# 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 106.41 5.07 12.40 18.75 108.96 -151.46 -84.42 116.56 99.63 0.13 0.24 99.47 0.13 0.12 0.18 0.01 0.00 0.06 0.02 1 I C C 100.68 4.01 10.58 16.06 102.66 89.39 -76.40 -23.63 61.30 1.04 37.66 56.80 1.17 3.52 36.38 1.28 0.00 0.46 0.39 2 R H H 142.40 3.21 12.21 16.46 96.33 60.13 -67.72 -39.60 35.34 0.57 64.09 26.99 4.05 4.84 61.54 2.12 0.00 0.26 0.20 3 E H H 101.78 5.90 12.49 19.69 93.91 53.95 -66.24 -39.01 17.06 0.32 82.62 10.91 2.51 4.45 78.69 3.15 0.00 0.17 0.10 4 E H H 104.03 3.75 14.59 19.35 92.45 51.89 -65.66 -39.15 9.83 0.21 89.96 5.36 1.55 3.47 85.77 3.65 0.01 0.13 0.07 5 R H H 117.97 4.39 16.17 21.49 92.41 51.49 -65.81 -39.65 7.87 0.21 91.91 3.78 1.22 3.35 87.52 3.92 0.01 0.14 0.07 6 L H H 48.53 11.91 15.03 27.81 92.48 51.44 -65.45 -40.11 6.63 0.32 93.05 2.74 0.94 3.28 87.98 4.72 0.02 0.24 0.08 7 L H H 59.64 10.76 16.52 28.08 92.05 52.62 -65.42 -36.56 7.03 0.92 92.05 2.61 0.97 3.62 85.39 6.40 0.02 0.85 0.14 8 K H H 113.09 4.64 20.45 25.59 92.38 55.47 -66.03 -35.36 12.63 1.81 85.56 3.42 1.74 7.65 76.87 8.36 0.09 1.59 0.28 9 V H H 42.82 13.31 18.13 31.74 93.73 52.71 -69.27 -33.58 17.79 3.60 78.61 4.32 2.74 11.35 69.82 7.76 0.28 3.13 0.60 10 L H H 35.51 19.08 17.11 35.56 97.53 55.14 -80.65 -11.11 22.29 25.28 52.43 8.56 4.59 10.69 47.79 4.90 0.49 18.81 4.16 11 R E E 112.47 10.51 20.49 30.79 101.11 85.42 -86.60 -3.11 36.09 47.95 15.96 21.24 8.32 6.84 15.86 2.62 0.33 34.44 10.36 12 A C C 43.88 11.73 18.69 30.75 123.44 109.93 -114.91 139.30 68.00 31.02 0.98 44.72 22.68 1.17 0.68 0.37 0.00 28.28 2.08 13 P C C 56.22 13.33 17.51 30.78 115.11 -104.89 -67.19 148.27 71.69 27.23 1.08 63.24 6.12 1.27 0.57 0.50 0.00 25.86 2.43 14 H C C 87.54 12.47 18.43 30.83 110.98 -134.02 -88.04 121.47 71.71 27.03 1.26 56.98 11.96 1.78 0.72 0.70 0.01 18.44 9.41 15 V C C 45.65 17.03 13.12 29.59 122.38 -147.00 -106.63 135.96 84.36 14.62 1.02 72.18 11.29 1.01 0.68 0.42 0.00 9.36 5.06 16 S C C 46.75 6.28 16.35 23.78 124.78 -142.33 -87.48 170.69 95.48 3.29 1.23 88.23 7.01 0.51 1.16 0.19 0.00 1.87 1.02 17 E H H 149.03 1.78 15.18 17.67 91.04 -97.99 -58.89 -37.16 10.88 0.10 89.02 1.95 2.91 6.62 86.73 1.65 0.04 0.04 0.05 18 K H H 132.11 2.40 17.43 20.07 91.86 52.78 -65.11 -39.21 9.44 0.10 90.47 1.59 1.48 6.73 88.11 1.95 0.04 0.05 0.04 19 A H H 14.61 17.22 12.61 30.01 92.23 50.55 -65.89 -40.28 5.70 0.13 94.17 2.12 1.00 2.93 91.71 2.11 0.02 0.08 0.04 20 S H H 40.79 9.66 16.44 27.15 92.20 52.74 -63.87 -41.05 4.17 0.13 95.70 1.84 0.70 1.82 94.30 1.23 0.01 0.07 0.03 21 T H H 75.42 1.89 20.80 20.98 92.16 50.13 -64.56 -41.20 4.67 0.18 95.15 1.72 0.76 2.41 93.90 1.04 0.02 0.10 0.05 22 A H H 27.63 8.30 15.80 26.16 92.15 51.06 -64.99 -40.99 4.33 0.19 95.48 1.52 0.72 2.28 94.27 1.04 0.02 0.10 0.05 23 M H H 44.02 15.91 12.42 28.16 92.75 51.56 -65.16 -40.44 5.03 0.16 94.81 1.67 0.73 2.79 93.20 1.46 0.02 0.09 0.04 24 E H H 132.52 2.76 16.70 20.14 92.94 49.29 -67.04 -38.21 7.01 0.10 92.89 1.38 0.77 4.85 91.30 1.59 0.03 0.06 0.03 25 K H H 153.45 1.11 16.74 16.62 95.38 43.32 -75.07 -33.95 13.33 0.10 86.58 1.41 1.54 10.40 85.15 1.35 0.05 0.04 0.05 26 S H H 56.06 6.74 14.61 22.47 101.43 27.49 -104.50 -2.07 37.32 0.19 62.49 4.10 6.83 25.57 61.97 1.28 0.06 0.06 0.14 27 N C T 90.36 7.85 17.32 26.36 94.67 -122.15 56.70 40.26 99.04 0.55 0.41 28.15 10.58 60.43 0.11 0.21 0.00 0.45 0.07 28 T C E 23.78 15.29 17.92 33.94 127.09 138.63 -115.08 149.69 50.05 49.92 0.03 44.65 3.75 0.13 0.01 0.03 0.00 50.92 0.51 29 I E E 15.33 19.79 21.53 41.46 116.59 -133.89 -99.02 129.08 7.59 92.41 0.01 7.69 0.16 0.01 0.00 0.00 0.00 91.98 0.16 30 V E E 22.16 16.71 25.00 41.71 118.85 -158.62 -109.38 128.30 2.33 97.67 0.00 2.38 0.03 0.00 0.00 0.00 0.00 97.56 0.04 31 L E E 5.86 24.04 21.10 45.07 123.57 -169.00 -116.57 134.37 0.54 99.46 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 32 K E E 66.86 12.15 27.25 39.69 116.12 -149.11 -102.14 126.66 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.72 0.01 33 V E E 5.48 24.37 17.20 41.83 131.26 178.11 -128.44 150.15 1.97 98.02 0.00 2.02 0.03 0.00 0.00 0.00 0.00 97.79 0.16 34 A E E 23.06 10.92 21.17 33.53 113.23 -102.18 -67.59 141.40 43.47 56.50 0.04 43.31 0.72 0.10 0.01 0.03 0.00 55.10 0.73 35 K C T 105.32 11.90 16.45 28.79 91.35 -125.66 -62.68 -27.95 98.68 0.84 0.48 0.60 4.59 93.75 0.02 0.42 0.00 0.54 0.09 36 D C T 114.43 1.54 21.25 21.79 93.83 56.59 -88.92 0.99 99.40 0.26 0.35 0.60 3.94 94.90 0.01 0.34 0.00 0.17 0.02 37 A C C 9.63 21.59 9.19 30.35 116.28 124.30 -69.42 141.65 99.13 0.78 0.09 78.63 20.45 0.17 0.02 0.06 0.00 0.34 0.33 38 T C C 67.55 3.11 24.25 26.02 124.22 -137.90 -90.63 164.13 87.70 12.18 0.12 87.65 0.56 0.02 0.09 0.01 0.00 1.33 10.34 39 K H H 92.37 15.02 14.40 28.97 91.04 -105.07 -57.77 -38.66 0.66 0.00 99.33 0.08 0.07 0.39 99.37 0.09 0.00 0.00 0.00 40 A H H 69.93 2.32 21.82 23.28 91.49 53.11 -63.81 -40.50 0.21 0.00 99.79 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 41 E H H 77.93 8.88 20.97 30.24 91.90 48.78 -65.70 -40.50 0.06 0.00 99.94 0.01 0.00 0.03 99.91 0.04 0.00 0.00 0.00 42 I H H 1.92 26.90 15.26 43.01 90.97 49.50 -63.56 -43.81 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 43 K H H 79.83 13.77 22.17 34.96 91.26 51.15 -61.78 -42.14 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 44 A H H 52.63 2.87 25.64 27.57 91.53 50.25 -63.44 -42.39 0.05 0.00 99.95 0.00 0.00 0.04 99.96 0.00 0.00 0.00 0.00 45 A H H 9.58 15.96 20.91 37.69 91.47 50.07 -64.02 -42.85 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 46 V H H 1.81 26.72 16.97 44.35 91.35 49.21 -64.30 -42.79 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 47 Q H H 80.97 10.21 20.22 30.53 91.82 51.46 -63.40 -40.42 0.10 0.00 99.90 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 48 K H H 128.82 2.95 22.31 25.04 92.24 49.43 -66.63 -39.30 0.47 0.00 99.53 0.02 0.01 0.47 99.42 0.08 0.00 0.00 0.00 49 L H H 35.22 17.01 17.54 34.08 96.20 40.93 -79.54 -37.35 2.01 0.00 97.99 0.03 0.06 1.98 97.84 0.09 0.00 0.00 0.00 50 F H H 22.75 20.25 14.88 34.96 103.96 25.42 -111.20 0.93 26.07 0.07 73.85 1.77 3.48 19.32 74.95 0.37 0.02 0.02 0.06 51 E C T 141.73 2.51 21.98 24.63 95.14 -124.96 54.26 45.53 99.59 0.14 0.27 22.41 11.28 65.99 0.12 0.08 0.00 0.08 0.03 52 V C C 17.29 20.01 11.82 31.83 130.33 133.63 -123.75 150.50 92.89 7.08 0.04 77.83 14.83 0.22 0.01 0.02 0.00 6.72 0.36 53 E C C 112.43 3.38 24.83 27.92 111.58 -125.12 -87.40 127.65 84.39 15.59 0.02 84.46 0.56 0.05 0.00 0.01 0.00 14.68 0.24 54 V E E 16.41 23.89 10.60 33.91 113.58 -145.32 -89.26 123.88 29.94 70.03 0.03 31.43 0.21 0.02 0.01 0.02 0.00 67.41 0.91 55 E E E 111.14 3.50 21.86 25.60 98.68 -171.22 -89.54 -34.27 30.59 69.38 0.03 15.21 15.41 0.26 0.00 0.03 0.00 68.95 0.15 56 V E E 66.30 5.65 23.38 29.72 139.15 1.52 -153.28 151.23 5.89 94.09 0.01 4.01 1.32 0.10 0.00 0.01 0.00 94.50 0.04 57 V E E 23.27 23.54 12.48 35.17 125.67 -166.51 -131.85 132.33 2.33 97.66 0.00 2.11 0.08 0.00 0.00 0.00 0.00 97.79 0.03 58 N E E 67.43 6.41 25.19 31.75 126.11 -174.68 -125.97 141.09 2.55 97.45 0.00 2.19 0.10 0.00 0.00 0.00 0.00 97.69 0.02 59 T E E 38.22 20.13 14.28 33.32 124.88 -158.88 -117.88 136.38 2.26 97.74 0.00 2.09 0.05 0.00 0.00 0.00 0.00 97.83 0.02 60 L E E 57.83 9.41 19.91 30.41 124.00 -166.37 -121.12 136.02 1.21 98.79 0.00 1.09 0.04 0.00 0.00 0.00 0.00 98.81 0.06 61 V E E 66.58 11.18 16.74 28.81 116.22 -145.69 -102.14 124.76 2.32 97.68 0.00 2.04 0.12 0.00 0.00 0.00 0.00 97.76 0.07 62 V E E 45.00 11.89 13.75 27.13 120.15 -166.84 -111.34 132.31 12.11 87.87 0.02 11.51 0.48 0.04 0.00 0.01 0.00 87.56 0.38 63 K E E 139.61 3.15 17.37 21.57 114.03 -136.62 -87.24 131.62 37.82 62.09 0.09 30.76 5.12 0.58 0.01 0.08 0.00 63.11 0.34 64 G E E 28.36 12.01 10.72 22.87 125.85 -134.16 -91.73 165.69 40.91 59.01 0.08 31.28 7.99 0.83 0.01 0.08 0.00 59.42 0.39 65 K E E 126.12 3.21 16.16 20.37 122.50 -104.59 -109.34 145.28 15.78 84.17 0.05 14.77 0.87 0.09 0.01 0.03 0.00 83.76 0.48 66 V E E 86.73 8.02 10.49 20.05 117.43 -130.78 -95.90 132.95 6.70 93.28 0.02 6.43 0.24 0.03 0.00 0.01 0.00 93.08 0.22 67 K E E 104.12 4.60 11.91 18.53 124.57 -171.72 -122.76 142.07 3.18 96.80 0.02 2.80 0.21 0.03 0.00 0.01 0.00 96.86 0.08 68 R E E 158.96 3.14 9.17 14.60 116.28 -135.89 -97.78 128.55 6.44 93.52 0.03 5.57 0.48 0.08 0.01 0.02 0.00 93.66 0.18 69 H E E 122.26 2.98 8.31 13.23 114.59 -178.42 -124.66 106.24 24.87 74.98 0.15 20.51 3.02 0.69 0.03 0.11 0.00 75.06 0.57 70 G C T 65.85 0.37 10.60 9.64 108.36 -50.88 62.27 -124.26 99.02 0.62 0.36 5.17 21.72 72.07 0.02 0.41 0.00 0.54 0.08 71 Q C T 165.93 0.37 9.24 8.68 97.08 -19.73 -91.01 -0.54 99.15 0.50 0.36 5.35 21.59 72.14 0.02 0.42 0.00 0.42 0.07 72 R E E 146.69 2.34 8.71 13.05 122.65 87.76 -107.42 142.83 20.59 79.32 0.09 15.00 5.60 0.69 0.02 0.08 0.00 77.76 0.86 73 I E E 116.02 3.90 9.05 15.24 120.03 -150.27 -106.93 136.16 8.26 91.73 0.01 7.03 0.59 0.06 0.00 0.01 0.00 92.13 0.17 74 G E E 31.74 4.77 12.62 19.13 135.86 151.28 -146.20 174.15 4.95 95.04 0.01 3.93 0.57 0.06 0.00 0.00 0.00 95.36 0.07 75 R E E 150.82 4.18 12.87 19.20 121.58 -94.24 -108.89 143.21 3.99 96.00 0.01 3.68 0.21 0.02 0.00 0.00 0.00 95.62 0.47 76 R E E 104.15 9.89 11.45 22.40 122.26 -155.33 -107.51 144.41 30.55 69.40 0.05 29.11 1.08 0.11 0.01 0.03 0.00 68.92 0.73 77 S C C 60.43 6.41 14.63 22.34 116.52 -122.90 -84.70 151.47 66.34 33.58 0.08 49.19 13.59 1.15 0.01 0.10 0.00 35.62 0.35 78 D C C 76.56 7.92 15.53 24.36 105.22 -124.00 -91.46 48.01 66.48 33.43 0.09 44.71 17.68 1.42 0.01 0.11 0.00 35.76 0.31 79 W E E 80.29 12.66 15.26 28.67 126.19 122.41 -115.85 146.54 18.74 81.25 0.01 17.26 0.98 0.04 0.00 0.01 0.00 81.21 0.49 80 K E E 47.14 14.63 17.78 33.00 126.35 -162.25 -120.94 141.57 2.71 97.29 0.00 2.44 0.11 0.00 0.00 0.00 0.00 97.37 0.08 81 K E E 69.81 12.41 22.01 34.43 122.63 -142.88 -107.13 138.68 1.05 98.95 0.00 0.95 0.03 0.00 0.00 0.00 0.00 99.00 0.02 82 A E E 6.62 22.01 17.49 39.89 124.12 -162.23 -115.87 139.06 1.38 98.62 0.00 1.37 0.02 0.00 0.00 0.00 0.00 98.59 0.02 83 Y E E 64.79 11.31 24.79 36.64 120.47 -153.41 -112.04 130.41 0.67 99.33 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.33 0.02 84 V E E 7.13 23.42 18.49 42.26 121.34 -166.95 -115.43 131.86 0.82 99.18 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.18 0.01 85 T E E 41.08 10.19 25.86 36.58 122.07 -163.46 -114.25 133.89 1.85 98.15 0.00 1.80 0.04 0.00 0.00 0.00 0.00 98.09 0.07 86 L E E 11.82 22.71 13.37 36.09 122.36 -158.31 -103.67 143.49 15.52 84.47 0.01 15.64 0.29 0.01 0.00 0.01 0.00 82.91 1.13 87 K C C 102.89 5.12 20.76 26.13 117.61 -119.33 -78.42 154.19 88.31 11.50 0.19 84.29 3.07 0.44 0.03 0.16 0.00 11.36 0.65 88 E C T 133.93 4.77 15.10 21.74 109.87 -82.71 -61.26 135.37 95.21 3.60 1.19 1.84 8.70 85.14 0.07 1.08 0.00 2.66 0.50 89 G C T 56.56 2.21 16.44 18.90 97.17 21.71 85.93 -4.26 96.31 2.76 0.93 4.61 8.05 83.56 0.05 1.03 0.00 2.50 0.20 90 Q C C 69.55 11.74 11.93 24.46 116.97 130.81 -80.17 140.96 86.52 12.70 0.78 80.21 5.28 0.79 0.15 0.67 0.00 11.55 1.34 91 N C C 112.41 3.66 19.09 23.99 113.77 -146.84 -100.31 120.18 62.64 36.88 0.49 60.12 1.49 0.45 0.19 0.26 0.00 28.32 9.17 92 L C C 30.66 20.96 11.11 31.01 119.77 -164.90 -109.37 130.37 75.47 23.79 0.74 71.62 2.51 0.74 0.24 0.42 0.00 22.08 2.38 93 D C C 86.93 4.93 21.09 26.66 109.11 -141.88 -93.28 112.47 80.09 18.80 1.12 73.97 3.90 1.49 0.33 0.70 0.00 17.46 2.16 94 F C C 66.42 17.34 13.61 30.13 99.48 176.57 -91.50 -7.00 83.93 11.95 4.12 46.92 23.54 14.16 0.96 3.19 0.01 8.72 2.50 95 V C C 80.32 8.67 15.01 24.50 111.30 70.95 -95.02 94.87 81.35 13.86 4.79 36.79 24.58 21.55 1.13 3.50 0.02 8.46 3.98 96 G C C 45.90 5.27 14.00 20.71 112.55 25.27 89.04 -2.40 88.45 7.69 3.86 39.13 26.95 23.19 0.65 3.22 0.00 5.21 1.65 97 G C C 44.87 6.34 11.67 19.45 115.15 -46.69 97.37 164.36 89.04 7.61 3.35 48.09 23.71 17.70 0.64 2.86 0.00 5.13 1.88 98 A C C 73.23 5.21 10.17 17.12 114.90 -127.87 -90.04 137.09 91.54 6.44 2.02 83.37 3.15 5.21 0.55 1.24 0.00 4.50 1.98 99 E C C 141.72 2.91 13.22 17.81 111.67 -119.98 -83.86 126.46 99.63 0.34 0.03 99.54 0.14 0.06 0.01 0.00 0.00 0.22 0.03