# 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 99.45 9.59 14.19 24.38 115.45 141.24 -99.43 134.09 99.90 0.09 0.00 99.89 0.04 0.01 0.00 0.00 0.00 0.05 0.01 1 Q C C 92.78 8.83 14.91 24.68 117.98 -158.00 -99.38 134.84 90.17 9.39 0.44 88.32 0.88 1.87 0.12 0.21 0.00 7.11 1.49 2 K C C 112.38 7.45 19.01 27.20 114.58 -132.67 -88.08 135.44 83.33 16.13 0.53 62.87 17.06 3.11 0.15 0.47 0.00 12.52 3.81 3 I C C 10.58 24.41 11.36 35.56 120.11 -149.72 -102.26 137.06 81.24 18.61 0.15 78.09 3.66 0.12 0.09 0.06 0.00 9.03 8.96 4 R C C 110.10 5.04 23.65 28.75 128.09 -155.45 -109.74 158.17 96.22 3.69 0.09 96.50 0.53 0.07 0.02 0.04 0.00 1.72 1.11 5 R C T 118.35 11.09 15.23 26.62 109.61 -88.48 -61.91 139.15 99.34 0.46 0.20 0.19 1.28 98.14 0.00 0.12 0.00 0.23 0.05 6 D C T 101.16 3.79 20.56 25.01 93.58 18.38 76.26 2.43 99.76 0.16 0.08 0.22 1.41 98.20 0.00 0.06 0.00 0.10 0.01 7 D C C 29.00 14.99 14.75 30.80 118.54 136.10 -73.10 146.72 96.92 3.07 0.02 94.34 2.55 0.07 0.00 0.01 0.00 2.92 0.11 8 E E E 83.45 8.20 24.57 33.23 114.28 -119.59 -82.68 132.87 3.81 96.17 0.01 3.93 0.12 0.01 0.01 0.00 0.00 94.77 1.17 9 V E E 3.09 25.87 16.92 43.50 131.26 -173.71 -128.32 151.24 1.72 98.26 0.02 1.57 0.09 0.02 0.00 0.01 0.00 98.22 0.08 10 I E E 33.60 11.61 26.39 39.22 118.85 -139.35 -110.03 130.16 2.75 96.87 0.38 2.46 0.23 0.14 0.15 0.18 0.00 96.71 0.13 11 V E E 8.55 22.43 17.39 40.65 109.46 -125.54 -78.75 122.60 15.13 84.68 0.19 14.60 0.65 0.18 0.05 0.12 0.00 83.64 0.77 12 I C C 52.56 10.78 22.26 33.94 100.09 175.69 -99.82 -24.36 87.09 12.62 0.29 64.38 20.50 1.84 0.05 0.28 0.00 12.16 0.78 13 A C S 42.39 6.60 22.17 29.61 140.32 11.46 -150.09 157.18 94.62 4.72 0.66 13.94 75.95 5.10 0.10 0.49 0.00 2.97 1.45 14 G C S 35.50 4.70 19.01 24.92 127.56 33.68 91.36 -165.58 91.90 1.66 6.43 7.58 74.62 10.10 0.64 5.23 0.00 0.66 1.18 15 K C T 154.17 2.50 18.55 21.62 92.84 -43.81 -69.51 -22.10 87.37 0.83 11.80 1.54 18.76 66.64 0.39 11.76 0.00 0.42 0.49 16 D C T 36.44 15.54 12.86 28.84 95.86 50.94 -98.93 8.91 89.75 0.90 9.36 4.13 10.02 74.30 0.43 10.18 0.00 0.56 0.38 17 K C T 100.13 11.11 13.72 25.95 111.16 132.96 -61.25 132.28 97.16 1.00 1.85 1.56 2.58 93.29 0.21 1.40 0.00 0.50 0.47 18 G C T 49.70 3.76 19.69 24.08 93.79 21.04 86.52 -2.73 98.49 0.71 0.81 1.48 3.20 93.82 0.06 0.76 0.00 0.59 0.09 19 K C C 82.61 9.99 17.92 28.93 119.87 126.00 -77.00 145.26 96.39 3.44 0.18 91.66 4.03 0.60 0.03 0.16 0.00 3.28 0.24 20 R E E 119.75 10.14 20.00 31.09 126.83 -149.46 -116.50 143.35 8.46 91.47 0.07 8.05 0.54 0.06 0.05 0.03 0.00 85.64 5.63 21 G E E 9.72 14.93 20.51 35.88 143.26 149.09 -158.74 -174.61 4.87 95.12 0.01 4.02 0.54 0.04 0.00 0.01 0.00 95.33 0.06 22 K E E 93.22 6.83 25.76 33.46 120.26 -80.53 -101.06 139.71 1.77 98.22 0.01 1.56 0.10 0.00 0.00 0.00 0.00 98.29 0.05 23 V E E 6.57 24.70 13.65 39.29 109.33 -115.13 -73.92 125.31 1.92 98.06 0.02 1.91 0.04 0.00 0.01 0.01 0.00 97.98 0.05 24 L E E 74.41 7.00 22.57 30.29 100.49 175.89 -96.30 -30.99 3.02 96.95 0.03 2.19 0.60 0.03 0.00 0.02 0.00 97.14 0.02 25 K E E 96.14 4.80 24.70 30.19 139.21 0.59 -152.17 150.97 0.74 99.25 0.01 0.56 0.08 0.01 0.00 0.01 0.00 99.34 0.01 26 V E E 43.22 18.83 13.96 32.00 118.58 -150.61 -112.34 125.39 1.52 98.46 0.02 1.35 0.08 0.01 0.00 0.00 0.00 98.47 0.09 27 L E E 51.04 9.62 14.16 25.56 118.01 -146.21 -90.35 144.30 27.46 72.43 0.11 24.89 1.40 0.25 0.02 0.07 0.00 73.00 0.37 28 A C T 80.78 3.50 15.01 19.62 97.70 -116.32 -67.48 -21.81 70.84 26.72 2.44 21.68 10.17 38.16 0.20 2.36 0.00 26.71 0.72 29 D C T 106.15 2.61 16.77 19.49 96.99 46.06 -81.83 6.67 97.87 0.90 1.24 36.09 10.41 51.14 0.11 1.40 0.00 0.73 0.12 30 D C T 67.36 12.95 14.97 27.63 97.39 -89.98 68.50 26.14 97.17 1.76 1.06 37.46 17.88 41.50 0.07 1.35 0.00 1.61 0.15 31 R E E 67.41 10.94 20.27 32.06 126.39 129.49 -109.13 146.93 25.35 74.63 0.02 22.67 1.46 0.13 0.00 0.02 0.00 75.35 0.36 32 L E E 6.65 23.55 17.13 41.32 119.87 -141.83 -105.70 132.34 0.80 99.20 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.23 0.02 33 V E E 33.91 10.71 26.39 38.25 117.27 -156.86 -107.36 125.88 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 34 V E E 5.40 24.51 16.85 41.89 117.15 -167.55 -112.33 123.05 0.38 99.62 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.62 0.01 35 G E E 27.93 8.29 23.83 32.26 123.47 -159.95 -98.99 156.01 17.39 82.55 0.05 10.22 4.97 1.43 0.00 0.07 0.00 83.15 0.16 36 G C E 32.73 6.84 23.39 30.90 104.08 17.37 81.52 24.15 53.94 45.90 0.16 16.08 31.39 5.50 0.01 0.16 0.00 46.60 0.26 37 V C E 26.84 21.97 13.54 34.38 115.04 138.50 -90.27 124.84 53.05 46.47 0.48 45.89 5.50 0.99 0.08 0.41 0.00 46.30 0.83 38 N E E 74.35 8.14 21.77 30.13 109.34 -158.27 -104.57 80.86 43.46 56.18 0.37 32.13 9.58 1.83 0.05 0.35 0.00 55.21 0.85 39 L E E 64.56 13.40 15.70 29.33 118.54 -151.00 -99.76 131.15 16.77 83.13 0.10 14.11 2.26 0.27 0.02 0.07 0.00 82.35 0.91 40 I E E 63.38 11.02 15.26 27.44 123.44 -170.00 -117.34 135.06 6.20 93.77 0.02 5.63 0.46 0.04 0.01 0.01 0.00 93.48 0.37 41 K E E 115.43 6.97 15.25 23.62 115.83 -136.88 -93.29 129.50 7.09 92.88 0.03 6.32 0.53 0.06 0.01 0.02 0.00 92.83 0.24 42 R E E 122.22 7.56 13.21 22.23 117.09 -161.61 -103.59 132.79 14.23 85.69 0.08 11.84 1.94 0.23 0.02 0.05 0.00 85.54 0.37 43 H E E 108.82 6.20 12.17 20.01 117.70 -141.72 -101.67 134.60 23.64 76.25 0.11 20.70 2.51 0.30 0.03 0.08 0.00 75.12 1.26 44 T E E 76.38 7.13 11.10 19.92 120.41 -166.78 -109.24 138.98 41.89 58.01 0.11 35.95 5.23 0.34 0.03 0.08 0.00 55.63 2.73 45 K C C 135.53 2.82 13.27 17.43 117.85 -120.97 -92.10 138.22 75.47 24.43 0.10 67.24 6.85 0.32 0.02 0.07 0.00 24.75 0.75 46 P C C 80.00 5.72 10.09 17.68 114.03 -105.04 -66.25 147.50 78.40 21.01 0.59 71.07 6.02 0.79 0.26 0.36 0.00 17.86 3.62 47 N C C 66.93 6.06 8.38 16.62 110.12 -124.30 -91.45 116.67 75.75 22.73 1.52 70.27 3.56 0.61 1.03 0.54 0.00 8.14 15.86 48 P H G 113.06 1.48 9.41 12.21 92.89 -150.00 -64.52 -28.43 31.02 0.39 68.59 3.64 3.63 22.01 3.48 66.88 0.00 0.25 0.12 49 M H G 153.52 0.71 9.64 10.27 94.31 55.78 -72.10 -29.75 31.51 0.45 68.04 3.02 3.50 23.76 3.71 65.58 0.01 0.28 0.15 50 L H G 107.74 2.59 8.77 12.70 97.71 38.29 -93.62 -5.98 31.58 0.36 68.06 1.83 3.42 25.06 3.47 65.87 0.01 0.19 0.15 51 G C T 62.07 0.97 11.31 12.51 96.48 -115.54 74.65 15.82 98.00 0.49 1.51 12.77 6.72 78.50 0.29 1.22 0.00 0.34 0.16 52 Q C C 95.52 4.40 9.17 15.71 124.10 122.39 -108.20 151.28 68.80 29.23 1.97 49.36 15.37 3.57 0.73 1.39 0.01 13.79 15.77 53 Q C C 141.90 1.64 13.59 15.92 112.68 -104.42 -75.69 137.20 74.35 24.54 1.11 57.94 11.48 4.08 0.33 0.96 0.00 18.00 7.20 54 G C C 34.22 9.46 10.39 20.59 124.12 -138.38 -121.69 171.56 80.32 19.30 0.39 53.77 21.48 4.86 0.06 0.41 0.00 18.20 1.24 55 G E E 35.75 5.03 15.27 21.43 127.63 -139.77 145.29 -171.80 47.55 52.33 0.12 35.13 10.78 1.15 0.01 0.13 0.00 52.06 0.75 56 I E E 92.90 9.57 12.49 23.14 121.17 -80.17 -107.80 133.82 8.67 91.32 0.00 7.82 0.56 0.02 0.00 0.00 0.00 91.26 0.34 57 V E E 66.83 7.35 14.53 23.62 123.72 -169.96 -120.40 138.20 1.18 98.82 0.00 1.14 0.03 0.00 0.00 0.00 0.00 98.80 0.03 58 E E E 112.51 8.47 13.59 23.63 119.69 -145.45 -105.82 133.72 1.01 98.99 0.00 0.93 0.03 0.00 0.00 0.00 0.00 99.02 0.01 59 K E E 89.26 7.36 16.43 25.34 131.10 175.12 -135.47 148.87 1.97 98.02 0.00 1.83 0.07 0.01 0.00 0.00 0.00 98.03 0.06 60 E E E 104.08 9.57 16.51 26.94 116.77 -118.19 -85.26 136.08 8.82 91.17 0.01 8.20 0.48 0.03 0.00 0.00 0.00 90.92 0.36 61 A E E 20.79 15.00 17.03 32.81 133.27 168.73 -137.00 151.38 36.51 63.48 0.01 33.98 1.19 0.03 0.00 0.00 0.00 64.60 0.20 62 P E E 61.68 9.66 22.58 32.38 114.80 -103.33 -68.60 145.59 30.93 69.06 0.01 27.52 2.43 0.10 0.00 0.02 0.00 69.27 0.66 63 L E E 11.27 23.94 15.58 39.55 126.60 -164.43 -121.00 139.77 17.02 82.96 0.02 15.93 0.76 0.03 0.01 0.01 0.00 75.74 7.52 64 H E E 70.72 8.79 25.30 34.65 111.03 -123.81 -81.74 127.84 32.59 67.38 0.03 34.20 0.37 0.02 0.01 0.02 0.00 60.58 4.80 65 V H G 22.56 22.43 16.49 38.64 92.01 -131.76 -61.62 -30.72 7.10 0.49 92.41 1.33 0.87 3.62 0.66 93.02 0.00 0.50 0.01 66 S H G 56.28 9.40 22.79 33.01 90.44 66.81 -70.94 -15.16 6.28 0.41 93.32 0.46 0.62 4.16 0.47 93.88 0.00 0.39 0.00 67 N H G 50.98 13.18 22.06 35.82 97.12 55.79 -99.32 3.49 7.40 0.49 92.10 0.96 0.96 4.17 0.41 93.01 0.00 0.48 0.01 68 V E E 5.55 25.41 17.89 43.78 121.78 94.20 -105.21 137.29 35.10 63.87 1.03 29.72 4.71 0.48 0.50 0.64 0.00 58.22 5.73 69 A E E 20.34 15.09 25.74 40.76 125.73 -163.01 -114.73 142.49 26.25 73.67 0.08 25.72 0.66 0.07 0.03 0.04 0.00 71.53 1.95 70 I E E 16.52 21.11 21.38 42.12 118.13 -144.59 -105.59 129.82 15.38 84.56 0.06 13.75 1.50 0.10 0.02 0.04 0.00 83.96 0.63 71 F E E 54.02 12.36 20.11 33.44 118.09 -155.88 -105.43 129.86 3.83 96.13 0.03 3.66 0.19 0.01 0.07 0.01 0.00 78.12 17.95 72 N C C 27.87 12.49 13.73 28.41 108.68 -135.92 -88.45 115.46 64.22 35.76 0.03 64.07 0.61 0.05 0.01 0.01 0.00 33.96 1.30 73 T C T 82.50 5.89 14.36 22.13 93.04 -158.68 -66.44 -26.56 99.65 0.07 0.28 0.30 3.02 96.38 0.01 0.23 0.00 0.04 0.02 74 E C T 147.80 1.20 14.44 15.22 96.66 48.83 -75.24 -39.73 99.64 0.05 0.31 0.13 2.18 97.40 0.00 0.24 0.00 0.02 0.02 75 T C T 75.53 3.56 12.55 17.31 101.02 23.58 -103.73 -14.52 99.69 0.04 0.26 0.37 2.65 96.69 0.00 0.25 0.00 0.02 0.01 76 S C C 76.77 5.34 12.62 20.03 94.29 -128.39 65.16 24.61 99.46 0.33 0.21 57.50 7.59 34.39 0.04 0.15 0.00 0.25 0.08 77 K C C 107.90 3.84 18.00 22.96 124.13 126.22 -104.53 149.57 68.73 31.19 0.08 56.53 11.69 0.57 0.02 0.08 0.00 28.97 2.13 78 A E E 42.53 14.06 14.96 29.10 116.30 -106.63 -74.28 142.08 4.09 95.88 0.03 3.85 0.24 0.02 0.03 0.01 0.00 73.20 22.65 79 D E E 33.21 14.70 17.78 32.79 130.42 -167.91 -126.21 158.06 39.92 60.04 0.04 34.52 3.46 0.18 0.01 0.03 0.00 61.58 0.23 80 R E E 99.56 10.48 22.64 33.18 116.71 -110.18 -90.01 135.48 17.83 82.13 0.04 15.43 1.91 0.12 0.01 0.03 0.00 81.83 0.68 81 V E E 17.64 20.82 16.95 37.57 120.36 -155.64 -106.71 134.51 11.68 88.29 0.02 10.94 0.38 0.03 0.01 0.01 0.00 88.34 0.29 82 G E E 10.84 12.73 22.10 35.57 137.53 166.78 -138.41 171.00 4.68 95.30 0.01 3.86 0.63 0.04 0.00 0.01 0.00 95.27 0.20 83 F E E 57.82 15.60 17.13 32.80 127.82 -123.27 -125.00 145.22 3.65 96.32 0.02 3.12 0.36 0.03 0.00 0.01 0.00 96.21 0.26 84 K E E 85.73 8.10 17.17 26.46 124.52 -157.60 -118.25 139.70 7.77 92.15 0.07 6.84 0.59 0.09 0.02 0.03 0.00 92.08 0.35 85 V E E 64.75 9.64 11.18 22.15 116.80 -141.76 -99.77 130.77 36.75 62.86 0.39 32.76 2.26 0.51 0.07 0.26 0.00 63.61 0.54 86 E E E 116.37 4.45 10.16 16.34 113.33 149.04 -108.33 116.69 43.09 53.13 3.78 10.88 9.94 24.77 0.29 3.59 0.01 49.20 1.33 87 D C T 132.88 0.60 11.67 11.39 94.98 0.10 49.06 30.16 96.21 1.09 2.70 4.67 10.20 80.67 0.11 3.30 0.00 0.87 0.19 88 G C T 59.59 1.66 10.76 13.37 95.66 -68.23 81.11 1.66 96.71 0.99 2.30 9.37 31.74 55.04 0.08 2.82 0.00 0.75 0.18 89 K E E 118.49 2.94 12.39 17.07 122.16 115.84 -101.07 142.79 40.03 59.85 0.12 32.81 5.84 0.72 0.02 0.11 0.00 59.48 1.02 90 K E E 104.85 8.81 12.55 22.73 116.55 -126.56 -91.49 131.42 8.76 91.22 0.01 7.87 0.54 0.04 0.00 0.01 0.00 91.18 0.37 91 I E E 36.91 12.02 15.97 29.76 127.40 -174.05 -124.99 144.06 4.29 95.71 0.00 3.84 0.20 0.01 0.00 0.00 0.00 95.89 0.06 92 R E E 70.76 12.54 19.08 32.38 116.24 -132.43 -96.82 130.24 2.21 97.79 0.00 1.93 0.09 0.00 0.00 0.00 0.00 97.95 0.03 93 V E E 21.05 13.69 18.80 34.06 128.85 -172.70 -127.01 143.67 0.51 99.49 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.32 0.19 94 F E E 23.12 15.16 15.07 32.08 110.48 -116.11 -76.02 125.72 4.85 95.14 0.01 4.57 0.16 0.02 0.00 0.00 0.00 94.34 0.90 95 K C T 94.00 10.09 16.52 27.52 94.33 -145.69 -65.85 -31.97 98.56 0.82 0.62 0.83 3.03 94.87 0.02 0.58 0.00 0.60 0.08 96 S C T 74.54 3.84 16.77 21.27 97.50 46.59 -76.44 -38.61 98.85 0.31 0.84 0.30 2.06 96.61 0.02 0.78 0.00 0.15 0.10 97 T C T 71.41 4.34 14.77 20.22 101.25 21.24 -107.61 -11.72 99.23 0.18 0.59 0.83 2.99 95.38 0.02 0.62 0.00 0.11 0.04 98 Q C C 105.00 8.69 12.69 22.72 94.46 -128.88 67.30 19.87 99.08 0.69 0.24 64.12 7.44 27.50 0.05 0.19 0.00 0.55 0.15 99 K C C 114.60 3.02 17.56 21.46 119.58 138.14 -85.89 144.61 76.46 23.50 0.05 68.21 7.17 0.27 0.01 0.04 0.00 23.28 1.02 100 P E E 77.72 8.41 14.40 24.05 113.76 -106.28 -67.35 141.50 2.94 97.02 0.04 2.71 0.15 0.01 0.06 0.01 0.00 55.55 41.51 101 V C C 43.42 15.35 9.87 24.98 114.12 -141.59 -93.70 131.37 73.71 26.21 0.07 73.34 0.71 0.14 0.02 0.04 0.00 25.03 0.72 102 Q C C 139.20 2.14 17.80 20.27 107.34 -119.68 -79.28 114.42 99.56 0.43 0.00 99.54 0.09 0.02 0.00 0.00 0.00 0.34 0.01