# 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 109.58 6.90 15.03 23.04 116.29 -164.82 -100.49 131.18 99.63 0.34 0.03 99.52 0.18 0.06 0.01 0.00 0.00 0.17 0.06 1 A C C 69.90 7.20 12.05 20.59 112.32 -122.87 -79.23 137.78 94.05 3.30 2.66 81.48 2.17 10.71 0.85 1.41 0.00 2.40 0.98 2 G C C 44.26 6.74 13.03 20.88 108.28 13.93 63.95 14.30 93.87 3.21 2.92 54.61 18.09 20.94 0.42 2.94 0.00 2.09 0.91 3 R C C 154.96 4.58 14.67 20.86 109.67 -27.28 -85.60 111.76 89.97 5.38 4.64 37.28 23.05 29.96 0.51 4.52 0.00 3.44 1.25 4 G C C 35.37 9.70 16.06 26.15 116.35 3.01 100.92 4.56 86.61 10.31 3.08 37.03 23.49 26.47 0.26 3.27 0.00 8.50 0.98 5 K C C 81.91 12.82 19.43 31.96 118.30 -122.00 -97.52 140.43 68.29 30.12 1.59 53.77 11.12 2.67 0.22 1.51 0.00 29.63 1.08 6 L E E 32.76 17.60 22.14 39.27 118.29 -133.20 -98.90 132.96 21.88 78.00 0.12 19.65 1.91 0.16 0.03 0.08 0.00 77.47 0.69 7 I E E 5.30 24.37 24.04 48.03 121.53 -163.15 -114.20 131.35 3.08 96.91 0.02 2.78 0.19 0.02 0.00 0.01 0.00 96.92 0.08 8 A E E 3.22 23.53 28.18 50.89 123.15 -162.34 -112.38 134.95 0.39 99.60 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.61 0.01 9 V E E 1.31 26.63 28.02 54.15 122.30 -164.79 -116.70 131.23 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.01 10 I E E 6.05 24.18 27.86 50.90 120.53 -167.36 -116.21 128.42 1.57 98.43 0.01 1.32 0.12 0.01 0.00 0.00 0.00 98.49 0.05 11 G E E 6.70 17.96 24.40 42.66 144.89 87.83 165.70 -175.05 39.14 60.84 0.03 16.88 21.98 0.55 0.00 0.03 0.00 60.27 0.30 12 D C C 56.41 8.65 24.59 33.63 117.79 -44.81 -75.83 151.45 93.45 6.42 0.12 83.62 9.70 0.25 0.06 0.05 0.00 5.78 0.54 13 E H H 98.58 12.65 16.51 29.06 91.98 -107.93 -58.91 -38.42 6.40 0.02 93.58 0.39 0.92 5.38 91.73 1.54 0.03 0.01 0.01 14 D H H 105.05 2.37 22.58 24.56 91.97 51.92 -66.15 -37.07 5.75 0.02 94.23 0.26 0.43 5.48 91.85 1.94 0.02 0.01 0.01 15 T H H 35.24 14.90 19.42 33.97 95.02 42.56 -73.35 -38.26 4.27 0.05 95.68 0.39 0.38 3.65 93.08 2.42 0.02 0.03 0.01 16 V H H 3.62 25.80 15.67 41.60 91.91 52.10 -64.63 -42.96 1.97 0.07 97.96 0.48 0.29 1.23 97.39 0.54 0.01 0.04 0.01 17 T H H 61.08 8.53 23.81 32.57 91.75 51.45 -63.33 -42.28 2.28 0.03 97.69 0.29 0.20 1.81 96.99 0.67 0.01 0.02 0.01 18 G H H 28.26 6.58 23.72 30.71 91.70 50.82 -63.69 -42.29 3.52 0.02 96.46 0.20 0.23 3.12 95.17 1.24 0.02 0.01 0.01 19 F H H 10.83 23.43 18.49 41.45 92.49 49.29 -65.47 -42.24 2.02 0.03 97.95 0.20 0.18 1.61 95.71 2.25 0.03 0.02 0.01 20 L H H 42.00 19.03 19.19 37.03 91.59 51.26 -63.68 -40.81 2.33 0.04 97.63 0.28 0.20 1.82 94.39 3.26 0.02 0.03 0.01 21 L H H 110.91 4.55 22.18 27.27 90.44 54.36 -66.66 -28.07 10.98 0.07 88.94 0.46 0.54 10.40 84.92 3.56 0.06 0.03 0.03 22 G C T 32.09 10.05 18.88 29.64 92.73 54.18 -85.19 -6.62 69.52 0.09 30.38 0.56 2.05 66.38 28.62 2.26 0.02 0.03 0.09 23 G C T 30.06 10.91 21.82 32.75 98.73 -99.01 92.67 8.21 99.07 0.12 0.81 3.47 4.76 91.04 0.40 0.22 0.00 0.07 0.05 24 I C C 17.00 22.52 17.63 39.63 107.73 129.97 -87.82 100.61 93.80 4.78 1.42 69.77 18.63 5.11 0.49 0.97 0.00 2.56 2.48 25 G C C 18.18 16.14 20.92 35.96 120.46 36.23 125.22 -161.39 81.47 16.16 2.37 45.55 28.98 7.52 0.54 2.10 0.00 10.94 4.37 26 E C C 82.31 10.09 22.30 32.46 120.94 -65.07 -102.54 139.36 58.95 38.39 2.67 40.86 13.40 3.97 0.97 2.05 0.03 27.45 11.28 27 L C C 49.67 16.03 13.72 29.63 118.29 -149.54 -103.83 132.04 50.62 47.00 2.38 35.13 10.65 2.70 1.40 1.30 0.05 27.08 21.70 28 N C C 58.32 7.46 13.61 22.57 125.19 -163.36 -100.40 174.22 81.29 16.98 1.73 65.05 11.05 4.65 0.54 1.34 0.00 12.24 5.12 29 K C T 164.88 1.91 11.84 15.17 92.48 -89.41 -65.60 -23.56 93.16 1.95 4.89 7.51 19.51 65.98 0.54 4.46 0.00 1.27 0.73 30 N C T 124.14 1.14 12.90 13.57 95.38 49.82 -89.76 1.56 95.22 0.64 4.13 5.94 18.83 70.09 0.34 4.13 0.00 0.39 0.28 31 R C S 137.56 7.43 11.63 20.41 97.02 -111.83 67.53 26.96 86.74 9.40 3.86 23.00 47.63 16.01 0.52 3.56 0.00 5.28 3.99 32 H C C 110.53 4.42 17.35 23.07 117.75 144.55 -94.79 136.23 85.48 14.35 0.17 64.50 20.31 0.99 0.05 0.16 0.00 10.73 3.26 33 P C C 46.56 15.20 15.73 30.80 114.07 -107.54 -67.49 146.17 67.77 31.51 0.72 59.87 5.01 1.37 0.28 0.52 0.00 20.77 12.17 34 N C S 31.93 17.19 19.40 36.31 99.75 -157.70 -91.63 -6.23 87.95 11.51 0.53 35.96 48.21 4.11 0.06 0.56 0.00 10.16 0.94 35 F E E 26.69 20.46 19.52 39.61 132.72 43.05 -134.29 144.67 28.67 70.63 0.70 19.27 9.81 1.66 0.20 0.56 0.01 65.54 2.94 36 L E E 25.94 17.79 23.76 41.09 122.12 -163.19 -116.84 131.86 8.70 91.10 0.21 7.64 0.99 0.19 0.09 0.13 0.00 89.14 1.82 37 V E E 42.05 15.52 24.39 39.39 116.03 -148.21 -99.79 127.26 11.82 88.08 0.10 10.87 0.90 0.11 0.05 0.05 0.00 85.86 2.16 38 V E E 11.93 21.92 14.97 36.83 125.30 -167.76 -113.90 143.00 47.86 52.00 0.14 44.85 2.40 0.20 0.06 0.09 0.00 49.79 2.61 39 E C C 93.44 5.53 21.87 27.36 120.96 -127.73 -87.36 157.75 83.78 16.03 0.19 78.47 4.39 0.51 0.06 0.13 0.00 14.49 1.94 40 K C T 126.96 8.68 14.03 23.77 92.64 -101.82 -60.97 -29.01 98.22 1.04 0.75 2.51 12.15 83.67 0.08 0.63 0.00 0.74 0.22 41 D C T 126.48 0.77 17.99 16.67 96.53 47.39 -89.43 8.27 98.85 0.55 0.61 4.40 11.48 82.94 0.06 0.58 0.00 0.44 0.10 42 T C C 25.25 16.34 9.14 25.52 116.86 123.68 -74.21 142.54 97.98 1.74 0.28 55.93 41.73 0.51 0.10 0.14 0.00 0.64 0.95 43 T C C 70.62 2.51 22.39 23.30 120.56 -124.92 -80.03 159.21 95.49 4.21 0.30 93.92 1.34 0.12 0.22 0.04 0.00 0.85 3.51 44 I H H 58.32 16.98 12.44 29.01 91.15 -111.52 -57.53 -38.49 2.12 0.01 97.87 0.54 0.32 1.15 97.51 0.47 0.00 0.00 0.00 45 N H H 109.78 1.94 20.17 21.72 91.37 54.20 -63.49 -39.21 1.21 0.00 98.79 0.20 0.10 0.81 98.38 0.52 0.00 0.00 0.00 46 E H H 88.95 5.06 20.48 25.96 91.82 49.06 -66.18 -39.68 0.37 0.00 99.63 0.07 0.03 0.21 99.35 0.34 0.00 0.00 0.00 47 I H H 3.78 24.71 14.41 39.54 91.45 50.41 -63.17 -43.78 0.07 0.00 99.93 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 48 E H H 56.35 13.57 20.37 33.85 91.56 50.87 -62.25 -42.46 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 49 D H H 82.74 1.98 25.22 25.11 91.53 49.72 -64.20 -41.58 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 50 T H H 19.32 14.43 20.44 35.52 92.01 50.00 -64.45 -42.99 0.06 0.00 99.94 0.00 0.00 0.05 99.95 0.01 0.00 0.00 0.00 51 F H H 2.88 26.73 16.80 44.06 91.20 50.36 -63.49 -42.41 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 52 R H H 113.62 7.89 22.38 30.73 91.30 51.77 -62.43 -41.61 0.07 0.00 99.93 0.00 0.00 0.06 99.91 0.03 0.00 0.00 0.00 53 Q H H 95.32 3.12 23.90 26.27 91.83 50.05 -64.36 -41.11 0.23 0.00 99.77 0.01 0.01 0.22 99.61 0.15 0.00 0.00 0.00 54 F H H 10.75 21.43 16.53 38.08 92.35 48.98 -66.24 -39.60 0.85 0.00 99.15 0.02 0.02 0.81 98.66 0.49 0.00 0.00 0.00 55 L H H 32.34 19.21 15.99 34.63 91.58 56.85 -68.29 -25.28 16.91 0.01 83.08 0.27 0.38 16.73 81.75 0.84 0.01 0.00 0.01 56 N C T 121.08 1.65 20.60 21.53 92.81 56.05 -85.95 -6.04 66.45 0.04 33.52 1.37 1.96 61.50 33.87 1.25 0.00 0.01 0.03 57 R C C 79.85 13.03 11.04 24.74 113.48 99.30 -80.88 131.19 97.98 0.53 1.49 66.06 29.59 2.17 0.93 0.46 0.00 0.13 0.65 58 E C T 151.73 2.09 18.31 21.12 95.73 -148.42 -73.53 -21.31 98.98 0.24 0.77 2.32 22.35 74.38 0.06 0.66 0.00 0.15 0.08 59 D C T 71.64 9.85 18.44 28.67 97.11 55.10 -91.50 5.17 99.22 0.52 0.26 7.75 16.76 74.66 0.01 0.34 0.00 0.42 0.07 60 I E E 10.25 23.28 15.11 38.66 117.08 100.24 -96.83 127.61 46.82 53.16 0.02 45.85 0.92 0.05 0.00 0.02 0.00 52.47 0.68 61 G E E 12.55 14.95 26.15 41.68 101.30 175.70 -95.20 -36.56 45.35 54.65 0.00 30.75 13.48 0.09 0.00 0.00 0.00 55.51 0.16 62 I E E 4.66 23.70 26.38 49.67 130.95 13.51 -139.37 136.31 0.56 99.44 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.41 0.02 63 I E E 1.53 26.52 27.94 54.13 118.28 -160.35 -113.74 124.98 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 64 L E E 3.79 24.78 29.04 53.21 115.22 -158.11 -105.05 123.17 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 65 I E E 2.60 25.72 24.57 50.03 130.81 -173.99 -129.17 148.15 0.72 99.28 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.30 0.01 66 N E E 20.07 16.90 24.01 40.79 120.46 -114.67 -78.20 159.62 20.50 79.49 0.01 20.61 0.18 0.01 0.00 0.00 0.00 79.00 0.20 67 Q H H 62.85 13.90 20.12 34.19 91.49 -107.65 -58.45 -36.66 6.10 0.02 93.88 0.14 0.45 5.68 92.26 1.43 0.02 0.01 0.01 68 Y H H 115.25 5.08 24.15 29.52 91.88 54.03 -64.89 -39.60 2.77 0.00 97.23 0.10 0.13 2.61 96.13 1.03 0.00 0.00 0.00 69 I H H 14.21 19.43 19.55 38.75 92.64 48.28 -66.97 -40.88 0.65 0.00 99.35 0.05 0.03 0.51 98.51 0.91 0.00 0.00 0.00 70 A H H 5.88 23.00 15.64 38.64 91.11 54.93 -61.93 -42.00 0.20 0.00 99.80 0.01 0.01 0.14 99.41 0.43 0.00 0.00 0.00 71 E H H 114.17 3.85 22.52 26.58 91.50 51.76 -64.92 -37.41 1.02 0.00 98.98 0.02 0.02 1.05 98.21 0.70 0.00 0.00 0.00 72 M H H 85.19 7.66 20.11 28.28 92.17 51.03 -69.23 -32.49 4.45 0.00 95.55 0.03 0.08 4.93 94.35 0.61 0.00 0.00 0.00 73 V H H 8.65 22.32 13.78 36.53 99.14 38.31 -103.52 1.45 25.09 0.04 74.87 0.99 1.49 22.16 74.28 1.01 0.03 0.01 0.04 74 R H H 100.78 13.38 16.19 29.69 91.89 103.68 -57.17 -43.11 3.04 0.01 96.96 0.83 0.22 1.65 93.32 3.98 0.00 0.00 0.00 75 H H H 130.33 1.50 21.35 21.12 91.91 51.43 -64.83 -37.75 1.25 0.00 98.74 0.12 0.07 0.93 93.83 5.05 0.00 0.00 0.00 76 A H H 26.36 11.82 17.09 30.02 92.26 50.52 -65.82 -40.87 0.64 0.00 99.35 0.07 0.04 0.45 94.97 4.47 0.00 0.00 0.00 77 L H H 16.07 21.62 12.70 33.70 91.82 51.29 -65.08 -38.36 1.41 0.00 98.59 0.15 0.10 1.01 95.14 3.60 0.00 0.00 0.00 78 D H H 100.69 3.69 18.00 22.71 91.33 55.01 -69.24 -22.87 19.40 0.03 80.57 0.68 0.78 18.00 77.86 2.64 0.02 0.01 0.02 79 A C T 74.70 2.64 16.20 19.23 93.16 60.88 -81.45 -10.13 55.77 0.09 44.14 3.36 2.84 47.97 43.13 2.58 0.01 0.03 0.07 80 H C C 52.87 17.33 7.93 23.85 113.41 97.99 -81.84 130.10 90.71 0.94 8.35 71.90 10.44 7.64 7.08 1.75 0.00 0.33 0.86 81 Q C C 148.09 1.44 16.32 17.61 100.64 -171.80 -96.95 -2.06 96.06 1.01 2.93 78.39 11.06 6.68 1.63 1.09 0.00 0.44 0.71 82 R C C 125.58 6.00 13.10 20.92 120.02 93.80 -92.29 144.30 98.02 1.00 0.98 45.44 43.62 9.07 0.26 0.65 0.00 0.45 0.51 83 S C C 79.58 4.36 16.33 21.95 106.59 -103.33 -74.56 120.79 98.52 0.99 0.50 58.34 32.40 7.79 0.08 0.46 0.00 0.52 0.40 84 I C C 51.66 15.84 13.24 29.12 119.23 73.95 -107.84 130.10 95.83 4.07 0.09 58.04 38.14 0.46 0.02 0.07 0.00 2.12 1.16 85 P C S 47.06 12.57 19.84 32.65 110.60 -114.79 -68.97 150.67 97.51 2.43 0.06 40.93 55.33 1.34 0.00 0.07 0.00 2.20 0.14 86 A E E 27.28 16.08 21.11 36.70 124.28 -79.21 -112.67 139.79 15.12 84.72 0.16 12.16 2.65 0.39 0.02 0.13 0.00 84.26 0.39 87 V E E 28.29 19.89 20.34 39.53 120.77 -160.17 -115.60 126.62 1.17 98.83 0.01 1.08 0.07 0.01 0.00 0.00 0.00 98.72 0.12 88 L E E 26.61 17.90 23.08 40.55 120.41 -166.37 -112.74 126.74 0.73 99.27 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.27 0.03 89 E E E 62.64 14.75 24.34 38.50 114.90 -145.98 -94.29 127.81 3.16 96.83 0.00 3.03 0.12 0.01 0.00 0.00 0.00 96.60 0.25 90 I C C 18.42 21.12 17.99 38.89 116.73 -164.22 -112.12 121.66 69.01 30.96 0.03 65.95 1.67 0.08 0.01 0.02 0.00 31.72 0.55 91 P C C 41.84 10.93 18.85 30.83 116.14 -120.01 -68.88 151.81 93.27 6.51 0.22 81.14 10.72 1.18 0.04 0.21 0.00 5.92 0.78 92 S C C 34.16 11.40 14.00 26.47 122.32 -133.28 -100.70 162.17 92.17 7.27 0.57 79.87 9.58 1.55 0.20 0.36 0.00 2.38 6.05 93 K C T 154.48 2.93 12.94 17.66 92.84 -105.79 -64.93 -27.33 97.99 0.68 1.33 4.74 45.24 48.23 0.14 1.01 0.00 0.33 0.32 94 E C T 155.35 0.90 14.14 14.11 95.93 51.77 -82.27 -18.62 98.10 0.64 1.26 5.02 44.82 48.47 0.13 0.98 0.00 0.33 0.26 95 H C S 86.39 7.95 10.17 19.67 115.66 35.77 -125.63 102.77 92.77 5.93 1.31 34.11 55.97 2.69 0.41 0.78 0.00 2.47 3.57 96 P C C 80.89 5.29 13.79 20.80 110.78 -152.26 -69.63 142.34 92.14 2.50 5.36 53.61 13.64 24.98 1.31 3.96 0.00 1.42 1.07 97 Y C C 106.41 12.74 11.14 23.72 114.33 -110.98 -89.52 131.23 89.96 2.37 7.67 46.08 19.52 24.79 2.47 4.70 0.00 1.02 1.41 98 D C C 65.67 6.99 14.81 23.28 117.08 -162.64 -107.28 132.41 88.33 1.06 10.61 71.15 12.09 5.13 7.08 3.25 0.00 0.40 0.89 99 A C H 70.11 6.12 13.86 21.60 93.22 -132.00 -62.68 -28.37 51.62 0.49 47.89 16.76 8.27 27.09 37.82 9.50 0.03 0.22 0.32 100 A H H 65.12 3.92 16.18 20.95 92.91 58.89 -69.17 -26.33 45.12 0.41 54.47 15.51 5.93 24.08 45.75 8.27 0.02 0.19 0.25 101 K H H 74.59 11.80 14.89 27.10 94.26 58.31 -67.75 -36.63 25.54 0.40 74.06 14.23 5.25 7.03 66.87 6.26 0.01 0.19 0.16 102 D H H 52.96 11.42 15.76 27.69 94.58 56.16 -67.01 -37.72 21.10 0.37 78.53 13.81 3.35 4.64 74.82 3.07 0.00 0.18 0.12 103 S H H 51.08 4.59 18.97 24.17 92.93 54.46 -65.33 -39.06 13.44 0.68 85.88 8.56 2.42 3.67 82.05 2.70 0.01 0.41 0.18 104 I H H 63.30 7.87 18.34 27.19 92.44 51.06 -65.16 -42.47 7.58 1.03 91.39 4.56 1.27 2.28 88.99 1.92 0.01 0.83 0.14 105 L H H 42.18 12.85 15.86 29.48 92.36 51.20 -64.71 -41.50 6.51 1.61 91.88 3.91 1.00 2.02 89.38 2.04 0.02 1.44 0.17 106 R H H 112.63 6.23 17.44 24.61 92.26 51.44 -64.54 -41.12 8.06 2.33 89.61 4.56 1.28 2.63 87.05 2.09 0.03 2.09 0.26 107 R H H 135.50 3.50 17.12 21.31 92.39 50.22 -65.59 -39.67 9.22 1.94 88.84 4.24 1.33 3.83 86.26 2.30 0.05 1.74 0.25 108 A H H 45.87 9.59 13.94 24.55 92.47 52.00 -67.65 -33.37 15.21 1.41 83.39 4.31 2.07 8.81 80.71 2.61 0.12 1.06 0.32 109 K C T 108.73 6.92 14.39 22.36 95.04 51.96 -81.76 -8.31 55.55 0.96 43.49 3.53 3.86 45.63 42.84 3.08 0.10 0.56 0.39 110 G C T 51.24 3.86 14.52 19.60 97.52 -106.95 77.22 11.05 79.37 0.50 20.13 8.11 6.50 62.77 19.98 2.13 0.01 0.25 0.25 111 M C C 104.84 4.92 13.62 19.89 98.53 119.70 -82.59 -20.94 81.90 2.87 15.23 40.66 21.88 19.32 11.89 3.50 0.02 1.28 1.45 112 F C C 87.32 9.73 11.31 22.15 123.43 40.97 -121.29 138.31 78.66 7.72 13.62 37.18 27.12 14.83 9.56 3.99 0.08 3.52 3.71 113 T C C 66.20 4.99 14.23 20.60 122.41 -155.35 -106.61 152.19 85.63 4.38 9.99 65.76 13.16 6.11 7.31 3.21 0.00 2.34 2.11 114 A C G 64.98 7.09 10.52 18.99 96.31 -115.43 -65.66 -29.08 50.88 1.88 47.24 24.80 11.49 15.15 17.64 29.10 0.02 0.99 0.80 115 E H G 141.55 1.73 11.85 14.31 97.08 65.81 -73.87 -23.78 42.66 1.18 56.16 13.58 8.97 20.17 19.06 37.04 0.03 0.65 0.50 116 D H G 93.69 3.85 10.05 15.50 99.20 62.42 -83.43 -5.24 41.40 1.73 56.87 17.67 7.87 16.56 18.07 38.18 0.02 0.99 0.63 117 L C C 98.07 6.40 7.93 15.67 102.07 78.74 -84.79 12.08 57.49 2.26 40.25 42.62 3.73 12.86 17.60 20.78 0.00 1.29 1.12 118 R C C 155.27 3.59 11.56 16.92 105.69 118.69 -82.89 74.42 99.75 0.13 0.12 99.53 0.17 0.13 0.06 0.01 0.00 0.06 0.03