# 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 R C C 122.37 8.09 11.21 20.52 117.03 -159.07 -92.59 139.92 99.81 0.08 0.11 99.57 0.20 0.09 0.09 0.01 0.00 0.03 0.02 1 S C C 64.02 2.84 12.99 16.64 118.16 -119.69 -80.15 157.87 84.68 0.91 14.41 80.51 1.48 2.14 14.53 0.54 0.00 0.26 0.55 2 Q H H 132.97 2.90 10.73 15.41 93.92 -109.34 -61.85 -35.11 8.53 0.05 91.42 3.05 1.58 3.94 89.76 1.62 0.01 0.02 0.02 3 G H H 47.74 1.48 13.61 14.89 92.92 54.80 -64.93 -40.44 5.39 0.04 94.56 1.62 0.76 2.97 92.68 1.92 0.01 0.02 0.02 4 Q H H 88.86 4.68 14.22 20.10 92.75 49.72 -66.48 -39.92 2.87 0.06 97.07 1.14 0.42 1.40 95.21 1.78 0.01 0.04 0.01 5 I H H 48.47 10.25 12.45 24.11 92.12 50.55 -64.77 -41.94 2.15 0.05 97.80 0.83 0.30 1.00 97.06 0.77 0.00 0.03 0.01 6 N H H 80.33 2.62 17.60 20.14 91.90 50.82 -64.21 -40.85 3.10 0.06 96.84 1.22 0.36 1.49 96.19 0.69 0.00 0.03 0.01 7 A H H 50.27 2.65 16.74 19.63 91.77 50.71 -64.11 -40.95 3.20 0.06 96.73 0.88 0.39 1.94 95.53 1.19 0.01 0.04 0.01 8 A H H 21.90 9.84 11.78 23.79 91.90 51.79 -64.27 -40.65 3.87 0.11 96.02 1.19 0.49 2.25 93.70 2.27 0.01 0.07 0.02 9 R H H 134.11 5.07 13.45 20.09 91.86 51.87 -63.80 -39.43 5.18 0.13 94.69 1.16 0.48 3.45 90.65 4.11 0.02 0.10 0.03 10 R H H 184.41 0.80 13.85 13.75 91.51 53.07 -66.89 -27.91 14.48 0.14 85.38 1.15 0.91 12.34 81.69 3.70 0.06 0.08 0.06 11 Q C T 123.21 2.17 11.75 14.77 94.06 52.40 -87.54 -0.66 70.79 0.13 29.08 0.96 1.96 66.55 27.83 2.52 0.02 0.05 0.12 12 G C T 60.88 1.16 13.02 14.21 96.89 -104.44 84.58 8.74 98.97 0.06 0.97 3.35 3.39 92.46 0.55 0.19 0.00 0.04 0.02 13 L C C 78.98 6.93 9.06 18.00 117.33 140.50 -88.50 140.43 96.21 3.28 0.51 87.93 7.71 0.68 0.27 0.20 0.00 2.64 0.57 14 V C C 107.49 2.79 14.65 18.66 112.55 -127.86 -87.84 122.86 78.14 20.87 0.98 71.56 5.04 0.82 0.52 0.45 0.00 19.79 1.81 15 V C C 67.61 12.61 9.79 22.54 120.39 -170.16 -112.23 132.22 55.08 43.83 1.09 50.59 3.18 0.64 0.72 0.47 0.00 40.91 3.48 16 S E E 68.97 4.09 15.35 20.82 124.44 -165.49 -114.96 146.04 49.19 49.64 1.17 44.92 3.36 0.84 0.58 0.57 0.00 47.53 2.20 17 V C C 83.59 10.26 10.40 21.53 120.67 -160.78 -116.92 135.10 58.60 39.14 2.27 49.57 6.74 1.64 1.07 1.13 0.00 37.77 2.07 18 D C C 101.79 3.48 13.50 18.52 118.06 -151.41 -102.18 136.63 69.13 27.31 3.56 49.58 15.84 3.89 1.48 1.96 0.01 25.17 2.08 19 K C C 133.30 5.05 11.71 18.71 115.87 -123.56 -90.09 134.96 74.29 18.99 6.72 56.24 12.74 5.16 2.95 3.70 0.01 16.71 2.50 20 K C C 127.32 5.82 11.24 18.63 111.26 -135.13 -86.28 132.72 77.67 13.78 8.54 51.74 15.45 10.68 3.07 5.52 0.01 10.74 2.79 21 Y C C 145.82 5.17 10.56 17.33 117.98 -137.64 -106.17 136.83 78.76 12.54 8.70 38.10 20.02 21.98 2.67 5.65 0.04 8.07 3.45 22 G C C 48.93 4.46 11.44 17.33 114.29 17.30 -124.81 146.32 86.65 6.79 6.57 42.52 22.72 22.10 1.62 4.83 0.01 4.09 2.11 23 S C C 71.37 4.96 10.37 16.86 114.07 -118.01 -91.75 139.81 84.84 5.58 9.59 43.49 23.00 18.67 2.29 7.27 0.01 3.06 2.21 24 T C C 100.44 3.66 11.04 16.01 104.23 -111.02 -84.29 11.93 83.31 4.81 11.88 34.95 24.72 24.44 2.63 8.78 0.01 2.59 1.88 25 N C C 108.16 3.82 11.89 17.16 104.66 75.19 -90.97 31.77 80.73 6.76 12.51 39.57 23.30 18.57 2.95 9.23 0.01 3.80 2.56 26 T C C 77.45 7.14 10.36 18.89 109.40 115.19 -92.47 96.35 80.78 9.27 9.95 52.06 16.78 11.71 3.02 7.16 0.01 5.70 3.56 27 R C C 150.15 4.29 11.85 17.81 112.85 -158.55 -95.82 125.42 81.09 11.76 7.15 53.26 16.55 11.19 2.56 4.66 0.01 7.14 4.64 28 G C C 44.51 5.76 11.36 18.50 116.49 -145.32 -102.04 166.40 83.85 10.97 5.18 51.27 21.64 11.21 1.66 3.60 0.01 6.25 4.37 29 D C C 92.83 4.58 11.14 17.28 115.70 -109.28 -94.62 141.75 87.34 6.55 6.11 58.40 18.88 9.83 2.27 3.91 0.00 3.65 3.05 30 N C C 113.74 3.32 11.16 16.05 100.39 -113.33 -76.60 -15.20 80.53 2.37 17.10 32.45 20.44 28.47 6.54 9.72 0.01 1.14 1.23 31 E C T 135.52 2.66 12.57 16.35 101.00 53.97 -81.87 -4.49 77.20 1.45 21.34 18.49 18.62 40.62 9.92 10.71 0.03 0.71 0.90 32 G C C 37.88 7.53 12.41 20.97 103.25 38.43 38.11 -5.28 72.70 3.00 24.30 28.44 21.34 24.05 12.32 10.87 0.05 1.46 1.48 33 Q C C 91.65 8.04 13.51 22.54 103.30 91.56 -80.33 7.53 59.24 7.92 32.84 39.07 10.91 9.23 22.78 10.41 0.05 5.05 2.51 34 R C H 121.01 7.81 15.94 24.29 101.67 69.11 -80.61 3.39 42.59 19.34 38.07 26.43 8.85 8.25 27.12 10.66 0.28 14.59 3.82 35 L H H 71.01 11.14 15.46 26.80 101.36 67.53 -85.33 -9.70 35.16 23.96 40.89 22.68 6.56 6.68 29.59 11.06 0.22 19.95 3.27 36 T H H 51.95 10.94 15.55 27.18 102.80 75.37 -83.01 -3.52 35.93 25.50 38.58 23.12 6.90 6.47 28.87 9.54 0.20 21.86 3.04 37 K C H 106.16 7.61 17.48 25.63 104.00 52.53 -83.45 37.11 39.18 27.00 33.82 23.70 8.35 7.95 25.38 8.27 0.35 21.98 4.01 38 V C C 56.86 11.82 13.49 25.72 106.95 60.16 -86.26 74.23 46.25 24.45 29.31 26.48 11.87 9.14 22.79 6.25 0.52 17.25 5.69 39 D C C 69.88 7.02 14.79 22.96 105.52 27.63 -84.70 69.31 66.74 13.96 19.30 44.50 10.52 10.94 15.62 4.71 0.05 9.85 3.81 40 R C T 132.46 7.88 12.55 21.42 96.36 -125.58 -69.04 -21.38 72.56 3.34 24.10 15.78 15.60 41.45 14.34 9.34 0.11 1.99 1.39 41 E C T 128.27 3.26 14.14 18.33 97.69 59.88 -77.65 -21.35 78.72 1.67 19.61 10.61 14.69 53.25 10.35 9.12 0.05 0.99 0.94 42 T C T 75.92 6.21 12.99 20.42 103.84 43.29 -95.40 3.05 79.38 5.01 15.61 21.64 19.11 39.93 6.19 8.27 0.06 3.03 1.78 43 D C C 75.11 8.89 12.82 22.65 104.63 98.94 -85.14 48.97 79.59 13.89 6.52 53.50 16.97 9.09 3.13 3.49 0.01 10.26 3.56 44 I C C 84.63 9.01 14.18 24.20 113.35 137.57 -96.79 122.24 70.20 24.97 4.83 46.72 17.39 5.74 2.72 2.55 0.05 16.19 8.64 45 V C C 58.76 11.58 13.79 26.30 115.47 -157.17 -97.08 127.56 79.18 18.59 2.22 55.83 20.86 2.60 1.29 1.13 0.01 12.48 5.81 46 K C C 122.00 6.76 17.48 25.56 114.78 -142.57 -91.57 129.55 95.37 4.21 0.42 86.86 7.90 0.67 0.18 0.21 0.00 3.44 0.75 47 P C C 42.37 16.36 11.38 27.22 115.01 -113.87 -69.70 149.39 95.18 2.16 2.66 87.85 4.01 3.63 0.67 1.71 0.00 1.46 0.67 48 K C C 143.47 3.84 17.21 22.02 97.67 -126.22 -74.43 -16.63 94.69 2.60 2.71 44.50 40.31 9.99 0.50 2.32 0.00 1.63 0.75 49 K C C 126.92 4.50 18.89 24.38 124.79 13.29 -118.57 140.91 75.08 21.31 3.61 45.01 22.41 7.87 1.23 2.71 0.02 13.42 7.31 50 L C C 38.31 20.67 11.39 30.89 118.61 -141.47 -98.93 135.13 75.77 23.07 1.16 60.91 13.77 0.80 0.77 0.51 0.00 11.03 12.21 51 D C C 57.01 9.10 18.17 28.29 111.82 -114.89 -74.50 138.54 98.84 0.75 0.42 97.42 1.42 0.24 0.27 0.06 0.00 0.42 0.17 52 P H H 78.90 8.91 16.92 26.76 92.55 -133.52 -63.16 -29.13 49.56 0.23 50.22 5.71 4.53 37.41 49.92 2.19 0.02 0.13 0.09 53 N H H 80.88 7.34 22.13 29.64 93.17 60.45 -68.02 -31.72 34.77 0.17 65.06 4.70 3.26 25.41 64.72 1.73 0.03 0.08 0.08 54 V H H 9.31 21.91 18.80 40.34 92.57 53.89 -64.22 -42.56 3.60 0.03 96.37 1.18 0.51 1.76 95.77 0.75 0.00 0.02 0.01 55 G H H 7.62 18.62 20.00 38.50 91.41 52.04 -62.63 -42.28 1.62 0.01 98.36 0.59 0.17 0.75 98.09 0.39 0.00 0.01 0.00 56 R H H 121.56 4.17 26.87 31.20 91.68 50.40 -64.81 -40.93 0.65 0.01 99.34 0.24 0.06 0.30 99.24 0.16 0.00 0.01 0.00 57 A H H 14.37 14.32 23.08 38.00 91.37 50.84 -63.56 -43.07 0.25 0.00 99.75 0.07 0.02 0.11 99.74 0.05 0.00 0.00 0.00 58 I H H 2.97 25.82 20.87 46.56 91.58 49.86 -64.13 -43.10 0.14 0.00 99.86 0.03 0.01 0.07 99.87 0.02 0.00 0.00 0.00 59 S H H 32.18 12.31 23.62 36.00 91.53 51.43 -63.09 -42.50 0.14 0.00 99.86 0.02 0.01 0.08 99.88 0.02 0.00 0.00 0.00 60 R H H 121.26 3.30 26.53 29.32 91.59 49.43 -64.40 -41.53 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 61 A H H 8.62 15.50 18.77 35.60 91.57 50.25 -63.89 -42.46 0.26 0.00 99.74 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 62 R H H 30.87 17.05 15.81 33.11 91.98 50.60 -63.70 -41.74 0.77 0.00 99.23 0.10 0.05 0.49 99.22 0.13 0.00 0.00 0.00 63 T H H 86.35 3.20 18.71 22.34 92.43 49.21 -65.62 -41.03 2.12 0.00 97.87 0.16 0.10 1.64 97.75 0.34 0.00 0.00 0.00 64 D H H 101.40 2.56 16.96 20.04 91.79 49.93 -67.81 -32.84 9.01 0.01 90.97 0.31 0.46 8.01 90.75 0.44 0.01 0.00 0.01 65 K C T 85.57 9.59 12.62 23.34 95.70 44.80 -92.47 0.25 79.10 0.05 20.85 1.28 3.44 72.34 21.99 0.87 0.00 0.01 0.06 66 K C T 175.18 0.79 17.88 17.18 93.49 -123.92 57.51 38.54 99.65 0.01 0.34 4.44 1.79 93.54 0.16 0.05 0.00 0.00 0.00 67 M C C 37.84 15.56 9.66 25.35 123.62 151.12 -100.95 148.52 99.48 0.33 0.19 97.13 2.19 0.16 0.13 0.03 0.00 0.09 0.28 68 S C C 53.96 2.93 23.25 24.90 122.87 -123.40 -81.47 163.30 99.35 0.41 0.24 99.07 0.32 0.08 0.16 0.02 0.00 0.09 0.26 69 Q H H 53.79 18.96 13.83 32.00 91.41 -108.41 -58.23 -39.16 0.98 0.00 99.01 0.11 0.13 0.63 98.93 0.19 0.00 0.00 0.00 70 K H H 125.64 3.78 20.61 25.26 91.56 53.27 -63.41 -41.00 0.52 0.00 99.48 0.03 0.03 0.42 99.26 0.25 0.00 0.00 0.00 71 D H H 64.26 4.89 22.13 27.18 91.84 48.51 -65.41 -41.19 0.44 0.00 99.56 0.05 0.03 0.31 99.26 0.35 0.00 0.00 0.00 72 L H H 4.56 22.22 15.69 38.60 91.66 49.70 -64.14 -43.66 0.10 0.00 99.90 0.01 0.01 0.06 99.89 0.04 0.00 0.00 0.00 73 A H H 9.61 16.26 16.08 33.56 91.49 51.72 -62.57 -42.47 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.05 0.00 0.00 0.00 74 T H H 94.78 1.80 22.37 22.95 92.07 49.21 -65.01 -41.35 0.21 0.00 99.79 0.01 0.00 0.18 99.72 0.10 0.00 0.00 0.00 75 K H H 96.84 8.89 19.39 28.69 91.86 49.28 -66.64 -37.80 1.14 0.00 98.86 0.02 0.03 1.09 98.73 0.13 0.00 0.00 0.00 76 I H H 17.43 19.77 14.23 34.36 96.82 33.74 -97.21 -3.42 17.31 0.02 82.67 0.42 1.08 15.50 82.66 0.30 0.01 0.00 0.02 77 N C T 121.42 2.60 21.43 24.38 93.25 -123.49 58.80 40.36 99.85 0.01 0.14 6.82 3.18 89.90 0.06 0.03 0.00 0.01 0.00 78 E C C 45.68 14.94 12.86 28.20 135.93 122.51 -131.27 162.93 99.19 0.75 0.06 59.66 39.20 0.21 0.03 0.02 0.00 0.14 0.74 79 K C C 122.00 2.80 22.58 24.71 115.48 -94.76 -69.50 146.49 99.87 0.10 0.03 99.67 0.22 0.01 0.02 0.00 0.00 0.03 0.05 80 P H H 53.33 15.96 13.16 28.87 91.66 -116.55 -57.43 -37.55 1.45 0.00 98.55 0.14 0.13 0.97 98.38 0.37 0.00 0.00 0.00 81 T H H 85.91 2.81 23.26 25.79 91.46 57.41 -63.90 -37.69 0.64 0.00 99.36 0.04 0.04 0.49 99.00 0.43 0.00 0.00 0.00 82 V H H 27.26 12.68 20.57 34.07 92.02 50.28 -65.12 -42.30 0.20 0.00 99.80 0.02 0.01 0.12 99.56 0.28 0.00 0.00 0.00 83 V H H 2.62 25.60 16.73 42.88 91.35 49.62 -63.40 -43.84 0.11 0.00 99.89 0.01 0.01 0.06 99.85 0.07 0.00 0.00 0.00 84 N H H 56.74 10.07 23.24 33.52 91.50 50.81 -62.99 -42.05 0.17 0.00 99.83 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 85 D H H 55.42 5.87 24.05 30.44 91.65 50.17 -64.01 -41.68 0.31 0.00 99.69 0.02 0.02 0.23 99.63 0.10 0.00 0.00 0.00 86 Y H H 14.80 20.55 18.78 39.32 92.30 49.88 -64.82 -43.08 0.46 0.00 99.54 0.02 0.02 0.40 99.28 0.29 0.00 0.00 0.00 87 E H H 35.22 19.26 19.26 37.84 90.99 50.79 -66.11 -33.81 2.51 0.00 97.49 0.04 0.07 2.54 97.02 0.32 0.00 0.00 0.00 88 A C T 58.04 4.93 22.54 28.04 92.28 50.67 -86.26 -4.89 75.08 0.03 24.89 0.19 1.32 72.77 25.08 0.58 0.01 0.01 0.04 89 A C T 41.59 15.12 14.74 30.01 93.84 -116.35 66.87 23.49 98.88 0.02 1.10 0.40 3.72 94.90 0.87 0.09 0.00 0.01 0.01 90 R C S 150.06 3.00 20.91 24.26 95.80 126.46 -90.73 -13.28 99.56 0.34 0.09 21.57 76.52 1.45 0.03 0.04 0.00 0.09 0.30 91 A C S 25.91 12.79 16.43 30.26 136.75 30.99 -140.82 159.04 98.74 1.20 0.06 28.71 69.80 0.28 0.02 0.02 0.00 0.28 0.89 92 I C C 86.05 9.43 23.47 33.12 116.79 -117.10 -96.76 127.76 99.55 0.44 0.01 97.03 2.57 0.03 0.00 0.00 0.00 0.16 0.19 93 P C C 9.68 24.27 12.10 36.48 115.17 -111.45 -67.42 145.21 99.35 0.63 0.03 98.49 0.87 0.03 0.01 0.01 0.00 0.15 0.44 94 N C C 71.34 5.63 22.20 27.65 122.87 -129.67 -83.56 165.94 99.50 0.43 0.07 98.94 0.55 0.03 0.04 0.01 0.00 0.08 0.36 95 Q H H 122.85 5.44 15.80 22.89 91.01 -99.20 -59.72 -35.83 1.06 0.00 98.94 0.08 0.12 0.75 98.90 0.16 0.00 0.00 0.00 96 Q H H 116.45 2.27 20.48 22.37 91.72 53.47 -64.19 -40.73 0.46 0.00 99.54 0.03 0.02 0.37 99.43 0.16 0.00 0.00 0.00 97 V H H 11.50 19.61 16.73 36.56 92.07 48.03 -65.45 -42.31 0.13 0.00 99.87 0.01 0.01 0.09 99.80 0.10 0.00 0.00 0.00 98 L H H 14.95 21.52 17.69 38.74 91.47 51.46 -62.53 -42.96 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 99 S H H 50.44 4.65 23.52 28.25 91.43 51.07 -63.40 -41.85 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 100 K H H 78.19 8.43 23.42 32.09 91.82 49.42 -65.53 -41.39 0.08 0.00 99.92 0.00 0.00 0.07 99.92 0.01 0.00 0.00 0.00 101 L H H 2.67 25.75 18.04 44.23 91.40 49.98 -64.14 -43.09 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 102 E H H 37.56 15.81 19.67 35.36 91.19 51.94 -61.94 -42.80 0.10 0.00 99.90 0.01 0.00 0.06 99.87 0.05 0.00 0.00 0.00 103 R H H 154.48 1.89 23.49 24.46 91.57 49.77 -63.69 -41.05 0.18 0.00 99.82 0.01 0.00 0.15 99.70 0.14 0.00 0.00 0.00 104 A H H 26.13 14.85 18.39 33.42 91.66 50.93 -66.08 -36.89 0.95 0.00 99.05 0.02 0.02 0.90 98.86 0.20 0.00 0.00 0.00 105 L H H 16.01 20.97 15.24 36.30 94.16 42.61 -88.68 -5.03 17.23 0.01 82.76 0.33 0.72 16.21 82.24 0.49 0.01 0.00 0.01 106 G C T 54.42 2.30 22.25 24.23 94.60 -116.73 71.03 24.97 99.66 0.04 0.31 6.67 2.87 90.22 0.15 0.06 0.00 0.02 0.01 107 V C C 26.80 18.27 10.49 28.39 125.44 132.61 -110.96 147.57 97.56 2.24 0.20 87.60 9.50 0.60 0.09 0.09 0.00 1.46 0.66 108 K C C 145.11 2.12 20.59 22.55 115.77 -131.11 -95.50 131.10 94.69 5.06 0.25 93.49 1.43 0.43 0.08 0.09 0.00 3.29 1.19 109 L C C 55.53 19.04 9.73 26.99 111.84 -139.47 -85.42 130.30 93.03 6.65 0.32 93.63 0.39 0.29 0.13 0.09 0.00 3.36 2.12 110 R C C 149.08 4.30 17.44 22.75 111.21 -152.36 -91.14 120.75 99.89 0.10 0.01 99.84 0.07 0.02 0.00 0.00 0.00 0.05 0.01