# 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 116.87 5.04 15.27 21.24 112.69 -148.37 -89.64 127.93 99.70 0.17 0.12 99.65 0.10 0.07 0.07 0.01 0.00 0.06 0.04 1 L C C 81.20 8.08 10.39 19.61 102.12 -123.95 -74.12 -22.48 55.62 1.02 43.36 49.17 1.72 6.53 35.35 6.21 0.00 0.56 0.45 2 R H H 142.52 4.06 11.34 16.89 98.10 62.45 -70.87 -33.17 45.50 1.77 52.73 28.67 7.83 10.16 40.64 11.01 0.02 0.97 0.69 3 E H H 122.78 2.83 12.22 16.13 97.07 57.31 -72.15 -31.41 41.75 1.74 56.52 25.23 7.73 9.76 42.92 12.73 0.03 0.96 0.64 4 D H H 90.44 4.13 12.23 17.68 98.66 56.40 -77.60 -17.65 46.08 1.44 52.49 28.49 8.47 10.45 42.31 8.93 0.02 0.71 0.62 5 N C H 79.22 8.18 10.22 19.53 101.40 68.06 -85.24 7.95 55.48 1.42 43.11 33.30 9.46 13.83 35.95 6.05 0.02 0.63 0.76 6 S C C 71.25 4.56 11.90 17.96 101.93 96.00 -80.58 8.06 65.65 0.85 33.50 26.91 13.31 26.32 26.85 5.73 0.02 0.34 0.53 7 G C T 48.90 4.36 12.46 18.14 101.88 35.71 -3.27 -4.04 73.95 0.77 25.27 26.30 17.61 30.92 17.32 7.00 0.01 0.30 0.54 8 K C C 125.01 5.37 11.31 18.22 106.82 101.22 -85.05 66.89 74.82 1.31 23.87 36.14 21.52 17.74 15.88 7.33 0.01 0.52 0.86 9 D C C 98.28 4.18 13.37 18.90 105.97 64.90 -89.15 69.37 76.85 1.95 21.21 45.35 16.72 14.86 13.89 7.18 0.00 0.88 1.11 10 I C C 81.00 10.56 11.16 22.42 109.44 104.39 -87.89 113.42 75.67 1.89 22.44 47.37 16.39 11.84 16.65 5.87 0.00 0.83 1.05 11 K C C 120.64 5.60 15.23 22.04 107.57 110.02 -88.71 54.63 80.38 1.28 18.34 47.99 24.09 8.05 15.22 3.40 0.00 0.47 0.77 12 D C C 72.93 6.68 18.05 25.34 108.76 -48.68 -85.36 117.78 87.71 0.58 11.71 76.25 7.66 2.74 11.72 1.09 0.00 0.21 0.33 13 V H H 27.79 19.39 15.39 34.29 93.32 -144.10 -62.96 -36.01 7.11 0.04 92.85 3.02 1.07 2.85 92.15 0.88 0.00 0.01 0.02 14 I H H 47.37 15.46 18.55 33.66 92.38 53.85 -64.27 -40.73 2.96 0.02 97.02 0.82 0.33 1.63 96.48 0.73 0.00 0.01 0.01 15 D H H 75.18 4.31 22.78 27.04 91.89 50.58 -65.70 -40.45 1.33 0.01 98.66 0.45 0.14 0.67 98.06 0.67 0.00 0.01 0.00 16 I H H 25.70 14.77 19.78 35.14 91.79 50.33 -64.28 -43.64 0.46 0.00 99.54 0.15 0.04 0.22 99.40 0.19 0.00 0.00 0.00 17 V H H 8.83 23.44 19.25 42.35 92.04 49.64 -63.99 -42.78 0.24 0.00 99.76 0.07 0.02 0.12 99.73 0.07 0.00 0.00 0.00 18 L H H 57.63 11.51 22.21 33.72 91.53 50.54 -63.20 -41.87 0.20 0.00 99.80 0.04 0.01 0.11 99.79 0.05 0.00 0.00 0.00 19 Q H H 85.82 4.68 25.02 29.69 91.74 49.88 -64.37 -41.77 0.22 0.00 99.78 0.03 0.01 0.13 99.76 0.06 0.00 0.00 0.00 20 A H H 7.48 19.55 19.07 39.04 91.83 50.75 -64.07 -42.74 0.38 0.00 99.62 0.04 0.02 0.25 99.51 0.18 0.00 0.00 0.00 21 V H H 14.83 22.02 19.17 40.53 91.77 49.67 -64.78 -40.71 0.80 0.00 99.20 0.06 0.04 0.60 98.77 0.52 0.00 0.00 0.00 22 D H H 86.52 5.88 23.23 29.74 91.28 53.42 -66.31 -30.93 6.75 0.00 93.25 0.18 0.23 6.38 92.14 1.05 0.01 0.00 0.00 23 N H H 76.63 8.27 21.65 30.38 94.05 52.28 -87.89 -9.51 35.78 0.04 64.18 1.07 1.66 32.45 63.28 1.49 0.01 0.01 0.03 24 V C C 11.66 24.04 14.30 37.79 106.04 77.16 -83.91 58.80 71.20 2.05 26.74 39.66 14.72 16.58 24.58 2.32 0.02 0.71 1.41 25 K C C 99.28 8.61 23.79 32.86 122.73 151.86 -104.04 137.57 96.78 3.14 0.08 87.49 9.27 0.28 0.04 0.04 0.00 2.10 0.78 26 P C C 39.69 18.01 15.89 33.32 113.57 -103.85 -66.00 143.00 88.71 11.22 0.06 87.59 1.43 0.19 0.01 0.04 0.00 9.91 0.84 27 L C S 66.05 10.63 19.85 31.14 97.63 -157.75 -85.36 -28.15 88.70 11.29 0.01 8.39 79.82 0.47 0.00 0.01 0.00 11.19 0.12 28 M E E 54.13 12.99 16.83 30.64 133.58 12.89 -140.57 143.51 3.88 96.11 0.01 2.77 0.97 0.05 0.00 0.00 0.00 96.10 0.11 29 Q E E 75.17 9.72 18.31 29.04 124.89 -166.96 -122.22 138.84 0.62 99.38 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.42 0.01 30 V E E 55.85 13.42 13.83 27.85 119.94 -155.13 -114.57 129.73 0.96 99.04 0.00 0.90 0.01 0.00 0.00 0.00 0.00 99.07 0.01 31 D E E 69.77 5.57 17.40 24.25 128.29 175.87 -129.17 149.85 2.25 97.74 0.00 2.06 0.05 0.00 0.00 0.00 0.00 97.87 0.01 32 S E E 65.45 7.84 12.37 21.68 118.28 -122.18 -89.08 140.11 5.66 94.33 0.00 5.29 0.11 0.01 0.00 0.00 0.00 94.56 0.03 33 N E E 70.61 6.46 11.91 20.36 128.99 -175.52 -130.30 151.38 3.72 96.27 0.01 3.18 0.33 0.03 0.00 0.01 0.00 96.39 0.07 34 K E E 148.67 2.39 10.42 14.70 114.92 -128.39 -94.17 126.50 5.84 94.14 0.02 5.03 0.52 0.06 0.00 0.01 0.00 94.21 0.17 35 T E E 79.30 4.34 7.63 13.89 114.16 -178.75 -123.92 104.78 16.17 83.69 0.14 12.29 3.20 0.87 0.02 0.13 0.00 82.86 0.63 36 G C T 65.72 0.38 10.47 9.60 107.96 -51.41 62.22 -123.36 99.18 0.48 0.33 3.48 12.92 82.74 0.02 0.38 0.00 0.40 0.07 37 T C T 130.94 0.25 8.96 7.77 98.02 -21.13 -91.36 2.31 99.54 0.18 0.28 2.95 12.08 84.47 0.02 0.32 0.00 0.14 0.03 38 K E E 127.78 2.31 8.35 12.62 123.84 88.65 -108.28 147.35 15.68 84.27 0.04 11.07 4.49 0.45 0.01 0.04 0.00 83.44 0.50 39 V E E 102.93 3.71 8.64 14.58 118.20 -139.80 -104.07 130.68 5.51 94.49 0.00 4.66 0.36 0.02 0.00 0.00 0.00 94.86 0.09 40 M E E 87.09 5.47 11.13 18.80 123.59 -170.10 -120.23 140.12 2.45 97.55 0.00 2.19 0.08 0.00 0.00 0.00 0.00 97.69 0.03 41 H E E 118.58 5.72 12.10 19.81 115.70 -134.83 -95.75 128.96 2.95 97.05 0.00 2.78 0.05 0.00 0.00 0.00 0.00 97.12 0.05 42 V E E 63.19 7.25 14.28 23.39 121.66 -173.63 -120.24 132.92 5.36 94.64 0.00 5.27 0.06 0.00 0.00 0.00 0.00 94.63 0.04 43 P E E 69.25 10.22 13.16 24.33 114.11 -115.02 -70.02 140.21 5.60 94.40 0.00 5.20 0.15 0.00 0.00 0.00 0.00 94.59 0.06 44 R E E 91.31 8.62 15.98 26.14 130.26 -174.69 -135.56 145.25 3.59 96.41 0.00 3.36 0.17 0.01 0.00 0.00 0.00 96.15 0.31 45 P E E 83.85 5.76 19.03 25.71 114.12 -103.83 -67.44 142.87 7.79 92.20 0.01 7.41 0.41 0.02 0.00 0.01 0.00 91.50 0.64 46 L C C 21.28 21.57 9.25 29.80 116.46 -125.84 -88.80 137.27 91.00 8.96 0.04 90.89 0.85 0.04 0.02 0.01 0.00 7.64 0.55 47 K C C 109.01 3.28 20.67 23.44 117.67 -120.72 -77.63 150.32 99.82 0.10 0.08 99.40 0.44 0.04 0.05 0.00 0.00 0.04 0.02 48 P H H 77.19 9.26 14.03 24.32 91.92 -110.56 -56.84 -38.89 13.01 0.04 86.94 2.13 1.32 8.69 76.05 11.76 0.02 0.02 0.02 49 R H H 152.15 3.30 18.43 22.64 92.26 52.84 -65.03 -37.10 9.51 0.03 90.45 1.20 0.85 6.77 79.12 12.02 0.01 0.02 0.01 50 N H H 55.64 10.31 17.82 28.90 92.87 50.95 -69.85 -34.21 6.25 0.05 93.70 2.00 0.72 3.09 82.29 11.85 0.00 0.03 0.01 51 Q H H 41.38 16.81 18.39 34.59 92.13 55.38 -63.39 -41.32 1.16 0.01 98.84 0.40 0.13 0.47 98.49 0.51 0.00 0.00 0.00 52 T H H 36.34 15.84 21.61 36.66 91.90 50.79 -64.00 -42.02 0.30 0.00 99.70 0.06 0.02 0.14 99.68 0.09 0.00 0.00 0.00 53 Q H H 62.76 10.58 24.57 35.21 91.75 50.17 -64.44 -41.98 0.13 0.00 99.87 0.01 0.01 0.07 99.86 0.04 0.00 0.00 0.00 54 F H H 47.35 13.02 25.37 38.57 91.80 49.93 -64.61 -42.06 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 55 A H H 5.79 21.66 22.52 43.94 91.48 50.99 -63.42 -42.84 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 56 V H H 18.80 20.09 24.54 43.71 91.76 50.27 -64.11 -42.00 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 57 K H H 78.94 10.37 27.19 37.81 91.67 51.19 -63.80 -41.93 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 58 W H H 41.99 15.67 25.24 40.65 91.82 50.03 -64.71 -42.42 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 59 I H H 5.76 24.72 23.37 47.52 91.57 49.43 -64.16 -43.66 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 60 I H H 26.92 17.90 24.59 41.74 91.82 48.89 -64.35 -42.98 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 61 E H H 82.51 6.04 28.11 34.91 91.54 49.45 -63.98 -41.90 0.12 0.00 99.88 0.00 0.00 0.09 99.89 0.01 0.00 0.00 0.00 62 A H H 11.80 13.86 23.05 37.95 91.54 49.81 -64.32 -42.18 0.32 0.00 99.68 0.02 0.01 0.23 99.70 0.04 0.00 0.00 0.00 63 A H H 4.43 21.80 19.11 41.22 91.74 50.54 -63.93 -42.18 0.38 0.00 99.62 0.04 0.02 0.23 99.62 0.09 0.00 0.00 0.00 64 I H H 62.38 11.12 22.59 33.65 91.81 50.12 -63.96 -41.95 0.57 0.00 99.43 0.06 0.03 0.36 99.39 0.15 0.00 0.00 0.00 65 K H H 115.55 2.55 24.65 26.13 92.00 49.35 -64.88 -41.32 1.45 0.00 98.55 0.15 0.09 1.01 98.44 0.29 0.00 0.00 0.00 66 R H H 65.24 10.05 18.40 29.51 92.15 48.21 -66.49 -40.13 3.50 0.02 96.48 0.37 0.33 2.56 96.19 0.54 0.01 0.01 0.00 67 C H H 19.70 14.70 12.38 27.92 92.53 51.15 -66.25 -39.36 11.03 0.09 88.88 2.38 1.48 6.88 88.12 1.03 0.02 0.04 0.04 68 M H H 123.90 2.66 15.90 19.28 93.00 51.92 -66.83 -37.91 19.11 0.13 80.76 3.55 2.60 12.92 78.88 1.88 0.04 0.06 0.07 69 A H H 84.73 1.46 14.43 15.64 94.48 48.04 -73.96 -28.87 32.42 0.18 67.40 3.70 5.22 23.52 65.32 2.01 0.05 0.06 0.12 70 S C T 60.07 5.64 11.15 18.26 102.85 35.98 -100.53 -0.66 66.08 0.22 33.70 10.44 13.77 40.21 33.16 2.13 0.01 0.07 0.20 71 K C T 177.82 0.72 14.78 14.58 94.54 -126.53 56.83 27.05 99.09 0.08 0.83 36.27 11.75 51.22 0.38 0.29 0.00 0.04 0.04 72 R C C 93.44 8.05 11.49 21.35 123.95 135.49 -99.42 150.78 99.70 0.23 0.07 66.75 32.71 0.28 0.03 0.02 0.00 0.07 0.13 73 P C C 66.09 4.40 20.53 25.05 116.37 -101.15 -67.55 153.90 99.54 0.35 0.12 98.59 0.92 0.08 0.07 0.02 0.00 0.08 0.24 74 M H H 37.62 20.32 15.40 35.14 91.85 -113.13 -58.65 -39.46 1.70 0.00 98.30 0.38 0.27 0.85 98.09 0.42 0.00 0.00 0.00 75 H H H 67.51 15.76 21.01 35.64 91.29 53.94 -62.50 -41.33 0.66 0.00 99.34 0.07 0.04 0.44 98.91 0.54 0.00 0.00 0.00 76 E H H 89.45 5.98 25.73 31.99 91.71 48.52 -65.87 -40.48 0.23 0.00 99.77 0.03 0.01 0.14 99.31 0.50 0.00 0.00 0.00 77 C H H 13.81 16.46 21.82 38.55 91.82 50.19 -64.29 -42.96 0.16 0.00 99.84 0.02 0.01 0.09 99.77 0.11 0.00 0.00 0.00 78 L H H 4.95 24.60 22.53 46.59 91.81 49.55 -65.04 -42.68 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 79 A H H 19.93 15.14 24.27 39.42 91.32 51.27 -62.91 -42.58 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 80 V H H 57.38 7.37 27.70 36.14 91.70 50.33 -64.31 -41.83 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 81 E H H 12.70 20.75 23.03 43.27 91.54 50.53 -64.26 -42.73 0.14 0.00 99.85 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 82 I H H 12.75 22.71 23.12 45.13 91.71 49.71 -64.33 -42.90 0.19 0.00 99.81 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 83 L H H 55.70 9.35 25.38 35.06 91.50 49.98 -63.70 -42.47 0.25 0.00 99.75 0.02 0.01 0.14 99.75 0.07 0.00 0.00 0.00 84 L H H 36.50 8.37 22.66 32.43 91.37 49.62 -64.33 -41.65 0.67 0.00 99.33 0.07 0.04 0.44 99.20 0.25 0.00 0.00 0.00 85 A H H 6.72 19.92 16.02 36.45 91.65 50.93 -63.68 -41.64 1.32 0.00 98.68 0.12 0.07 1.00 98.27 0.54 0.00 0.00 0.00 86 Y H H 86.63 13.57 18.45 31.75 91.20 52.26 -65.96 -31.09 5.72 0.01 94.27 0.18 0.24 5.34 93.73 0.50 0.01 0.00 0.00 87 Q C T 111.62 3.04 19.66 22.64 93.06 49.73 -88.76 -0.48 82.25 0.01 17.74 0.32 1.62 79.52 18.00 0.51 0.00 0.00 0.02 88 K C T 128.67 8.21 14.49 23.93 94.21 -115.06 62.78 31.95 96.91 0.01 3.07 1.37 3.07 92.30 3.03 0.21 0.00 0.00 0.01 89 K C C 124.24 3.40 17.52 22.10 116.86 132.24 -113.22 128.65 98.34 0.24 1.42 64.76 29.37 4.11 1.07 0.35 0.00 0.06 0.29 90 G C S 26.22 8.58 17.36 26.80 130.74 38.33 105.59 -172.84 83.33 0.41 16.26 32.44 45.70 4.42 15.77 1.21 0.00 0.08 0.38 91 A H H 58.24 5.99 21.71 28.38 92.73 -77.00 -66.23 -32.69 14.62 0.11 85.27 4.05 4.36 6.97 81.82 2.67 0.03 0.03 0.07 92 A H H 7.84 20.13 15.45 35.94 91.50 60.28 -63.77 -38.85 6.47 0.07 93.46 2.13 1.08 3.30 90.79 2.64 0.01 0.03 0.03 93 R H H 75.04 13.37 19.12 32.34 92.02 52.32 -63.84 -41.62 2.22 0.02 97.76 0.88 0.31 0.97 96.00 1.82 0.00 0.01 0.00 94 T H H 77.41 2.43 23.49 24.63 91.79 50.02 -64.07 -41.81 1.55 0.01 98.44 0.58 0.18 0.67 97.94 0.62 0.00 0.00 0.00 95 K H H 81.18 8.67 20.44 29.62 92.10 49.24 -65.70 -40.83 0.99 0.00 99.01 0.27 0.10 0.47 98.92 0.24 0.00 0.00 0.00 96 R H H 55.54 17.40 16.19 32.91 92.00 51.14 -63.83 -41.22 0.62 0.00 99.38 0.13 0.05 0.32 99.36 0.14 0.00 0.00 0.00 97 D H H 74.40 4.86 20.77 26.01 91.72 50.41 -63.83 -41.24 0.56 0.00 99.44 0.10 0.04 0.31 99.44 0.11 0.00 0.00 0.00 98 E H H 105.02 2.30 21.76 22.82 91.91 49.36 -65.28 -40.92 0.61 0.00 99.39 0.10 0.05 0.36 99.39 0.11 0.00 0.00 0.00 99 L H H 38.67 12.31 17.09 30.40 92.12 49.79 -64.91 -41.68 0.55 0.00 99.45 0.08 0.04 0.33 99.45 0.10 0.00 0.00 0.00 100 H H H 67.62 11.76 16.98 29.18 92.07 50.73 -64.04 -41.05 0.63 0.00 99.37 0.11 0.05 0.35 99.36 0.12 0.00 0.00 0.00 101 K H H 124.51 1.88 20.91 21.55 91.88 50.02 -64.61 -41.23 0.80 0.00 99.20 0.14 0.06 0.47 99.17 0.16 0.00 0.00 0.00 102 L H H 81.74 3.71 19.47 23.29 91.96 49.26 -65.03 -40.95 0.92 0.00 99.08 0.16 0.08 0.54 98.99 0.23 0.00 0.00 0.00 103 A H H 22.40 12.85 13.63 27.82 92.29 51.24 -64.08 -40.94 1.65 0.01 98.34 0.31 0.15 0.98 98.13 0.43 0.00 0.00 0.00 104 M H H 97.00 4.43 17.34 22.57 91.74 50.69 -64.45 -39.89 3.81 0.01 96.17 0.67 0.37 2.53 95.61 0.81 0.00 0.01 0.01 105 D H H 94.70 1.48 17.43 17.69 92.19 51.69 -65.97 -36.06 9.94 0.03 90.03 1.34 0.90 7.30 89.06 1.37 0.01 0.01 0.01 106 N H H 74.52 6.50 12.74 20.64 95.63 51.81 -75.25 -24.81 25.60 0.11 74.29 5.67 2.54 17.32 71.39 2.95 0.01 0.04 0.07 107 R H H 126.95 7.21 11.75 20.13 93.56 67.82 -64.78 -36.06 21.89 0.33 77.78 8.16 3.20 10.47 63.82 14.00 0.02 0.18 0.15 108 A H H 82.92 1.60 12.66 14.62 93.72 59.54 -69.36 -26.33 30.22 0.42 69.37 8.33 3.69 17.06 53.78 16.67 0.04 0.23 0.20 109 N H H 117.71 1.87 10.68 13.52 98.39 55.41 -84.70 -4.49 42.96 0.99 56.05 13.19 5.17 24.23 42.23 14.09 0.06 0.52 0.51 110 I C C 103.04 5.95 7.52 14.75 106.20 79.65 -87.42 73.41 64.03 1.61 34.36 47.92 2.73 13.54 30.25 3.89 0.00 0.72 0.95 111 A C C 84.33 2.41 12.22 15.98 109.52 -150.73 -85.57 125.11 99.94 0.03 0.03 99.85 0.06 0.06 0.01 0.00 0.00 0.02 0.00