# 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 T C C 94.31 3.86 18.51 23.29 117.02 -151.34 -99.97 129.56 99.92 0.07 0.01 99.72 0.19 0.04 0.00 0.00 0.00 0.03 0.01 1 I C C 65.07 15.10 11.40 26.31 116.52 -141.71 -97.18 127.75 99.56 0.42 0.02 98.96 0.64 0.06 0.01 0.00 0.00 0.14 0.19 2 P C C 49.87 10.72 13.53 25.59 117.02 -111.89 -67.70 152.43 99.72 0.25 0.03 97.95 1.70 0.14 0.01 0.01 0.00 0.09 0.10 3 K C C 147.48 2.53 19.31 22.49 115.76 -102.66 -72.37 144.19 99.49 0.46 0.04 98.10 1.42 0.09 0.01 0.01 0.00 0.16 0.21 4 P C C 49.95 17.69 10.92 27.59 115.42 -105.82 -65.13 147.28 97.40 2.15 0.45 93.94 2.71 0.59 0.14 0.24 0.00 0.65 1.73 5 S C C 43.06 10.21 13.68 24.97 118.99 -124.81 -90.06 157.57 96.82 2.39 0.79 90.26 4.71 1.19 0.23 0.49 0.00 0.70 2.41 6 D C T 129.01 1.11 16.73 17.31 93.47 -116.75 -70.37 -20.08 97.85 0.47 1.68 6.31 41.46 50.15 0.17 1.45 0.00 0.25 0.22 7 Q C T 101.65 6.63 16.61 24.12 95.90 57.59 -80.61 -24.89 97.79 0.57 1.63 9.33 34.60 53.91 0.23 1.36 0.00 0.32 0.26 8 V C C 13.07 20.24 9.66 29.52 112.45 41.94 -121.17 90.93 96.04 3.06 0.91 65.83 28.34 1.49 0.38 0.42 0.00 0.79 2.76 9 P C C 83.27 4.99 20.32 26.23 95.29 169.76 -78.45 -22.80 99.30 0.38 0.31 71.13 27.05 1.13 0.15 0.13 0.00 0.13 0.28 10 D C S 64.41 5.45 23.98 29.58 136.75 24.97 -141.07 159.53 95.48 1.85 2.68 18.77 75.87 0.60 2.77 0.11 0.00 0.19 1.71 11 V H H 14.78 23.28 15.08 38.26 92.11 -110.29 -60.08 -37.30 1.47 0.00 98.52 0.10 0.17 1.10 98.34 0.29 0.00 0.00 0.00 12 D H H 73.19 10.01 21.57 31.72 91.57 54.29 -62.83 -40.52 0.78 0.00 99.22 0.06 0.04 0.62 99.00 0.27 0.00 0.00 0.00 13 A H H 32.69 5.74 22.62 29.38 91.39 50.32 -64.50 -41.52 0.19 0.00 99.81 0.02 0.01 0.13 99.61 0.23 0.00 0.00 0.00 14 F H H 7.13 22.48 18.78 41.46 91.54 50.36 -63.65 -44.23 0.10 0.00 99.90 0.01 0.00 0.07 99.82 0.10 0.00 0.00 0.00 15 L H H 6.32 23.25 17.98 41.26 91.50 49.21 -63.77 -41.53 0.19 0.00 99.81 0.01 0.01 0.15 99.70 0.13 0.00 0.00 0.00 16 N H H 88.79 5.65 22.35 28.62 91.69 52.05 -64.67 -38.67 1.00 0.00 99.00 0.03 0.05 0.95 98.56 0.41 0.00 0.00 0.00 17 K H H 84.99 11.13 20.38 31.52 91.63 54.31 -67.10 -31.86 5.11 0.00 94.89 0.06 0.16 5.42 93.87 0.48 0.01 0.00 0.00 18 I H H 18.18 20.72 16.49 37.01 97.67 43.74 -90.44 -11.50 35.13 0.05 64.82 0.41 2.06 32.59 64.16 0.68 0.03 0.01 0.05 19 G C T 35.61 9.03 22.15 30.69 105.68 -94.40 89.97 9.70 97.44 0.21 2.35 16.55 17.41 63.44 1.63 0.71 0.00 0.08 0.17 20 R C T 85.64 12.65 15.95 28.70 110.91 120.62 -92.37 118.38 90.11 0.73 9.15 22.34 33.75 34.25 2.32 6.42 0.00 0.27 0.64 21 N C C 96.82 4.88 22.35 27.59 95.25 -62.27 54.64 46.02 91.18 0.39 8.43 49.80 15.68 25.53 2.49 6.00 0.00 0.17 0.33 22 C H G 7.70 23.56 10.73 34.08 94.40 157.99 -72.36 -23.74 35.63 0.47 63.90 26.10 3.53 6.59 22.31 41.02 0.00 0.26 0.19 23 N H G 86.68 9.08 17.40 27.31 91.26 74.71 -63.65 -28.94 10.55 0.11 89.35 1.93 1.24 6.36 25.74 64.64 0.00 0.07 0.02 24 E H G 138.23 1.71 20.72 21.57 91.30 60.09 -71.01 -21.77 10.83 0.05 89.12 1.03 0.95 7.69 26.14 64.15 0.00 0.04 0.01 25 L H G 30.62 16.01 13.13 29.73 99.01 45.36 -103.91 4.39 23.09 0.17 76.74 4.01 2.78 15.15 20.38 57.50 0.00 0.09 0.09 26 K H G 60.22 17.97 11.98 29.10 92.63 101.91 -59.58 -37.43 10.49 0.10 89.41 2.21 1.10 6.24 38.15 52.21 0.00 0.07 0.03 27 D H G 121.92 0.96 19.36 18.71 90.53 57.57 -67.76 -24.78 6.69 0.02 93.29 0.44 0.39 5.40 34.13 59.61 0.00 0.02 0.00 28 T H G 69.38 7.10 17.20 25.19 92.81 55.00 -75.59 -24.96 8.06 0.03 91.91 0.57 0.55 6.21 35.25 57.39 0.00 0.02 0.01 29 F H G 19.68 21.22 10.25 30.65 102.29 42.90 -106.26 4.27 30.69 0.44 68.88 8.20 5.75 16.13 30.20 39.18 0.03 0.19 0.30 30 E C T 102.71 7.87 17.44 25.99 104.30 117.47 -65.94 8.30 94.43 0.34 5.23 15.47 6.94 72.37 3.18 1.63 0.00 0.15 0.26 31 N C T 120.48 3.49 17.65 21.97 96.99 18.27 -87.99 5.65 97.21 0.16 2.62 4.58 21.44 71.67 0.80 1.33 0.00 0.08 0.10 32 N C C 63.98 7.55 19.67 28.05 125.85 58.89 -130.91 135.03 97.33 1.28 1.39 70.18 25.69 1.02 0.95 0.37 0.00 0.27 1.51 33 W H H 32.41 22.54 13.38 35.39 93.42 -151.68 -63.31 -34.62 12.43 0.10 87.48 1.50 1.35 8.60 63.48 24.95 0.03 0.05 0.05 34 N H H 84.50 7.93 20.48 29.01 91.53 59.55 -63.43 -37.76 6.91 0.02 93.06 0.39 0.39 5.46 68.90 24.82 0.00 0.01 0.01 35 N H H 56.37 6.61 20.93 28.56 91.41 52.21 -65.97 -35.97 1.95 0.01 98.04 0.17 0.13 1.39 73.55 24.74 0.00 0.01 0.00 36 L H H 4.43 24.90 15.27 40.47 91.21 56.06 -64.25 -37.06 2.37 0.01 97.62 0.18 0.14 1.79 73.33 24.55 0.00 0.01 0.00 37 F H H 32.24 19.82 17.95 37.48 91.45 53.84 -76.70 -16.33 24.82 0.04 75.15 0.56 0.88 22.55 49.84 26.11 0.02 0.02 0.03 38 Q C T 115.72 3.68 22.59 26.53 96.19 55.88 -91.51 -6.42 57.62 0.14 42.24 2.52 3.18 51.26 27.46 15.31 0.03 0.06 0.17 39 W C C 47.94 18.39 11.67 29.78 118.85 102.62 -78.85 144.07 98.51 0.53 0.96 59.66 38.02 0.70 0.78 0.16 0.00 0.11 0.57 40 D C C 72.94 4.16 23.09 26.79 124.43 -131.10 -90.57 164.50 98.96 0.58 0.46 97.57 1.23 0.14 0.39 0.04 0.00 0.13 0.50 41 S H H 36.05 16.57 13.25 29.60 91.45 -104.36 -59.23 -37.36 2.67 0.01 97.32 0.48 0.58 1.43 97.24 0.26 0.00 0.00 0.00 42 K H H 132.33 1.81 20.36 21.27 91.74 54.41 -63.83 -40.80 0.95 0.00 99.05 0.09 0.09 0.67 98.89 0.25 0.00 0.00 0.00 43 I H H 56.35 6.94 18.02 26.45 91.92 48.93 -65.23 -41.34 0.41 0.00 99.58 0.06 0.03 0.26 99.38 0.26 0.00 0.00 0.00 44 L H H 4.93 23.01 11.22 34.36 91.61 50.74 -63.57 -42.78 0.34 0.00 99.66 0.04 0.03 0.21 99.47 0.25 0.00 0.00 0.00 45 K H H 104.35 7.93 16.67 25.53 91.57 50.75 -63.26 -40.33 0.91 0.00 99.09 0.07 0.05 0.69 98.64 0.55 0.00 0.00 0.00 46 E H H 147.48 1.18 18.36 18.56 90.54 53.89 -65.56 -27.84 7.70 0.00 92.30 0.14 0.20 7.62 91.36 0.66 0.01 0.00 0.00 47 K C T 81.06 11.25 14.04 26.18 93.37 54.60 -87.27 0.02 79.74 0.01 20.25 0.17 0.65 79.61 18.93 0.62 0.00 0.00 0.01 48 G C T 51.34 2.51 21.01 23.15 97.32 -100.48 89.17 10.93 99.83 0.00 0.16 0.56 0.58 98.77 0.07 0.02 0.00 0.00 0.00 49 V C C 11.87 23.10 8.73 30.86 115.99 146.19 -84.83 134.72 99.62 0.32 0.06 96.07 3.43 0.06 0.04 0.01 0.00 0.07 0.32 50 N C C 80.67 3.60 22.29 25.29 115.33 -110.19 -68.81 148.26 99.82 0.11 0.07 99.72 0.14 0.03 0.04 0.00 0.00 0.03 0.05 51 I H H 80.65 12.48 15.03 27.79 92.22 -116.28 -58.68 -39.00 1.81 0.00 98.18 0.42 0.21 0.97 97.75 0.64 0.00 0.00 0.00 52 Q H H 101.27 4.79 21.55 26.78 91.56 54.26 -64.35 -39.37 1.00 0.00 99.00 0.11 0.07 0.68 98.39 0.75 0.00 0.00 0.00 53 Q H H 38.57 15.24 19.76 34.82 92.38 49.14 -66.31 -40.15 0.43 0.00 99.57 0.07 0.03 0.26 98.88 0.76 0.00 0.00 0.00 54 R H H 29.05 20.25 18.87 38.41 91.74 53.19 -63.22 -42.48 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 55 K H H 85.96 8.56 24.57 33.28 91.62 51.62 -63.53 -41.58 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 56 Y H H 51.50 12.21 23.94 36.49 91.69 50.52 -63.83 -42.88 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 57 I H H 6.48 23.46 21.67 44.84 91.52 49.48 -63.83 -43.51 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 58 L H H 27.94 16.70 23.29 39.62 91.61 50.12 -64.10 -42.13 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 59 K H H 91.05 7.20 25.83 33.44 91.84 50.18 -64.85 -41.23 0.11 0.00 99.89 0.00 0.00 0.09 99.89 0.01 0.00 0.00 0.00 60 Q H H 22.14 17.00 21.44 38.45 91.92 50.40 -64.90 -42.26 0.16 0.00 99.84 0.01 0.00 0.13 99.84 0.02 0.00 0.00 0.00 61 V H H 17.35 17.97 20.56 38.45 91.71 50.54 -63.91 -42.60 0.24 0.00 99.76 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 62 H H H 70.50 7.16 22.05 29.78 91.94 50.49 -64.04 -41.66 0.43 0.00 99.57 0.04 0.02 0.31 99.48 0.15 0.00 0.00 0.00 63 N H H 38.58 7.58 18.48 27.97 91.86 50.04 -64.48 -41.46 0.95 0.00 99.05 0.08 0.05 0.71 98.72 0.43 0.00 0.00 0.00 64 Y H H 41.71 15.59 14.89 30.82 92.53 49.77 -65.11 -42.50 1.32 0.00 98.68 0.14 0.07 0.99 97.91 0.90 0.00 0.00 0.00 65 R H H 106.64 10.14 15.81 26.56 91.13 51.89 -65.92 -31.02 7.47 0.01 92.52 0.22 0.29 6.91 91.83 0.71 0.01 0.00 0.01 66 N C T 100.88 2.85 16.01 19.38 93.46 48.92 -90.86 4.36 86.85 0.01 13.13 0.25 0.89 85.66 12.73 0.45 0.00 0.00 0.02 67 N C T 126.33 2.57 13.86 17.94 93.09 -114.07 66.85 28.37 99.79 0.00 0.21 0.75 0.99 98.16 0.08 0.02 0.00 0.00 0.00 68 R C C 110.59 5.90 11.86 19.82 118.20 145.31 -93.64 137.36 99.77 0.21 0.02 94.52 5.21 0.05 0.01 0.00 0.00 0.06 0.15 69 P C C 98.26 2.63 17.77 20.83 113.02 -103.77 -66.06 142.31 99.74 0.22 0.04 98.83 0.85 0.12 0.01 0.02 0.00 0.12 0.06 70 I C C 56.07 18.24 9.39 26.39 115.60 -120.71 -86.12 137.87 93.58 6.05 0.37 91.24 2.17 0.44 0.09 0.22 0.00 4.33 1.51 71 H C C 103.85 5.92 18.05 24.93 124.57 -162.63 -119.03 141.01 80.95 18.54 0.51 75.26 4.43 0.75 0.17 0.36 0.00 15.96 3.07 72 E C C 116.23 7.85 14.94 24.12 115.75 -131.18 -90.96 131.31 76.37 23.16 0.47 73.76 2.28 0.42 0.16 0.29 0.00 20.24 2.85 73 I C C 54.80 13.22 10.80 24.73 119.50 -161.57 -108.64 131.99 87.39 12.12 0.49 85.11 2.17 0.36 0.17 0.25 0.00 10.31 1.63 74 K C C 147.82 2.37 16.07 19.25 113.09 -123.80 -82.10 133.29 94.64 4.78 0.58 92.16 2.26 0.57 0.17 0.31 0.00 3.80 0.73 75 L C C 93.45 10.18 10.44 21.20 111.52 -140.39 -87.00 129.22 96.78 2.28 0.94 88.54 6.72 1.74 0.34 0.49 0.00 1.44 0.73 76 G C C 38.03 5.57 12.33 19.41 125.73 -132.34 -91.20 173.61 96.78 2.15 1.07 82.78 11.89 2.23 0.38 0.61 0.00 1.32 0.78 77 K C C 157.78 1.78 13.50 16.00 112.93 -66.86 -86.01 138.58 93.73 4.43 1.84 85.72 6.31 1.61 0.91 0.82 0.00 2.38 2.25 78 K C C 118.55 7.94 8.87 18.00 111.60 -114.33 -80.01 131.60 90.93 4.34 4.74 81.77 5.96 3.14 2.61 1.94 0.00 2.50 2.08 79 S C C 74.53 3.66 11.27 16.29 111.08 -163.06 -95.61 132.62 87.58 3.43 9.00 63.26 15.96 8.40 5.07 3.80 0.00 1.87 1.63 80 F C C 148.30 3.17 11.21 15.66 101.68 -105.52 -81.49 -5.69 81.74 4.00 14.26 41.68 24.25 16.64 8.11 5.42 0.04 1.87 1.99 81 F C C 133.15 4.30 10.94 16.59 104.25 50.18 -86.80 21.96 80.12 2.32 17.57 39.13 20.60 20.98 11.84 5.10 0.02 0.99 1.33 82 G C C 38.56 5.65 12.22 19.16 104.90 28.00 -32.21 -32.42 73.31 1.27 25.42 31.92 20.90 21.02 20.42 4.44 0.02 0.49 0.78 83 G C H 32.55 5.54 13.06 20.05 108.75 23.28 58.90 -118.61 54.50 1.14 44.35 27.98 16.57 11.32 39.23 3.83 0.03 0.44 0.60 84 E H H 109.83 4.29 13.43 18.83 94.39 3.09 -66.24 -37.69 16.38 0.40 83.22 8.05 3.93 6.02 77.26 4.36 0.03 0.21 0.16 85 R H H 137.73 2.88 14.38 17.99 93.09 52.82 -66.14 -40.04 11.58 0.27 88.15 5.30 2.08 4.97 83.26 4.12 0.02 0.16 0.09 86 K H H 110.08 3.77 15.04 19.76 93.07 49.72 -67.28 -38.84 9.91 0.19 89.90 5.45 1.55 3.62 86.18 3.02 0.01 0.11 0.06 87 R H H 115.95 5.36 15.00 21.54 92.72 52.05 -64.62 -41.13 3.84 0.05 96.12 1.97 0.61 1.33 95.31 0.74 0.00 0.02 0.01 88 K H H 115.49 3.33 16.77 20.66 92.42 49.90 -65.64 -40.17 2.34 0.03 97.63 1.13 0.30 0.87 97.31 0.37 0.00 0.01 0.00 89 A H H 50.25 4.04 16.57 21.48 92.33 50.86 -65.08 -41.28 1.41 0.01 98.57 0.58 0.16 0.56 98.47 0.22 0.00 0.01 0.00 90 F H H 90.87 4.66 16.97 22.61 92.48 49.42 -65.25 -42.07 0.82 0.01 99.17 0.28 0.09 0.35 99.17 0.11 0.00 0.00 0.00 91 T H H 58.40 4.87 16.57 22.60 92.16 50.15 -64.21 -41.86 0.51 0.00 99.48 0.13 0.04 0.24 99.50 0.08 0.00 0.00 0.00 92 A H H 46.44 3.64 15.54 20.39 91.89 51.09 -63.65 -41.81 0.46 0.00 99.54 0.09 0.03 0.24 99.54 0.09 0.00 0.00 0.00 93 K H H 113.51 2.48 16.20 18.87 92.21 50.24 -64.99 -40.58 0.64 0.00 99.36 0.12 0.05 0.36 99.32 0.15 0.00 0.00 0.00 94 W H H 117.85 4.17 13.24 18.72 92.20 50.40 -65.30 -41.24 1.04 0.00 98.95 0.18 0.08 0.65 98.81 0.27 0.00 0.00 0.00 95 K H H 123.05 2.58 12.94 16.48 92.32 50.78 -65.47 -38.74 3.00 0.01 96.99 0.41 0.23 2.09 96.69 0.57 0.00 0.00 0.00 96 A H H 78.16 1.77 10.98 13.58 92.86 52.14 -68.40 -30.61 13.86 0.02 86.11 1.21 0.91 10.99 86.02 0.84 0.01 0.01 0.01 97 E H H 137.73 1.75 9.98 12.66 95.78 54.85 -80.06 -13.44 46.27 0.10 53.63 12.92 1.28 29.63 55.06 0.99 0.00 0.03 0.08 98 N C C 115.68 3.11 11.30 16.09 102.42 81.21 -68.17 47.68 99.87 0.02 0.11 98.92 0.30 0.66 0.10 0.01 0.00 0.01 0.00