# 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 114.47 5.96 11.63 18.91 112.43 -155.33 -93.48 126.91 99.83 0.14 0.03 99.78 0.09 0.04 0.01 0.00 0.00 0.06 0.02 1 A C C 75.64 4.06 9.19 15.02 111.28 -136.49 -85.28 132.88 87.53 3.87 8.60 82.17 1.35 5.18 5.04 2.33 0.00 2.43 1.51 2 A C C 81.55 3.08 8.31 13.18 110.07 -128.48 -85.54 123.17 80.94 5.37 13.69 53.84 16.07 11.21 7.74 5.83 0.01 3.57 1.73 3 T C C 98.18 2.92 9.29 13.96 112.64 -130.27 -90.01 124.12 74.50 8.20 17.30 53.61 12.72 8.20 9.73 7.63 0.01 5.94 2.15 4 K C C 140.19 3.65 9.17 14.74 113.70 -129.36 -86.94 131.34 74.58 8.31 17.11 56.77 9.64 7.85 9.83 7.44 0.01 5.87 2.59 5 R C C 156.50 3.87 9.27 14.97 111.48 -148.76 -90.88 126.74 76.94 6.77 16.30 51.62 15.14 10.19 9.51 6.84 0.01 4.11 2.57 6 E C C 134.69 3.11 11.07 15.90 115.30 -116.30 -91.70 135.25 81.77 4.90 13.33 50.21 22.72 9.19 7.71 5.36 0.01 2.62 2.19 7 A C C 62.98 6.98 10.38 18.85 116.17 -107.41 -77.82 146.28 89.20 2.54 8.26 56.23 25.56 7.83 4.11 3.84 0.00 1.39 1.04 8 P C C 87.26 5.47 12.92 19.90 110.96 -104.58 -70.77 146.50 88.76 3.37 7.87 58.44 22.79 7.80 3.89 3.76 0.00 1.90 1.41 9 V C C 87.02 7.17 12.92 21.54 117.37 -111.19 -88.40 137.09 87.05 7.22 5.73 59.60 24.25 3.30 3.32 2.36 0.00 4.26 2.91 10 P C C 60.29 11.14 12.08 24.04 112.88 -106.62 -66.73 145.98 82.55 8.20 9.25 67.67 7.44 7.10 3.30 6.00 0.00 6.21 2.28 11 R C C 155.00 5.02 15.10 21.48 102.19 -141.28 -88.14 26.44 72.14 15.08 12.79 39.21 17.36 15.83 3.39 9.29 0.04 9.83 5.05 12 T C T 69.10 8.01 14.53 23.46 116.30 93.93 -108.45 135.03 72.90 15.00 12.09 25.18 22.81 26.50 2.69 8.46 0.11 10.09 4.15 13 G C C 39.96 7.65 16.07 24.42 105.33 -102.06 82.20 4.59 78.17 13.72 8.11 31.54 24.32 23.77 1.87 5.76 0.03 10.40 2.30 14 I C C 68.97 10.94 14.04 25.84 119.34 129.16 -101.46 138.08 62.42 30.90 6.68 41.17 14.45 6.42 3.42 3.67 0.11 21.88 8.87 15 I C C 74.15 9.33 14.76 25.40 117.79 -139.60 -98.36 132.12 50.50 41.95 7.56 32.61 11.26 6.50 4.29 3.86 0.27 28.85 12.36 16 A C E 51.42 9.49 12.87 23.49 120.77 -157.62 -107.21 134.48 54.50 33.33 12.17 20.69 17.16 19.79 4.48 7.16 0.54 22.65 7.54 17 G C T 45.84 4.33 15.37 20.65 112.90 16.22 80.91 -137.24 72.88 11.52 15.60 16.06 24.56 33.91 2.48 11.81 0.09 8.34 2.74 18 F C T 142.61 4.25 13.81 19.07 97.29 -12.14 -79.82 -22.44 76.51 5.36 18.14 10.01 22.08 45.07 2.67 14.68 0.06 3.56 1.87 19 N C T 79.42 8.18 11.44 20.69 106.39 51.92 -104.13 61.97 70.28 13.14 16.57 15.14 20.49 36.18 2.57 13.19 0.11 8.73 3.58 20 K C T 139.18 4.32 12.69 18.96 110.07 -123.82 -64.87 126.77 77.70 14.73 7.56 11.20 13.46 53.36 1.55 5.93 0.04 11.37 3.09 21 G C T 50.67 4.01 15.50 20.41 97.37 18.08 85.05 -2.03 80.77 15.62 3.61 15.06 16.45 49.88 0.54 3.10 0.01 13.70 1.27 22 Y C C 93.54 10.08 12.51 23.81 117.34 125.90 -90.85 137.23 61.15 36.95 1.90 46.29 11.23 3.16 0.71 1.42 0.01 31.44 5.77 23 K E E 115.97 6.31 16.78 24.35 117.79 -141.23 -95.95 134.29 35.73 63.06 1.21 29.44 3.03 0.82 0.95 0.52 0.00 44.20 21.04 24 T C C 45.73 14.08 11.83 26.13 117.27 -148.61 -95.29 137.09 64.26 33.81 1.94 54.18 7.07 1.95 1.17 1.02 0.00 29.37 5.25 25 T C C 58.89 8.19 13.94 23.46 118.33 -152.23 -103.17 144.13 75.44 20.94 3.63 61.02 10.11 3.38 2.11 1.82 0.00 16.42 5.15 26 R C S 158.09 4.32 13.46 19.19 98.64 -125.88 -75.43 -17.85 84.89 5.61 9.50 27.12 34.70 24.35 3.12 5.39 0.02 3.75 1.53 27 R C C 156.02 3.14 12.74 17.18 109.47 61.10 -90.59 105.49 85.72 4.70 9.59 33.66 27.59 25.53 2.75 6.07 0.01 2.89 1.49 28 A C C 61.40 8.26 10.16 19.54 112.50 -133.25 -84.22 131.84 85.08 6.35 8.56 56.52 18.64 9.77 2.79 5.81 0.00 3.91 2.56 29 R C C 132.38 6.07 11.43 19.03 117.69 -150.44 -94.42 139.63 89.57 6.60 3.84 61.26 23.29 4.74 1.45 2.32 0.00 3.44 3.50 30 R C C 163.52 2.56 14.35 18.25 116.13 -106.17 -81.46 143.14 97.60 2.04 0.36 73.23 23.83 0.78 0.15 0.19 0.00 1.06 0.78 31 P C C 69.57 10.05 9.76 20.78 114.30 -104.04 -65.07 146.80 97.45 1.83 0.72 87.65 8.28 1.46 0.25 0.40 0.00 0.87 1.09 32 S C C 52.35 5.78 11.06 18.62 117.68 -124.58 -87.82 148.04 97.47 1.52 1.01 88.15 7.92 1.11 0.46 0.46 0.00 0.47 1.43 33 S C G 85.60 2.35 11.17 14.98 93.64 -110.48 -61.74 -30.48 54.20 0.71 45.09 14.33 9.68 30.21 10.34 34.62 0.01 0.35 0.44 34 N C G 120.05 1.85 11.47 14.19 96.08 56.71 -78.94 -13.97 52.53 0.51 46.96 8.32 8.69 34.48 12.76 35.11 0.02 0.25 0.37 35 D H G 76.26 7.56 10.33 19.13 101.45 59.20 -91.47 10.88 48.69 1.45 49.86 19.78 11.56 18.53 14.16 34.46 0.02 0.69 0.80 36 R C C 126.26 7.22 11.55 20.03 104.54 113.72 -83.98 12.33 65.03 2.08 32.89 38.92 11.74 14.33 17.72 14.98 0.01 0.90 1.39 37 Y C C 148.35 4.25 13.98 19.33 103.79 103.67 -90.14 10.83 72.29 3.02 24.69 35.95 15.78 21.28 14.14 9.66 0.03 1.32 1.84 38 A C C 51.89 8.64 12.20 21.93 114.28 89.00 -90.34 143.15 80.42 2.09 17.49 37.37 24.08 19.53 9.34 7.46 0.01 0.90 1.31 39 L C C 98.14 5.60 14.39 21.22 115.00 -109.90 -83.77 135.07 88.36 2.67 8.97 62.63 20.63 4.98 6.16 2.85 0.00 1.14 1.61 40 P C C 66.33 10.61 11.31 22.64 109.70 -110.98 -70.53 140.27 90.16 2.82 7.02 73.70 11.89 4.27 5.05 2.14 0.00 1.29 1.65 41 H C C 92.58 5.48 13.47 20.33 119.07 -138.87 -88.59 160.01 90.27 3.25 6.48 76.77 11.07 1.64 6.32 0.82 0.00 0.93 2.44 42 K H H 152.03 1.74 14.07 16.44 92.43 -107.19 -60.64 -37.22 6.11 0.05 93.84 1.40 1.38 3.39 92.27 1.51 0.01 0.02 0.02 43 K H H 120.92 3.32 15.31 19.46 92.28 52.33 -65.70 -39.66 4.98 0.05 94.97 1.05 0.62 3.29 93.18 1.80 0.01 0.02 0.01 44 L H H 37.89 13.22 12.80 26.77 92.82 49.56 -66.77 -40.19 2.55 0.05 97.40 0.81 0.32 1.40 95.86 1.57 0.00 0.03 0.01 45 R H H 117.51 6.44 16.82 24.33 91.75 52.73 -63.45 -40.99 0.85 0.01 99.14 0.27 0.10 0.38 98.93 0.31 0.00 0.01 0.00 46 A H H 60.55 2.62 19.49 21.58 91.88 50.55 -64.54 -41.73 0.73 0.01 99.26 0.19 0.06 0.38 99.12 0.23 0.00 0.00 0.00 47 V H H 49.39 9.56 18.10 28.58 92.14 48.92 -65.28 -41.85 0.45 0.00 99.55 0.09 0.03 0.25 99.46 0.16 0.00 0.00 0.00 48 K H H 60.71 14.63 16.67 31.10 91.73 51.52 -63.44 -41.19 0.40 0.00 99.59 0.06 0.03 0.23 99.56 0.11 0.00 0.00 0.00 49 A H H 52.79 4.50 20.14 25.11 91.77 51.43 -64.22 -40.50 0.90 0.01 99.10 0.12 0.06 0.58 99.05 0.18 0.00 0.00 0.00 50 I H H 76.46 4.49 20.11 24.88 91.97 49.61 -64.81 -42.20 1.50 0.02 98.49 0.19 0.14 1.06 98.37 0.23 0.01 0.01 0.00 51 I H H 27.85 13.92 15.10 30.11 92.26 49.36 -65.22 -42.05 2.79 0.06 97.15 0.43 0.38 1.91 96.91 0.31 0.02 0.02 0.02 52 S H H 40.16 10.75 14.64 26.28 92.40 50.83 -64.66 -40.26 4.62 0.08 95.30 0.75 0.52 3.31 94.69 0.65 0.03 0.03 0.02 53 D H H 109.13 1.63 17.60 18.76 94.29 45.90 -70.98 -37.58 8.25 0.05 91.70 0.41 0.61 7.48 90.67 0.73 0.05 0.02 0.02 54 L H H 95.54 5.12 16.15 21.99 100.11 36.08 -86.38 -38.42 21.73 0.06 78.21 0.39 1.49 20.15 76.99 0.82 0.10 0.02 0.05 55 V H H 58.92 10.05 13.76 24.75 101.80 23.43 -105.69 -13.74 34.16 0.30 65.53 1.62 7.63 24.68 64.75 0.86 0.15 0.08 0.23 56 G C C 45.88 3.66 17.86 22.10 99.23 -116.17 81.92 7.30 98.87 0.47 0.66 50.37 38.15 10.40 0.25 0.37 0.00 0.21 0.25 57 F C C 62.81 12.76 12.51 26.09 124.66 111.17 -107.96 148.00 96.34 2.40 1.26 70.85 23.10 1.88 0.80 0.41 0.00 0.73 2.23 58 S C C 36.69 7.91 17.90 27.19 120.23 -121.02 -77.93 157.98 90.58 0.40 9.02 77.18 10.03 2.11 9.63 0.64 0.00 0.12 0.30 59 P H H 59.77 9.27 17.83 28.35 92.30 -105.73 -60.35 -35.81 19.08 0.10 80.82 3.30 3.01 13.04 77.54 2.97 0.04 0.04 0.06 60 M H H 60.41 12.95 18.71 31.72 92.06 54.20 -65.08 -36.80 12.72 0.10 87.18 2.22 1.54 9.04 83.65 3.43 0.04 0.04 0.05 61 E H H 58.19 13.83 18.66 32.30 92.50 52.29 -65.87 -39.58 4.63 0.04 95.33 1.67 0.63 2.34 92.86 2.46 0.00 0.02 0.02 62 R H H 109.28 7.72 21.53 29.53 92.27 51.48 -65.02 -41.36 1.12 0.01 98.88 0.35 0.12 0.53 98.44 0.56 0.00 0.00 0.00 63 R H H 92.02 9.84 21.88 31.76 92.07 50.33 -64.95 -41.05 0.87 0.00 99.12 0.19 0.08 0.49 98.74 0.49 0.00 0.00 0.00 64 V H H 18.21 18.34 18.66 36.96 92.18 50.11 -64.72 -42.27 0.73 0.00 99.27 0.12 0.05 0.44 98.93 0.46 0.00 0.00 0.00 65 Q H H 57.17 10.64 21.42 32.47 91.66 51.37 -63.27 -42.27 0.51 0.00 99.48 0.06 0.03 0.33 99.16 0.41 0.00 0.00 0.00 66 E H H 75.83 5.72 22.76 28.74 91.61 50.64 -64.16 -41.17 0.91 0.00 99.09 0.07 0.05 0.71 98.38 0.79 0.00 0.00 0.00 67 L H H 27.58 14.13 17.94 32.92 91.77 50.66 -64.76 -41.42 1.20 0.00 98.80 0.08 0.07 0.95 97.35 1.55 0.00 0.00 0.00 68 L H H 39.26 15.07 16.24 31.43 92.01 51.01 -65.39 -38.73 3.54 0.01 96.44 0.28 0.25 2.88 93.98 2.60 0.01 0.00 0.00 69 R H H 150.45 3.31 19.77 23.45 92.32 49.29 -68.41 -35.71 13.35 0.03 86.62 0.62 0.84 11.92 84.58 1.99 0.02 0.01 0.02 70 V H H 77.37 5.45 16.48 22.79 97.63 41.32 -90.84 -19.09 35.29 0.23 64.48 2.56 5.33 27.22 62.91 1.64 0.10 0.07 0.17 71 G C C 29.24 13.26 11.24 24.20 102.84 -120.58 34.27 28.69 88.33 0.72 10.94 42.42 14.00 32.28 8.05 2.48 0.00 0.27 0.51 72 K C C 156.33 1.99 17.13 19.36 97.04 125.04 -79.68 -6.11 93.84 0.76 5.40 39.76 34.98 19.41 2.67 2.36 0.00 0.29 0.53 73 D C C 54.31 11.08 12.09 24.21 108.72 93.72 -91.82 107.61 94.19 0.79 5.03 75.75 13.78 4.63 3.47 1.46 0.00 0.26 0.65 74 K H H 133.88 4.67 15.76 22.41 94.29 -169.59 -67.64 -30.09 13.31 0.08 86.61 5.46 3.40 4.32 85.60 1.15 0.01 0.02 0.04 75 R H H 129.05 3.43 20.21 23.69 92.16 57.78 -64.69 -40.66 3.75 0.02 96.24 0.74 0.47 2.32 95.30 1.15 0.01 0.01 0.01 76 A H H 11.89 15.91 16.11 33.03 91.88 50.36 -64.38 -42.16 1.75 0.01 98.23 0.49 0.18 0.97 97.04 1.31 0.00 0.01 0.00 77 L H H 25.08 16.06 16.70 33.21 91.44 51.30 -62.98 -41.91 0.75 0.01 99.24 0.20 0.08 0.38 98.69 0.64 0.00 0.00 0.00 78 K H H 110.98 2.78 24.02 25.88 91.65 50.59 -63.96 -42.20 0.68 0.01 99.31 0.14 0.06 0.38 99.18 0.23 0.00 0.00 0.00 79 F H H 61.44 7.44 21.12 29.59 91.71 49.47 -64.06 -42.74 0.73 0.01 99.26 0.11 0.06 0.45 99.13 0.24 0.00 0.00 0.00 80 C H H 6.50 19.79 14.25 34.83 91.41 50.27 -63.72 -42.51 0.89 0.01 99.10 0.14 0.09 0.53 99.08 0.15 0.00 0.00 0.00 81 K H H 87.04 10.25 16.65 27.45 91.72 51.18 -63.74 -40.43 0.96 0.00 99.03 0.11 0.08 0.62 99.02 0.16 0.00 0.00 0.00 82 K H H 151.50 1.19 19.16 18.96 92.26 49.25 -66.51 -38.97 1.58 0.00 98.41 0.08 0.09 1.32 98.27 0.24 0.00 0.00 0.00 83 R H H 126.11 5.77 16.98 23.63 97.09 39.24 -79.91 -38.24 4.63 0.01 95.36 0.10 0.23 4.35 95.00 0.29 0.01 0.00 0.00 84 L H H 50.26 12.32 12.44 25.44 101.22 26.01 -104.42 -15.95 13.32 0.04 86.64 0.66 1.96 10.29 86.75 0.28 0.03 0.01 0.03 85 G C S 51.86 2.18 17.79 19.91 98.39 -123.82 79.11 -0.05 99.25 0.22 0.53 37.43 54.75 7.13 0.27 0.19 0.00 0.08 0.14 86 S C S 43.94 4.11 18.55 23.46 139.47 30.94 -151.79 164.11 97.76 1.26 0.97 39.22 57.70 0.71 0.90 0.12 0.00 0.21 1.13 87 I H H 83.00 11.57 13.49 25.60 91.61 -106.60 -61.90 -36.37 5.10 0.02 94.88 0.93 2.30 1.78 94.66 0.32 0.00 0.00 0.01 88 K H H 138.55 1.49 20.41 20.58 91.57 54.03 -63.12 -42.17 1.44 0.00 98.56 0.16 0.16 0.96 98.42 0.30 0.00 0.00 0.00 89 A H H 35.08 5.61 18.47 25.63 91.44 48.39 -64.62 -41.03 0.53 0.00 99.46 0.08 0.04 0.32 99.26 0.29 0.00 0.00 0.00 90 A H H 6.18 18.44 12.60 32.01 91.01 52.09 -62.32 -42.99 0.21 0.00 99.79 0.03 0.01 0.11 99.75 0.10 0.00 0.00 0.00 91 K H H 106.51 5.27 20.87 26.70 91.63 50.68 -63.76 -41.29 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 92 K H H 124.17 1.62 22.65 22.16 91.65 49.36 -64.70 -41.41 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 93 R H H 78.30 11.71 18.53 30.47 92.20 49.12 -65.88 -40.54 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 94 R H H 72.10 15.23 17.04 31.82 91.48 52.87 -62.69 -41.71 0.12 0.00 99.88 0.01 0.00 0.06 99.90 0.01 0.00 0.00 0.00 95 A H H 58.34 2.37 22.29 23.34 91.12 50.68 -63.38 -41.95 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 96 K H H 104.92 3.66 21.98 25.36 91.71 49.22 -64.88 -41.41 0.16 0.00 99.84 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 97 V H H 18.41 17.04 16.07 33.72 92.00 49.73 -64.60 -41.92 0.14 0.00 99.86 0.02 0.00 0.07 99.89 0.02 0.00 0.00 0.00 98 E H H 81.99 7.21 20.33 28.22 91.39 51.58 -63.12 -41.63 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 99 E H H 105.89 1.97 22.65 22.75 91.71 49.87 -64.42 -41.26 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 100 A H H 24.97 9.25 18.14 29.16 91.68 50.65 -64.00 -42.23 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 101 L H H 38.66 12.47 16.51 29.95 91.84 50.03 -64.24 -41.49 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 102 R H H 128.78 2.48 19.44 21.49 91.67 50.64 -63.99 -41.35 0.30 0.00 99.70 0.03 0.01 0.20 99.70 0.06 0.00 0.00 0.00 103 Q H H 90.62 2.59 17.30 19.81 91.87 50.05 -65.10 -40.55 0.80 0.00 99.20 0.08 0.05 0.55 99.18 0.14 0.00 0.00 0.00 104 Q H H 58.80 8.26 12.61 22.60 92.27 51.01 -65.54 -39.44 2.48 0.00 97.52 0.33 0.20 1.66 97.42 0.38 0.00 0.00 0.00 105 T H H 74.11 4.51 12.08 18.15 92.53 51.77 -66.83 -36.55 8.62 0.02 91.35 1.30 0.81 5.91 91.13 0.82 0.00 0.01 0.01 106 K H H 154.50 0.98 12.04 12.76 93.48 53.11 -70.07 -29.02 25.80 0.16 74.03 4.78 3.00 17.61 73.19 1.26 0.02 0.06 0.10 107 K C H 144.35 1.96 9.95 12.97 97.75 56.50 -80.62 -11.56 52.28 0.28 47.44 24.93 1.67 23.41 48.60 1.12 0.00 0.09 0.18 108 K C C 144.93 3.44 11.00 16.12 102.42 89.72 -69.69 45.67 99.89 0.02 0.09 99.60 0.11 0.20 0.07 0.00 0.00 0.01 0.00