# 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 86.70 4.81 11.51 17.87 117.21 -156.57 -98.06 139.84 99.92 0.06 0.01 99.85 0.08 0.03 0.01 0.00 0.00 0.02 0.01 1 K C C 136.96 3.54 9.92 15.19 114.60 -129.61 -93.77 132.40 86.32 7.69 5.99 82.68 1.80 2.11 4.45 1.17 0.00 4.12 3.68 2 K C C 139.28 3.15 9.37 14.36 111.69 -129.77 -82.87 137.01 77.03 10.44 12.53 58.84 11.58 5.76 8.46 4.47 0.01 6.58 4.30 3 R C C 149.24 4.44 9.35 15.52 110.32 -125.34 -83.17 130.69 71.30 11.23 17.48 51.15 11.32 8.07 9.64 8.15 0.02 7.33 4.32 4 R C C 151.21 3.65 11.59 16.76 111.17 -130.28 -90.69 123.50 67.99 12.08 19.94 39.82 15.25 12.96 9.69 9.87 0.10 7.92 4.40 5 N C C 83.00 7.51 10.04 18.90 110.46 -130.22 -94.58 107.48 73.39 9.97 16.64 40.91 16.76 16.01 7.39 8.59 0.07 6.10 4.17 6 N C C 97.71 4.90 12.22 18.51 103.48 -172.00 -97.33 25.80 81.24 5.40 13.36 37.99 21.76 22.45 5.79 6.64 0.03 2.72 2.63 7 G C T 43.58 5.67 12.17 19.04 102.56 -109.64 72.04 -3.14 76.99 2.46 20.54 19.78 26.06 32.31 7.16 12.05 0.04 1.18 1.42 8 R C C 147.08 3.77 13.58 18.40 101.58 92.21 -84.25 -12.51 63.10 6.71 30.19 24.00 19.21 21.52 10.71 17.53 0.23 3.50 3.30 9 A C C 51.64 8.30 9.96 19.56 110.44 73.37 -84.61 120.49 59.99 9.17 30.84 32.25 13.46 15.20 10.73 19.32 0.10 5.64 3.30 10 K C C 137.89 3.58 12.29 17.27 106.56 -133.69 -90.17 49.95 59.98 11.94 28.08 29.69 14.69 16.76 9.89 17.16 0.21 7.20 4.39 11 K C T 148.16 2.40 11.34 15.00 110.47 51.28 -92.97 126.96 72.44 8.57 18.99 17.23 20.35 35.19 5.62 12.75 0.26 5.24 3.35 12 G C T 53.01 2.86 11.63 15.58 108.31 5.24 85.51 -30.03 88.34 3.06 8.59 17.06 25.51 45.33 1.24 7.77 0.01 1.96 1.12 13 R C T 165.93 2.61 11.32 15.30 105.16 27.12 -90.48 35.73 85.65 5.78 8.57 29.13 26.80 29.73 1.16 7.52 0.01 2.85 2.81 14 G C S 43.86 5.33 12.40 19.07 109.24 -90.89 82.47 -5.08 86.75 7.32 5.93 28.96 31.29 26.51 0.69 5.58 0.01 4.39 2.57 15 H C C 108.39 6.39 13.59 21.23 113.34 88.46 -91.76 125.84 82.75 13.65 3.60 39.95 29.34 13.47 0.66 3.27 0.01 7.57 5.72 16 V C C 63.86 11.29 12.80 24.89 113.79 -145.59 -98.00 127.98 80.73 18.36 0.90 62.91 15.03 1.92 0.30 0.65 0.00 8.51 10.68 17 Q C C 97.65 6.22 18.28 25.39 119.84 -145.50 -99.63 140.13 91.86 8.10 0.04 84.12 7.84 0.16 0.01 0.03 0.00 6.81 1.03 18 P C C 57.38 11.87 16.94 29.23 115.63 -103.54 -68.13 147.77 87.14 12.82 0.04 83.06 4.00 0.15 0.00 0.04 0.00 11.96 0.79 19 I E E 31.36 16.43 16.29 33.36 122.37 -152.58 -111.78 136.94 12.41 87.58 0.01 11.66 0.77 0.02 0.00 0.01 0.00 84.78 2.77 20 R E E 111.40 7.81 21.56 29.91 117.03 -134.92 -97.84 131.31 4.89 95.10 0.01 4.88 0.13 0.00 0.01 0.00 0.00 80.12 14.85 21 C C C 13.27 19.35 12.07 32.19 109.59 -120.46 -73.23 125.99 74.98 24.99 0.03 76.37 0.50 0.04 0.01 0.02 0.00 21.44 1.62 22 T C T 71.09 7.53 18.32 26.98 93.63 -151.81 -70.94 -23.73 99.33 0.36 0.31 0.97 10.42 87.88 0.01 0.39 0.00 0.27 0.07 23 N C T 92.63 5.79 17.28 23.79 100.81 41.58 -88.24 -39.07 99.47 0.16 0.37 0.25 6.56 92.64 0.01 0.40 0.00 0.10 0.04 24 C C T 57.94 7.06 15.66 23.83 103.21 17.05 -113.68 -9.10 99.26 0.34 0.40 4.32 19.49 75.29 0.02 0.56 0.00 0.20 0.12 25 A C C 59.29 8.86 15.48 25.36 95.63 -129.36 70.73 11.63 98.80 1.08 0.11 82.41 12.29 4.09 0.02 0.12 0.00 0.66 0.41 26 R C C 107.50 6.12 19.62 26.85 121.75 131.38 -85.53 149.39 86.12 13.86 0.03 80.11 6.39 0.13 0.01 0.02 0.00 12.13 1.20 27 C E E 51.35 13.40 18.00 31.59 115.57 -114.33 -83.10 136.49 3.57 96.42 0.01 3.11 0.44 0.02 0.01 0.00 0.00 78.65 17.77 28 V E E 15.67 17.74 15.19 33.71 129.68 -174.22 -130.20 147.36 24.87 75.13 0.00 23.83 0.88 0.01 0.00 0.00 0.00 73.86 1.42 29 P C C 50.69 5.82 20.82 27.56 113.26 -100.52 -63.97 143.38 51.70 48.28 0.02 52.92 0.70 0.03 0.01 0.01 0.00 44.16 2.18 30 K H G 92.91 14.33 12.29 26.48 91.32 -120.21 -57.88 -36.09 34.35 0.52 65.13 1.12 3.22 28.47 1.03 65.72 0.00 0.35 0.08 31 D H G 120.16 1.26 19.04 19.40 90.40 61.31 -70.06 -15.87 34.97 0.48 64.54 0.60 2.65 30.61 1.33 64.42 0.00 0.30 0.09 32 K H G 105.23 6.97 17.10 25.10 96.78 53.01 -98.05 -0.05 30.90 1.17 67.93 2.89 4.90 22.61 2.62 65.99 0.00 0.82 0.15 33 A C C 15.78 20.91 10.88 30.92 116.13 101.48 -82.06 138.72 65.26 30.91 3.83 52.66 9.97 2.05 1.89 2.05 0.01 28.06 3.32 34 I E E 65.74 10.15 17.91 29.02 119.89 -149.67 -109.66 132.09 15.62 84.17 0.21 13.89 1.55 0.18 0.15 0.10 0.00 80.71 3.41 35 K E E 114.44 8.99 16.01 26.04 116.78 -152.50 -97.49 130.77 15.55 84.30 0.15 13.22 1.66 0.13 0.06 0.06 0.00 84.59 0.26 36 K E E 106.04 6.65 15.77 23.91 127.30 -166.52 -127.45 143.68 13.42 86.30 0.27 11.64 1.22 0.16 0.12 0.10 0.00 86.55 0.21 37 F E E 100.64 9.95 12.53 23.68 121.32 -152.45 -112.27 134.66 7.13 92.72 0.15 6.78 0.30 0.04 0.10 0.04 0.00 92.44 0.28 38 V E E 71.66 6.71 14.41 22.96 119.49 -160.31 -113.02 129.13 7.72 92.16 0.12 7.28 0.34 0.04 0.09 0.03 0.00 91.89 0.33 39 I E E 89.85 7.45 12.09 21.34 115.17 -148.03 -97.90 125.76 20.79 78.93 0.28 19.23 1.08 0.15 0.15 0.10 0.00 78.76 0.53 40 R C E 125.60 5.93 11.95 19.53 117.85 -166.77 -104.28 140.53 54.09 44.87 1.05 42.80 9.58 0.99 0.69 0.39 0.00 44.56 1.00 41 N C C 87.46 4.15 12.17 17.72 116.29 -115.78 -87.76 142.44 76.20 21.82 1.98 66.02 8.45 0.89 1.82 0.48 0.00 20.03 2.30 42 I H H 112.13 3.80 11.35 16.76 94.37 -120.30 -62.85 -37.04 9.87 0.62 89.52 5.10 2.33 3.36 86.70 1.93 0.02 0.44 0.12 43 V H H 100.83 1.61 13.52 14.96 93.35 53.71 -65.99 -39.95 6.17 0.58 93.26 2.89 1.16 2.77 90.10 2.46 0.03 0.50 0.09 44 E H H 94.74 3.71 13.41 18.34 93.61 50.50 -67.34 -39.17 4.58 0.69 94.73 2.41 0.81 1.97 90.53 3.50 0.03 0.68 0.08 45 A H H 37.51 7.18 11.16 20.33 92.68 53.89 -65.25 -39.64 4.60 0.46 94.94 2.16 0.71 2.10 91.46 3.06 0.02 0.43 0.06 46 A H H 61.60 2.90 14.19 17.85 92.97 53.62 -66.34 -36.55 10.79 0.70 88.51 3.06 1.22 6.78 84.47 3.68 0.06 0.61 0.13 47 A H H 68.40 2.44 13.44 16.47 94.05 54.37 -71.46 -28.34 21.40 1.23 77.37 4.53 2.05 14.58 73.76 3.71 0.10 1.02 0.24 48 V H H 78.12 6.11 11.14 18.66 101.32 60.11 -85.33 -2.93 31.37 5.51 63.12 12.32 4.85 14.45 58.96 3.92 0.13 4.40 0.98 49 R H H 151.28 3.46 12.55 17.46 100.19 107.96 -73.38 -25.85 43.95 6.06 49.99 19.30 7.81 16.19 46.31 4.43 0.10 4.74 1.12 50 D C H 91.07 3.11 12.70 16.79 103.31 53.43 -88.68 50.57 53.04 3.97 42.99 29.28 5.52 17.29 39.67 4.41 0.02 2.90 0.90 51 I H H 87.67 6.99 9.91 18.35 96.83 123.02 -70.06 -30.82 30.73 2.30 66.97 17.93 5.43 8.74 55.29 10.39 0.06 1.55 0.61 52 S H H 76.41 2.85 12.41 16.41 95.06 62.37 -70.28 -31.30 28.73 1.91 69.36 11.39 4.79 12.73 55.25 13.85 0.14 1.32 0.53 53 E H H 137.82 1.68 13.24 15.13 95.53 52.23 -79.15 -19.47 31.21 1.50 67.29 8.66 5.95 16.81 52.55 14.33 0.22 0.93 0.55 54 A H H 52.69 6.59 10.10 18.35 104.63 66.17 -84.67 11.60 48.65 2.64 48.71 16.57 14.49 19.33 39.02 7.87 0.24 1.34 1.14 55 S C C 60.94 4.78 12.17 18.40 105.76 -128.87 -78.49 65.73 61.44 8.70 29.86 33.90 11.29 16.81 22.66 7.09 0.13 5.27 2.85 56 V C H 83.99 5.78 11.15 18.45 96.97 123.46 -73.54 -27.42 52.16 14.33 33.51 22.26 13.43 18.14 23.38 8.82 0.68 9.59 3.69 57 F C H 125.06 4.33 11.47 17.18 97.60 57.11 -75.88 -27.38 50.66 17.47 31.87 19.89 13.63 19.12 21.09 9.02 1.12 11.01 5.12 58 D C C 98.34 3.13 12.09 16.35 98.95 54.08 -84.12 -6.79 60.96 8.87 30.17 26.88 14.83 20.57 19.51 9.74 0.29 5.25 2.93 59 A C T 66.93 4.65 10.93 16.92 100.94 59.81 -83.88 -12.15 69.34 3.40 27.26 12.87 17.66 38.65 16.42 10.62 0.25 1.99 1.53 60 Y C T 152.77 3.79 11.44 16.70 105.56 47.73 -85.85 32.82 67.15 10.48 22.37 17.89 17.90 32.23 12.55 9.11 0.52 6.63 3.17 61 V C C 91.92 4.78 11.67 17.98 109.25 109.33 -95.41 75.97 59.87 23.49 16.64 32.03 17.33 11.78 10.88 5.66 0.66 13.69 7.98 62 L C C 76.17 8.78 9.70 19.79 115.70 122.20 -93.84 132.33 73.23 16.44 10.33 47.97 20.49 5.09 7.33 3.43 0.06 11.22 4.41 63 P C C 76.66 5.43 12.46 19.53 106.82 -109.64 -68.35 140.02 74.44 9.37 16.19 52.13 10.65 11.49 6.77 9.46 0.01 7.51 1.97 64 K C T 136.16 4.23 13.10 18.69 99.23 -120.99 -74.40 -13.63 62.30 9.20 28.49 20.12 20.67 24.25 7.82 18.50 0.15 6.64 1.85 65 L C T 91.16 6.89 13.32 21.31 102.24 65.74 -86.39 2.90 53.86 18.86 27.28 19.46 16.70 21.09 7.67 17.16 0.14 16.01 1.77 66 Y E E 99.17 10.10 14.21 25.11 112.01 73.43 -102.03 103.16 35.86 44.24 19.90 22.52 8.75 7.35 7.41 10.58 0.04 41.59 1.74 67 V E E 47.68 13.27 14.60 28.52 120.84 141.68 -108.36 134.48 26.10 69.16 4.74 20.05 4.54 1.56 3.17 1.51 0.00 68.23 0.95 68 K E E 93.82 9.86 19.87 30.12 118.34 -149.16 -100.54 131.45 13.85 83.53 2.62 11.62 1.34 0.51 2.16 0.57 0.00 83.12 0.68 69 L E E 39.49 17.26 17.92 34.95 120.06 -153.08 -106.30 131.46 13.23 84.86 1.91 11.56 0.91 0.35 1.70 0.39 0.00 84.66 0.43 70 H E E 52.50 14.03 21.49 35.58 123.72 -166.20 -116.23 138.18 12.49 86.14 1.37 10.63 1.35 0.49 1.07 0.41 0.00 85.26 0.78 71 Y E E 44.77 17.75 20.20 37.52 123.79 -159.45 -113.74 139.27 23.70 74.78 1.52 20.34 2.26 0.62 1.09 0.52 0.00 73.71 1.45 72 C C C 21.49 15.76 21.29 37.19 110.92 -129.77 -88.38 122.48 58.19 40.07 1.74 56.17 1.48 0.43 1.35 0.39 0.00 38.37 1.82 73 V H H 38.74 16.49 19.68 35.95 94.72 -146.01 -66.08 -33.51 18.43 2.26 79.31 9.37 3.46 6.92 68.18 9.58 0.11 2.02 0.36 74 S H H 44.92 7.74 22.00 30.51 91.67 58.30 -63.95 -39.06 10.52 1.01 88.47 3.23 1.83 5.72 74.68 13.37 0.10 0.89 0.17 75 C H H 31.20 10.80 19.21 31.18 92.19 51.29 -66.55 -38.58 5.96 0.58 93.46 1.86 1.00 3.08 78.26 15.16 0.04 0.52 0.08 76 A H H 12.41 16.97 14.89 32.48 91.90 54.53 -65.05 -39.77 7.71 1.36 90.93 3.06 1.41 3.70 79.34 11.05 0.09 1.10 0.25 77 I H H 76.70 8.48 16.98 26.22 92.53 51.11 -67.16 -39.66 14.35 3.32 82.32 4.12 2.39 8.61 74.28 6.77 0.53 2.56 0.73 78 H H H 124.32 3.40 16.81 20.87 94.26 47.84 -74.79 -27.47 26.94 3.08 69.98 5.68 4.04 17.70 64.83 4.09 0.61 2.09 0.96 79 S C T 47.88 8.21 12.36 21.97 97.59 54.59 -87.30 -1.11 70.52 1.01 28.47 10.02 13.24 44.54 28.17 2.93 0.08 0.46 0.55 80 K C T 152.82 2.89 15.47 19.67 95.55 -127.00 60.70 22.65 77.73 1.40 20.88 11.07 13.70 51.04 19.30 3.35 0.10 0.76 0.68 81 V C T 65.37 8.79 14.18 24.15 99.90 121.35 -90.74 -16.34 71.40 6.76 21.84 22.88 24.37 24.44 17.68 4.15 0.34 3.48 2.66 82 V C C 54.50 13.67 11.70 25.33 117.59 64.76 -109.58 135.63 71.26 9.41 19.33 33.77 24.23 13.81 15.24 4.17 0.20 5.35 3.23 83 R C C 139.71 4.94 16.05 22.25 115.42 -154.80 -95.56 132.94 77.61 8.16 14.23 49.34 18.23 9.57 11.63 3.54 0.03 5.03 2.64 84 N C C 92.10 8.01 13.17 22.37 109.64 -123.23 -85.13 120.04 85.44 4.74 9.82 65.42 12.68 6.57 8.10 2.54 0.00 2.98 1.70 85 R C C 111.42 8.52 11.61 21.33 116.83 -162.45 -94.28 136.53 88.11 2.65 9.24 69.26 13.76 4.31 8.47 1.62 0.00 1.33 1.25 86 S C C 51.85 4.62 12.92 19.16 114.88 -110.59 -75.84 148.47 87.72 1.39 10.89 78.51 6.10 2.34 10.76 1.02 0.00 0.54 0.73 87 R H H 155.01 3.01 11.87 16.52 93.26 -123.23 -61.60 -37.16 10.35 0.14 89.51 4.39 2.51 4.12 85.99 2.87 0.01 0.06 0.05 88 E H H 121.37 1.40 14.18 15.12 92.09 53.31 -65.00 -40.37 6.83 0.17 93.00 2.17 1.18 3.80 88.36 4.32 0.02 0.11 0.04 89 A H H 37.07 6.08 11.20 19.52 91.99 50.55 -64.72 -39.67 5.50 0.20 94.29 2.10 0.84 2.81 88.61 5.42 0.01 0.17 0.03 90 R H H 102.11 7.38 10.99 19.91 92.22 52.47 -66.17 -37.30 7.40 0.20 92.40 2.60 1.10 3.95 87.16 4.98 0.02 0.13 0.05 91 K H H 141.95 1.66 13.73 15.72 91.94 53.96 -68.05 -31.70 22.22 0.31 77.47 3.86 2.82 15.51 73.95 3.50 0.07 0.14 0.15 92 D C H 103.31 2.03 13.06 15.61 95.92 50.02 -87.50 -4.28 51.49 0.42 48.09 10.41 7.73 32.49 46.64 2.30 0.03 0.15 0.25 93 R C C 123.35 7.91 9.31 18.36 104.48 92.78 -80.18 73.34 88.32 2.41 9.28 55.20 21.23 11.36 7.95 1.59 0.00 0.81 1.84 94 T C C 89.42 3.23 11.76 16.63 117.56 119.77 -100.38 134.40 96.81 2.79 0.40 70.55 25.47 0.80 0.24 0.13 0.00 0.97 1.84 95 P C C 91.89 3.62 10.78 16.38 116.54 -105.40 -67.88 149.57 99.54 0.39 0.07 89.54 9.69 0.33 0.02 0.03 0.00 0.15 0.23 96 P C C 80.21 5.70 9.03 16.69 115.94 -102.25 -65.26 151.53 99.59 0.16 0.26 92.23 6.22 1.14 0.06 0.17 0.00 0.06 0.12 97 P C C 99.28 2.68 10.16 14.57 112.88 -99.28 -66.38 148.10 97.54 0.34 2.11 75.14 12.32 9.64 0.29 2.22 0.00 0.17 0.21 98 R C C 181.67 1.67 8.40 11.78 109.95 -115.48 -83.90 127.61 94.10 2.61 3.29 62.76 19.50 11.31 0.54 3.13 0.00 1.35 1.42 99 F C C 147.75 3.36 6.48 11.69 111.78 -141.70 -92.30 126.31 94.93 2.89 2.18 87.75 2.91 4.56 0.48 1.43 0.00 1.51 1.37 100 R C C 181.22 1.56 10.09 12.94 110.89 -149.58 -92.20 120.73 99.89 0.09 0.02 99.80 0.09 0.05 0.01 0.00 0.00 0.04 0.02