50 13.98 19.03 111.93 -112.98 -82.21 129.41 67.85 31.77 0.38 62.28 2.62 1.34 0.09 0.28 0.00 32.16 1.24 118 A C C 64.74 8.49 12.05 21.48 108.47 -130.38 -76.80 119.18 99.76 0.22 0.01 99.66 0.12 0.05 0.00 0.00 0.00 0.16 0.01