# 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 81.88 10.45 12.98 24.15 117.40 -153.93 -92.01 143.75 99.94 0.04 0.02 99.76 0.17 0.03 0.01 0.00 0.00 0.01 0.01 1 N C C 86.72 4.02 18.11 22.32 116.05 -117.88 -81.06 154.60 94.62 0.29 5.09 93.22 0.64 0.84 4.87 0.16 0.00 0.07 0.19 2 S H H 41.27 15.73 12.49 27.66 93.84 -110.64 -60.87 -38.32 4.18 0.01 95.80 1.38 0.71 1.82 95.58 0.50 0.00 0.00 0.00 3 Q H H 104.07 6.59 17.66 25.36 91.88 53.01 -64.25 -40.12 1.42 0.00 98.58 0.30 0.16 0.76 98.39 0.39 0.00 0.00 0.00 4 E H H 102.75 3.35 21.30 24.38 91.73 49.31 -65.31 -41.14 0.56 0.00 99.44 0.15 0.05 0.27 99.20 0.33 0.00 0.00 0.00 5 L H H 20.74 17.91 18.46 36.40 91.77 49.98 -64.17 -43.07 0.28 0.00 99.72 0.06 0.02 0.13 99.71 0.08 0.00 0.00 0.00 6 L H H 12.13 22.34 19.46 41.35 91.28 50.80 -63.27 -42.16 0.17 0.00 99.83 0.03 0.01 0.08 99.86 0.02 0.00 0.00 0.00 7 A H H 48.96 6.56 25.37 32.44 91.34 51.32 -63.29 -41.62 0.12 0.00 99.88 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 8 I H H 48.38 9.17 25.63 35.66 91.51 49.36 -64.30 -42.68 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 9 A H H 1.43 26.36 21.61 48.04 91.54 49.59 -63.73 -43.77 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 10 V H H 15.42 20.27 23.01 42.46 91.30 49.79 -63.13 -43.27 0.35 0.00 99.65 0.03 0.02 0.22 99.67 0.05 0.00 0.00 0.00 11 D H H 82.61 3.23 27.90 30.88 91.43 50.32 -63.67 -41.58 1.24 0.00 98.76 0.09 0.05 0.90 98.78 0.17 0.00 0.00 0.00 12 A H H 14.00 13.57 21.84 36.40 91.53 50.31 -64.02 -42.35 3.77 0.01 96.22 0.26 0.25 3.04 95.95 0.48 0.01 0.00 0.01 13 I H H 3.16 25.66 15.88 41.99 92.26 49.02 -65.34 -41.56 10.52 0.13 89.35 2.00 1.41 7.26 88.04 1.12 0.05 0.06 0.07 14 D H H 71.33 10.77 19.72 30.49 92.36 52.62 -63.90 -39.73 23.47 0.39 76.13 6.75 2.80 14.40 73.00 2.58 0.06 0.18 0.23 15 N H H 116.42 2.12 20.98 22.80 91.73 51.55 -68.98 -24.98 39.61 0.36 60.03 3.65 4.85 30.74 56.30 3.89 0.15 0.16 0.24 16 K C T 91.57 10.62 16.80 27.79 96.49 45.04 -94.55 4.30 77.74 0.21 22.05 2.12 8.16 67.56 17.48 4.34 0.03 0.09 0.23 17 K C T 124.82 6.01 22.91 29.38 95.60 -112.96 65.47 32.37 93.12 0.40 6.48 8.30 7.77 77.40 4.61 1.53 0.00 0.21 0.19 18 G C C 5.79 24.25 10.81 34.38 117.96 163.57 -78.08 148.76 77.81 21.66 0.53 74.05 2.53 0.69 0.11 0.39 0.00 20.99 1.24 19 E C E 98.93 5.11 24.73 30.31 128.51 -159.20 -124.28 157.61 59.78 39.89 0.33 22.47 33.64 2.98 0.04 0.34 0.00 39.88 0.66 20 D E E 89.52 5.07 24.04 29.42 96.46 11.08 60.52 48.57 19.62 80.15 0.22 12.50 5.90 1.22 0.02 0.22 0.00 79.96 0.17 21 T E E 20.04 24.05 12.07 35.23 117.10 -177.09 -86.72 133.07 4.28 95.70 0.01 3.96 0.19 0.01 0.00 0.00 0.00 95.77 0.06 22 I E E 60.72 9.23 25.97 35.64 123.16 -170.25 -122.21 134.00 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 23 S E E 34.91 19.31 18.19 36.40 120.86 -157.68 -109.21 130.96 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 24 L E E 38.05 15.17 19.36 34.95 120.54 -168.34 -118.17 128.15 0.92 99.07 0.01 0.85 0.03 0.00 0.00 0.00 0.00 99.08 0.02 25 E E E 103.85 7.64 21.54 29.92 110.99 -140.96 -90.16 119.71 10.79 89.17 0.04 9.85 0.51 0.06 0.01 0.02 0.00 89.34 0.20 26 M C C 28.76 19.86 12.20 32.01 101.21 -174.31 -99.29 10.21 81.28 17.72 1.00 77.91 2.28 0.99 0.19 0.81 0.00 16.91 0.91 27 K C T 134.76 4.40 15.52 22.13 109.70 144.66 -66.52 129.07 87.93 8.73 3.34 13.78 17.32 57.05 0.37 3.31 0.01 6.32 1.82 28 G C T 61.65 1.41 16.08 17.03 95.63 17.44 80.75 -2.15 93.39 3.73 2.88 8.09 25.17 60.05 0.22 3.05 0.00 2.65 0.78 29 I C C 79.50 10.05 13.14 23.86 101.93 72.96 -93.81 -27.86 89.49 6.90 3.61 44.72 33.53 11.02 0.57 3.48 0.00 3.31 3.36 30 S C C 35.68 10.75 13.54 25.39 136.76 7.81 -144.86 162.07 89.73 8.75 1.52 47.87 35.82 5.72 0.43 1.11 0.00 3.22 5.83 31 D C S 117.92 2.79 17.29 20.33 92.93 -116.67 -70.94 -20.95 97.57 1.11 1.33 2.72 61.38 33.92 0.14 0.86 0.00 0.65 0.34 32 M C S 87.16 9.48 17.43 27.30 98.95 49.20 -91.73 -22.48 94.48 4.46 1.06 7.41 55.06 32.37 0.11 0.80 0.00 3.42 0.83 33 T C C 13.84 20.28 14.37 34.48 128.01 45.35 -124.40 143.34 73.08 26.72 0.19 66.27 5.63 0.60 0.04 0.18 0.00 25.10 2.18 34 D C S 50.18 10.42 23.12 34.24 98.78 -169.44 -88.62 -32.14 78.33 21.65 0.02 20.27 57.81 0.54 0.00 0.02 0.00 21.05 0.31 35 Y E E 22.08 18.69 22.98 41.53 139.07 6.67 -149.33 149.85 3.19 96.81 0.01 2.26 0.78 0.04 0.00 0.00 0.00 96.82 0.08 36 F E E 16.36 21.33 25.07 45.46 127.54 -160.32 -128.31 139.16 0.16 99.84 0.00 0.14 0.01 0.00 0.00 0.00 0.00 99.85 0.01 37 V E E 2.82 25.09 25.66 50.53 119.10 -159.75 -112.41 125.49 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 38 V E E 10.10 20.77 28.30 48.30 118.21 -163.63 -111.32 125.39 0.09 99.91 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 39 T E E 2.85 25.15 23.92 48.72 133.63 177.71 -132.68 152.09 0.52 99.48 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.01 40 H E E 44.98 14.84 27.55 42.30 121.36 -145.57 -113.64 135.63 6.09 93.91 0.00 5.42 0.37 0.01 0.00 0.00 0.00 94.01 0.17 41 G E E 4.75 22.30 16.67 38.77 132.88 -157.62 -130.43 160.41 49.94 50.03 0.04 46.62 2.42 0.16 0.01 0.03 0.00 49.91 0.85 42 N C S 97.69 6.25 22.44 29.41 98.27 -138.29 -92.34 -12.62 98.62 1.36 0.02 18.46 80.00 0.41 0.00 0.01 0.00 1.03 0.09 43 N C S 64.51 4.45 23.76 28.07 139.24 8.37 -149.94 165.74 98.72 0.78 0.50 27.83 70.73 0.31 0.45 0.05 0.00 0.16 0.47 44 E H H 100.16 12.51 15.65 28.18 91.81 -102.51 -60.86 -36.18 1.53 0.00 98.47 0.18 0.27 0.92 98.31 0.32 0.00 0.00 0.00 45 R H H 155.55 1.92 22.49 23.80 91.44 54.07 -63.13 -40.82 0.70 0.00 99.30 0.07 0.06 0.49 99.00 0.39 0.00 0.00 0.00 46 Q H H 44.70 13.69 19.69 33.52 92.07 48.91 -65.92 -40.03 0.21 0.00 99.79 0.03 0.02 0.12 99.53 0.30 0.00 0.00 0.00 47 V H H 4.02 25.18 16.68 42.14 91.38 50.31 -63.14 -43.14 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 48 Q H H 79.25 9.11 25.72 35.03 91.36 50.65 -63.52 -41.86 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 49 A H H 34.46 5.96 26.42 33.54 91.26 50.70 -63.31 -42.51 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 50 I H H 3.82 24.51 22.81 46.87 91.78 49.35 -64.53 -43.26 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 51 A H H 5.28 22.97 22.30 44.76 90.94 51.09 -62.26 -43.34 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 52 R H H 125.63 3.54 28.35 32.15 91.37 50.11 -63.98 -41.36 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 53 A H H 23.72 10.71 24.77 36.40 91.52 50.11 -64.36 -42.34 0.15 0.00 99.85 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 54 V H H 1.08 27.61 19.22 47.59 91.37 49.56 -63.86 -43.42 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 55 K H H 71.91 14.66 22.84 36.38 91.23 51.25 -61.82 -42.77 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 56 E H H 106.26 2.06 26.07 26.28 91.47 49.53 -63.79 -42.32 0.28 0.00 99.72 0.03 0.01 0.18 99.73 0.05 0.00 0.00 0.00 57 V H H 26.97 11.59 20.03 32.88 91.81 48.55 -64.99 -42.13 0.46 0.00 99.54 0.04 0.02 0.31 99.50 0.12 0.00 0.00 0.00 58 A H H 4.42 21.85 12.52 34.75 91.35 50.88 -63.59 -42.54 1.48 0.00 98.52 0.20 0.10 1.00 98.15 0.55 0.00 0.00 0.00 59 N H H 103.36 3.47 17.51 22.00 92.00 49.98 -64.50 -39.61 4.40 0.01 95.59 0.37 0.19 3.54 94.52 1.38 0.00 0.00 0.00 60 E H H 138.72 1.58 16.56 17.94 90.91 53.00 -66.16 -28.84 13.20 0.02 86.79 0.42 0.49 12.46 85.64 0.96 0.01 0.01 0.01 61 Q C T 81.45 8.66 12.17 22.28 95.33 45.90 -96.34 8.03 88.67 0.04 11.30 0.55 2.28 85.53 10.80 0.79 0.00 0.01 0.04 62 N C T 139.93 0.73 18.05 16.89 93.65 -115.81 61.61 35.61 99.78 0.01 0.21 1.24 1.73 96.92 0.08 0.04 0.00 0.00 0.00 63 I C C 30.83 18.57 9.14 27.03 119.69 142.60 -106.65 133.97 98.81 1.12 0.07 96.79 2.07 0.15 0.02 0.02 0.00 0.62 0.31 64 E C C 132.43 2.00 23.32 24.38 110.80 -131.40 -87.18 121.67 97.37 2.57 0.05 96.64 0.86 0.16 0.01 0.02 0.00 2.07 0.23 65 V C C 29.96 22.44 9.78 30.89 114.80 -154.50 -91.23 125.87 74.52 25.21 0.27 74.42 0.88 0.19 0.07 0.15 0.00 22.83 1.46 66 K C C 118.37 4.36 20.44 25.30 99.71 -176.35 -88.33 -33.59 66.13 33.72 0.15 41.48 23.99 0.91 0.02 0.15 0.00 32.90 0.55 67 R E E 113.02 5.60 21.67 28.25 137.55 -2.74 -153.63 150.94 17.74 82.12 0.15 14.42 2.84 0.35 0.03 0.10 0.00 81.90 0.36 68 M E E 63.81 20.00 13.17 31.69 124.08 -159.25 -121.21 132.49 7.65 92.18 0.16 7.26 0.40 0.09 0.07 0.08 0.00 91.09 1.01 69 E E E 90.36 6.60 20.46 28.04 129.49 -176.05 -127.86 147.65 17.28 82.05 0.67 13.47 3.21 1.13 0.22 0.45 0.00 79.94 1.58 70 G C E 35.33 7.95 16.66 25.66 118.78 29.26 101.32 -158.82 57.11 42.10 0.79 37.14 16.06 3.88 0.11 0.74 0.00 41.38 0.69 71 Y C C 88.70 13.09 12.24 25.28 116.45 -78.91 -105.17 139.60 76.49 19.54 3.97 52.84 15.67 8.00 0.77 3.60 0.00 16.53 2.58 72 N C T 128.11 2.15 15.70 18.62 97.09 -47.77 -67.43 -21.30 88.26 2.11 9.63 8.67 30.01 49.04 0.64 9.63 0.00 1.33 0.70 73 E C T 140.93 2.46 16.47 19.30 98.19 40.38 -88.91 -2.26 87.49 1.12 11.38 8.40 25.83 52.34 0.88 11.39 0.00 0.63 0.52 74 A C C 26.19 15.84 11.53 27.29 122.25 93.48 -101.57 150.54 89.00 4.90 6.10 36.99 36.87 14.62 0.60 6.52 0.00 3.06 1.34 75 R C S 108.00 9.15 21.46 31.00 95.97 -142.86 -78.93 -24.27 94.93 4.82 0.25 7.35 76.14 11.15 0.01 0.25 0.00 4.84 0.26 76 W E E 28.57 19.51 19.02 38.29 133.58 27.94 -136.54 146.78 19.66 80.24 0.10 10.02 6.30 3.39 0.01 0.10 0.00 79.94 0.25 77 I E E 11.60 19.53 23.85 43.38 126.33 -164.85 -125.19 136.68 0.58 99.42 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.47 0.01 78 L E E 14.56 20.04 25.59 44.98 117.07 -153.20 -105.03 126.55 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 79 I E E 6.36 23.07 23.39 46.19 122.30 -169.47 -120.40 130.46 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 80 D E E 34.09 13.91 25.57 39.63 113.52 -150.60 -99.80 120.43 0.49 99.51 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 81 L E E 13.55 21.66 19.05 40.56 104.81 177.20 -111.83 29.72 29.77 70.19 0.03 27.00 1.31 0.13 0.01 0.02 0.00 71.15 0.38 82 A C T 49.79 9.82 22.88 32.62 103.52 -83.00 61.99 -89.55 99.22 0.58 0.20 1.33 32.04 65.93 0.01 0.20 0.00 0.43 0.07 83 D C T 70.16 10.93 21.48 32.33 99.24 9.74 -101.21 -2.00 99.53 0.31 0.16 0.97 30.46 68.14 0.00 0.15 0.00 0.25 0.03 84 V E E 12.81 21.40 19.22 40.34 128.49 66.82 -122.60 143.22 9.05 90.94 0.01 6.81 1.48 0.07 0.00 0.01 0.00 91.47 0.18 85 V E E 15.15 18.36 25.18 43.42 117.59 -152.43 -109.20 126.22 0.22 99.78 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 86 V E E 3.57 24.63 24.60 49.03 120.45 -166.89 -116.24 128.18 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.96 0.00 87 H E E 11.95 20.99 27.88 48.07 118.29 -160.94 -108.88 128.76 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.96 0.00 88 V E E 4.62 23.85 25.82 49.27 116.91 -160.21 -109.55 124.46 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 89 F E E 11.52 20.60 21.36 41.91 136.00 170.56 -135.05 159.81 2.06 97.94 0.00 1.82 0.09 0.00 0.00 0.00 0.00 97.95 0.14 90 H C C 36.98 12.51 20.12 33.75 114.53 -101.45 -69.63 145.61 62.98 36.99 0.03 61.19 1.08 0.03 0.01 0.01 0.00 37.41 0.26 91 K H H 106.47 8.47 16.52 26.12 91.54 -112.43 -57.29 -38.56 17.51 0.11 82.37 1.21 1.70 12.91 59.44 24.60 0.04 0.07 0.05 92 D H H 106.57 1.40 19.76 19.77 91.73 53.46 -67.28 -31.66 14.88 0.04 85.08 0.81 1.00 11.42 61.78 24.92 0.02 0.02 0.02 93 E H H 43.47 14.15 14.01 28.59 95.56 46.46 -83.11 -27.52 9.99 0.06 89.95 1.28 0.98 6.26 64.62 26.79 0.01 0.04 0.02 94 R H H 58.45 18.00 11.64 28.77 91.75 67.71 -62.26 -39.01 11.51 0.16 88.34 2.87 1.39 6.26 68.75 20.58 0.01 0.08 0.05 95 N H H 120.38 1.46 18.53 19.30 91.99 55.00 -69.27 -31.18 27.85 0.12 72.03 1.75 1.68 22.87 52.36 21.14 0.05 0.07 0.07 96 Y H H 129.47 4.77 17.19 22.77 95.66 50.49 -77.12 -31.31 32.04 0.24 67.72 2.25 3.25 24.96 52.56 16.58 0.12 0.13 0.14 97 Y C H 41.03 18.60 12.23 30.13 103.25 44.30 -103.09 12.00 58.79 2.80 38.41 18.45 26.63 15.77 30.51 5.41 0.29 1.01 1.94 98 N C C 77.35 6.21 20.71 27.64 101.13 -146.46 -45.32 73.45 94.29 0.78 4.92 84.80 2.55 7.22 3.71 0.90 0.00 0.34 0.48 99 I H H 24.97 20.92 12.26 32.88 94.54 172.76 -64.97 -36.05 18.48 0.29 81.23 9.54 2.50 6.51 63.31 17.85 0.02 0.15 0.13 100 E H H 103.39 6.57 16.82 24.54 91.68 58.75 -63.71 -35.80 7.15 0.04 92.81 0.55 0.53 5.17 66.99 26.72 0.01 0.02 0.01 101 K H H 127.41 2.35 18.20 20.35 92.89 49.64 -69.64 -34.83 6.60 0.03 93.36 0.48 0.46 4.78 67.05 27.20 0.01 0.02 0.01 102 L H H 39.99 15.15 13.52 28.73 94.94 48.91 -73.85 -35.47 13.46 0.13 86.41 1.41 1.54 9.26 67.69 19.92 0.05 0.07 0.06 103 Y H H 54.62 16.08 12.15 28.02 100.50 40.45 -99.85 3.88 43.80 6.72 49.49 13.29 8.08 22.62 34.29 14.18 0.72 2.87 3.95 104 Q C T 118.72 3.92 14.78 20.16 98.62 111.88 -62.49 -38.61 70.44 2.40 27.16 10.50 9.10 49.76 17.27 10.64 0.10 1.36 1.27 105 D C T 122.70 1.38 15.75 16.76 99.85 21.81 -90.86 13.83 79.71 1.56 18.73 15.23 12.99 51.93 8.19 9.98 0.02 0.87 0.79 106 A C C 29.42 16.34 7.69 23.09 118.64 138.78 -78.08 145.63 98.05 1.76 0.19 53.06 44.95 0.45 0.07 0.09 0.00 0.95 0.42 107 P C C 87.35 2.88 17.04 20.13 114.02 -103.89 -66.19 148.39 92.24 7.47 0.28 90.24 2.10 0.46 0.09 0.15 0.00 5.58 1.38 108 L C C 106.20 8.87 10.49 20.82 116.94 -129.64 -92.82 133.06 57.28 41.85 0.87 52.18 2.97 0.59 0.57 0.37 0.00 23.95 19.37 109 E C C 100.50 6.44 12.44 20.66 121.66 -164.84 -111.61 140.05 71.47 27.15 1.38 64.53 5.04 1.02 0.67 0.72 0.00 24.70 3.32 110 S C C 79.73 3.07 13.49 18.01 112.04 -127.02 -87.57 127.91 82.08 15.24 2.68 73.36 6.35 1.91 1.18 1.33 0.00 14.00 1.86 111 Y C C 109.79 10.86 9.06 20.29 101.35 -162.94 -86.19 -5.96 62.22 3.43 34.36 39.16 9.87 13.51 11.51 22.66 0.00 2.39 0.89 112 S C G 80.55 3.03 12.08 16.51 99.34 88.87 -75.73 -11.56 55.88 2.20 41.92 27.05 11.08 18.11 13.35 28.31 0.02 1.33 0.74 113 Q C G 126.70 2.63 11.49 15.37 101.71 62.20 -86.91 7.94 50.59 3.18 46.24 28.48 10.07 12.95 13.20 32.40 0.01 2.00 0.88 114 V C C 73.40 8.59 7.95 17.51 110.65 94.22 -91.91 114.59 62.47 5.78 31.75 41.23 11.34 10.11 13.72 18.05 0.02 3.71 1.81 115 A C C 76.78 3.88 9.88 15.44 111.13 -155.02 -90.45 120.23 80.43 4.42 15.14 70.99 2.19 8.66 8.44 5.05 0.00 2.87 1.81 116 Y C C 137.89 7.05 11.49 19.72 113.55 -156.93 -100.34 121.35 99.87 0.09 0.04 99.76 0.08 0.08 0.02 0.00 0.00 0.05 0.01