# 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 G C C 39.16 5.88 13.01 20.23 123.94 -129.36 101.92 172.86 99.91 0.07 0.02 99.53 0.32 0.09 0.01 0.00 0.00 0.03 0.01 1 P C C 107.25 2.59 11.93 15.75 108.90 -62.44 -73.13 141.44 92.82 1.00 6.17 71.31 2.95 19.11 1.20 4.38 0.00 0.62 0.44 2 G C C 56.92 2.88 10.52 14.76 107.05 -10.03 -66.52 55.29 89.51 3.34 7.15 50.15 12.50 26.99 1.13 6.04 0.00 1.89 1.29 3 M C C 115.41 6.15 8.54 15.89 111.65 124.47 -91.82 120.81 84.94 6.86 8.21 50.81 16.51 17.53 1.54 6.95 0.00 3.88 2.78 4 G C C 45.85 4.23 10.76 16.49 120.18 -141.76 -90.63 171.90 86.77 8.26 4.96 52.47 20.08 14.30 1.18 3.95 0.00 4.99 3.01 5 K C C 155.34 2.09 10.97 14.50 113.72 -73.05 -84.53 138.04 85.10 10.54 4.35 62.89 17.38 4.49 1.71 2.66 0.00 6.35 4.51 6 R C C 155.36 4.13 8.54 14.63 114.84 -124.84 -86.03 137.76 83.69 12.49 3.82 70.93 9.10 2.47 2.19 1.72 0.00 6.88 6.69 7 K C C 144.40 2.94 9.45 14.23 112.26 -119.15 -82.56 138.12 83.68 9.25 7.08 72.34 6.90 3.61 4.07 3.07 0.00 5.37 4.64 8 S C C 83.68 2.73 8.89 13.28 108.55 -136.71 -88.03 108.89 82.02 5.24 12.74 61.66 11.56 8.44 5.07 7.84 0.00 3.14 2.28 9 S C C 79.93 3.42 8.35 13.39 106.01 111.91 -87.23 54.01 80.02 4.31 15.68 48.69 17.73 13.65 4.57 11.08 0.01 2.50 1.78 10 A C C 86.16 2.25 8.70 12.42 102.33 86.08 -82.47 4.82 83.57 3.90 12.53 45.09 26.30 12.66 3.56 8.50 0.01 2.15 1.73 11 R C C 161.72 2.58 8.90 13.24 113.91 103.84 -89.63 130.87 93.18 2.80 4.02 51.92 37.65 3.91 1.53 2.10 0.00 1.21 1.68 12 K C C 152.88 2.00 10.48 13.90 115.49 -110.54 -82.19 139.79 98.78 0.93 0.30 84.18 14.14 0.52 0.13 0.14 0.00 0.42 0.46 13 P C C 90.34 5.27 9.21 16.41 114.21 -105.20 -67.69 147.63 98.77 0.97 0.26 93.57 4.59 0.59 0.09 0.12 0.00 0.36 0.67 14 A C C 65.55 5.13 9.75 16.69 116.68 -106.06 -72.26 151.85 98.90 0.89 0.21 93.39 5.19 0.35 0.08 0.09 0.00 0.37 0.52 15 P C C 104.37 2.40 12.07 15.73 112.97 -98.40 -67.39 147.61 98.30 1.05 0.65 90.14 6.65 1.57 0.17 0.44 0.00 0.55 0.49 16 K C C 136.81 5.04 8.87 15.85 113.91 -109.54 -80.98 137.14 93.80 5.29 0.90 86.02 6.16 1.39 0.31 0.56 0.00 2.77 2.79 17 I C C 105.76 5.15 9.51 16.38 113.57 -136.12 -91.72 133.10 91.69 7.49 0.83 85.00 5.72 0.92 0.33 0.46 0.00 4.05 3.53 18 K C C 148.89 3.08 10.31 15.17 112.26 -145.49 -92.16 125.93 93.32 5.82 0.86 81.20 10.79 1.20 0.33 0.51 0.00 3.69 2.28 19 Q C C 118.44 3.38 11.17 16.33 117.47 -141.49 -92.79 137.72 94.16 5.16 0.68 83.41 9.84 1.00 0.23 0.42 0.00 3.61 1.49 20 K C C 144.27 3.56 12.26 17.50 114.50 -114.22 -75.81 141.00 86.67 12.19 1.14 78.62 6.12 1.25 0.49 0.65 0.00 6.08 6.79 21 L C C 61.32 12.72 8.43 21.35 115.84 -117.93 -83.12 141.88 91.82 7.35 0.83 83.23 7.21 1.29 0.30 0.51 0.00 4.59 2.87 22 E C C 140.11 2.47 16.05 19.02 104.05 -124.54 -78.72 57.19 93.08 6.46 0.46 74.57 16.74 1.84 0.11 0.36 0.00 5.56 0.82 23 T C C 61.78 9.22 13.23 23.57 127.97 87.66 -124.24 151.51 70.09 29.44 0.47 51.36 17.15 1.90 0.12 0.43 0.00 26.91 2.13 24 Q E E 102.02 7.68 15.68 24.90 124.54 -142.38 -118.15 139.89 40.89 58.85 0.26 35.53 4.20 0.40 0.10 0.19 0.00 53.69 5.88 25 F E E 45.83 14.27 15.04 30.13 131.17 -174.60 -131.98 150.35 38.67 61.19 0.14 33.42 4.50 0.20 0.08 0.09 0.00 56.17 5.55 26 T C C 75.19 5.74 21.97 28.13 116.72 -118.47 -91.91 136.34 53.53 46.29 0.17 50.28 2.78 0.17 0.12 0.09 0.00 35.54 11.01 27 C C C 8.33 21.83 10.99 33.14 109.85 -115.83 -75.23 127.63 89.94 9.91 0.15 88.53 1.99 0.21 0.06 0.07 0.00 5.61 3.54 28 L C T 84.61 6.66 19.97 27.72 93.24 -147.39 -68.51 -26.62 97.11 0.79 2.10 1.61 16.85 78.19 0.07 2.50 0.00 0.47 0.31 29 F C T 87.17 10.66 17.04 28.01 99.65 44.85 -84.83 -38.78 97.94 0.26 1.80 0.36 10.34 86.87 0.02 2.20 0.00 0.13 0.09 30 C C T 45.56 9.70 14.57 25.64 103.16 22.32 -108.03 -7.26 97.41 0.79 1.80 2.76 19.71 74.25 0.04 2.49 0.00 0.42 0.31 31 N C C 111.34 4.27 16.81 22.60 94.05 -123.55 64.38 26.62 96.90 2.68 0.41 73.41 13.55 9.84 0.10 0.39 0.00 1.32 1.39 32 H C C 67.23 10.03 12.40 23.90 119.09 142.55 -86.27 145.26 81.84 17.17 0.99 60.23 17.75 2.90 0.30 0.88 0.00 8.05 9.89 33 D C T 105.97 3.38 18.32 22.45 95.28 -125.54 -71.19 -27.19 79.41 19.08 1.51 5.35 30.41 45.44 0.09 1.60 0.01 15.31 1.80 34 N C T 86.75 7.01 20.10 27.45 117.24 26.97 -117.83 110.64 79.28 19.93 0.79 9.00 30.45 40.06 0.03 0.98 0.00 18.91 0.57 35 S C E 20.16 16.24 16.75 33.12 121.33 -117.21 -93.82 152.93 52.27 47.58 0.15 46.76 3.90 0.42 0.02 0.15 0.00 47.90 0.84 36 V E E 11.67 21.67 16.86 38.63 126.18 -126.66 -119.80 139.25 1.57 98.43 0.00 1.54 0.05 0.00 0.00 0.00 0.00 98.18 0.22 37 V E E 58.01 8.27 25.85 34.65 119.04 -152.34 -109.56 129.88 0.43 99.57 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 38 C E E 12.35 23.44 14.03 37.19 125.56 -168.33 -121.48 139.22 0.71 99.28 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.28 0.01 39 T E E 65.44 5.29 25.81 31.31 120.77 -165.54 -117.14 132.09 0.56 99.44 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.47 0.01 40 L E E 38.33 19.39 12.73 31.81 116.32 -145.50 -100.97 126.46 0.80 99.20 0.00 0.72 0.04 0.00 0.00 0.00 0.00 99.21 0.02 41 D E E 54.58 5.43 17.75 24.91 109.94 -160.84 -111.53 107.70 5.96 94.02 0.03 5.73 0.22 0.03 0.01 0.01 0.00 93.65 0.35 42 K C T 119.07 7.88 11.71 21.59 93.23 -170.44 -66.14 -31.46 90.26 0.81 8.93 0.96 3.01 85.99 0.22 9.11 0.00 0.59 0.12 43 K C T 172.26 0.45 15.14 13.18 91.77 54.46 -66.64 -36.83 90.90 0.31 8.79 0.49 2.46 87.66 0.19 8.92 0.00 0.19 0.08 44 N C T 92.82 3.16 14.99 18.78 95.31 32.20 -93.67 -7.71 93.18 0.14 6.68 0.59 2.40 89.19 0.12 7.58 0.00 0.08 0.04 45 S C T 35.28 12.15 14.17 27.95 93.87 -126.97 60.51 37.33 99.57 0.19 0.24 2.34 2.21 95.10 0.04 0.13 0.00 0.16 0.02 46 I E E 40.60 10.31 20.25 32.20 130.85 129.76 -127.85 148.06 1.40 98.60 0.00 1.24 0.06 0.00 0.00 0.00 0.00 98.61 0.09 47 G E E 5.06 19.69 17.83 37.64 136.41 156.24 -139.17 164.08 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 48 L E E 49.00 10.20 25.65 36.77 122.85 -137.51 -118.97 134.71 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 49 L E E 6.22 24.07 17.28 41.89 122.88 -167.57 -118.37 132.73 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 50 E E E 70.74 7.54 25.40 33.52 118.73 -159.06 -113.62 127.07 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 51 C E E 6.88 20.86 12.24 34.12 109.48 -135.32 -78.27 121.90 5.38 94.61 0.00 5.28 0.11 0.01 0.00 0.00 0.00 94.39 0.21 52 K C T 112.71 5.29 19.31 25.72 93.91 -156.85 -70.70 -27.87 98.07 0.41 1.53 0.33 3.43 94.75 0.04 1.09 0.00 0.31 0.06 53 K C T 107.78 6.25 17.09 24.25 98.56 45.83 -80.94 -41.47 98.14 0.19 1.67 0.18 2.81 95.58 0.04 1.24 0.00 0.09 0.06 54 C C T 56.88 7.40 14.35 23.29 101.88 20.70 -107.11 -8.98 98.37 0.14 1.49 0.62 3.47 94.51 0.08 1.21 0.00 0.07 0.05 55 N C C 113.96 3.56 16.73 21.70 94.11 -124.28 65.13 25.80 99.13 0.44 0.43 59.61 5.99 33.62 0.14 0.22 0.00 0.34 0.09 56 L C C 55.83 10.38 13.54 25.61 117.48 152.53 -77.93 141.18 76.04 23.93 0.03 75.32 0.93 0.07 0.01 0.02 0.00 23.05 0.60 57 S E E 62.43 9.03 16.96 27.56 127.49 -164.42 -124.55 144.20 1.70 98.30 0.00 1.56 0.08 0.00 0.00 0.00 0.00 98.23 0.12 58 F E E 53.86 14.37 16.39 31.51 136.57 174.77 -143.70 153.36 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.01 59 Q E E 96.00 9.79 17.85 29.06 127.96 -160.09 -128.15 140.90 0.97 99.03 0.00 0.89 0.04 0.00 0.00 0.00 0.00 99.03 0.04 60 A E E 23.23 13.76 15.99 30.95 132.81 168.84 -140.47 152.57 12.53 87.46 0.02 12.00 0.41 0.03 0.00 0.01 0.00 87.39 0.16 61 P E E 82.48 4.59 21.70 26.29 113.25 -103.82 -70.67 141.90 26.14 73.73 0.12 23.70 1.87 0.22 0.04 0.08 0.00 73.29 0.81 62 I C C 35.60 19.46 10.78 29.32 116.84 -150.87 -104.65 127.88 70.62 26.32 3.06 64.54 3.91 1.46 1.26 1.73 0.00 23.63 3.47 63 N C C 95.29 4.10 17.99 22.59 106.27 169.69 -98.70 6.79 76.31 10.68 13.02 51.17 14.83 10.39 3.36 10.06 0.01 7.42 2.76 64 S C T 61.42 6.37 15.44 22.56 111.87 26.00 -94.39 128.47 69.29 4.46 26.25 23.08 17.76 30.06 5.12 19.62 0.04 2.39 1.91 65 L C T 95.44 9.00 11.63 21.46 96.91 -115.77 -78.02 -8.56 72.62 3.15 24.22 20.33 16.36 36.86 4.91 18.25 0.04 1.66 1.59 66 S C T 76.41 4.02 14.10 19.28 98.37 68.00 -86.18 -7.76 75.37 3.53 21.10 25.42 23.42 27.99 4.70 14.90 0.03 1.68 1.87 67 Q C S 93.42 5.77 13.00 20.41 119.01 88.28 -96.46 140.07 89.07 3.35 7.58 28.43 53.94 6.80 5.28 2.20 0.01 1.53 1.82 68 P C C 88.09 5.56 14.38 21.14 105.95 -106.44 -68.25 123.34 74.98 6.59 18.42 43.82 21.15 10.39 14.25 4.33 0.04 3.74 2.29 69 I C C 67.46 12.39 12.27 25.03 114.67 -143.75 -98.16 127.46 55.03 21.12 23.85 38.23 11.02 5.80 20.28 4.05 0.14 12.56 7.92 70 D C C 77.05 5.98 18.79 25.40 104.96 -138.18 -83.48 84.28 59.64 16.93 23.42 52.14 3.45 3.61 21.03 3.07 0.02 12.55 4.15 71 I H H 41.07 14.94 15.47 30.75 95.07 132.39 -67.53 -36.81 19.17 2.80 78.03 11.22 3.22 6.01 73.54 3.22 0.07 2.13 0.59 72 Y H H 83.72 12.32 17.21 29.64 92.11 53.56 -63.71 -41.74 7.57 0.60 91.82 2.74 1.12 4.10 88.71 2.69 0.05 0.45 0.15 73 S H H 53.31 4.34 19.89 24.58 92.10 51.45 -65.30 -40.37 3.30 0.10 96.60 1.19 0.43 1.74 94.26 2.27 0.01 0.06 0.03 74 D H H 64.16 6.85 19.60 27.01 92.19 50.85 -65.99 -40.49 1.84 0.04 98.12 0.57 0.24 1.02 97.28 0.85 0.00 0.02 0.01 75 W H H 46.91 15.81 16.80 32.85 92.55 50.15 -65.10 -42.68 0.93 0.02 99.05 0.22 0.10 0.55 98.83 0.28 0.00 0.01 0.00 76 I H H 63.04 9.19 19.07 29.02 91.46 49.87 -63.04 -42.85 0.29 0.00 99.71 0.07 0.03 0.15 99.69 0.06 0.00 0.00 0.00 77 D H H 83.55 2.32 22.21 23.31 91.81 49.36 -64.37 -41.52 0.24 0.00 99.75 0.04 0.02 0.14 99.77 0.03 0.00 0.00 0.00 78 A H H 33.44 8.11 18.74 28.05 91.83 50.30 -64.47 -41.74 0.21 0.00 99.79 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 79 C H H 26.12 13.51 16.36 30.75 91.80 50.10 -64.13 -42.34 0.20 0.00 99.80 0.03 0.01 0.13 99.81 0.03 0.00 0.00 0.00 80 E H H 97.63 4.02 20.06 24.16 91.64 49.93 -63.88 -41.13 0.26 0.00 99.74 0.03 0.02 0.16 99.75 0.03 0.00 0.00 0.00 81 A H H 53.86 2.55 19.10 21.26 91.74 50.40 -64.13 -41.76 0.53 0.00 99.47 0.06 0.03 0.36 99.48 0.06 0.00 0.00 0.00 82 V H H 49.74 7.50 15.93 24.87 92.14 49.60 -64.88 -41.65 1.07 0.01 98.93 0.18 0.08 0.66 98.94 0.13 0.00 0.00 0.00 83 A H H 44.27 6.77 14.39 22.63 91.91 50.90 -64.55 -40.30 2.68 0.02 97.30 0.61 0.23 1.58 97.26 0.30 0.00 0.01 0.00 84 E H H 122.62 1.63 15.96 17.01 92.47 50.32 -65.66 -39.27 6.56 0.08 93.36 1.50 0.68 4.19 92.85 0.70 0.01 0.03 0.03 85 E H H 118.25 2.21 14.36 16.80 93.28 50.63 -67.42 -37.12 12.08 0.17 87.75 3.00 1.48 7.47 86.83 1.04 0.03 0.08 0.07 86 N H H 89.44 4.74 12.06 18.03 95.32 50.37 -72.88 -26.54 24.72 0.45 74.83 9.46 3.73 11.87 72.72 1.76 0.04 0.20 0.21 87 A H H 70.26 3.66 11.11 16.26 96.55 66.80 -70.98 -25.11 37.41 0.94 61.65 16.94 6.12 15.38 57.69 2.97 0.04 0.45 0.41 88 D C H 114.58 1.56 11.87 13.87 98.83 55.10 -85.73 -0.09 50.54 1.55 47.90 25.72 6.86 18.73 43.85 3.39 0.03 0.77 0.64 89 V C C 95.23 4.17 8.76 14.67 107.86 99.15 -89.49 92.54 62.00 2.43 35.57 34.82 11.08 16.05 32.52 3.31 0.03 1.13 1.06 90 N C C 124.56 1.79 10.46 13.32 107.45 -140.99 -90.33 86.97 78.28 2.15 19.57 44.68 12.17 20.82 16.98 3.25 0.01 1.08 1.00 91 G C C 50.34 3.47 9.48 14.62 112.14 27.92 59.28 152.66 85.56 1.86 12.57 44.16 18.23 23.68 6.79 5.26 0.01 0.93 0.93 92 D C C 115.07 2.22 10.22 13.58 107.17 -92.13 -86.39 87.85 82.64 2.31 15.05 39.24 20.19 23.88 6.51 7.90 0.01 1.17 1.09 93 N C C 112.75 3.03 10.01 14.47 108.03 147.30 -92.48 90.82 76.99 5.21 17.81 39.19 18.74 19.99 7.98 9.23 0.04 3.06 1.77 94 F C C 129.04 5.35 8.90 15.90 111.76 152.75 -93.74 116.99 65.37 14.94 19.69 42.61 13.54 9.28 11.73 8.34 0.10 10.43 3.97 95 I C C 106.45 4.64 9.99 16.35 114.85 -155.20 -98.84 128.36 60.96 19.99 19.05 43.17 10.54 6.59 13.83 6.13 0.10 15.22 4.42 96 E C C 132.38 3.25 10.95 15.92 110.56 -148.87 -91.04 122.59 65.19 15.87 18.94 43.83 11.84 8.98 13.94 5.79 0.09 12.16 3.37 97 N C C 103.73 4.57 9.69 15.80 109.23 -145.47 -90.69 104.13 75.68 7.95 16.37 45.34 16.44 14.01 10.98 5.59 0.05 5.33 2.26 98 D C C 101.24 3.55 10.10 15.26 103.83 133.28 -89.32 21.46 79.88 3.81 16.31 44.74 18.62 16.75 10.40 5.84 0.02 2.09 1.53 99 G C C 45.68 4.34 10.72 16.56 104.86 -94.27 59.46 -13.47 70.67 2.68 26.65 33.21 17.33 21.16 14.09 11.55 0.04 1.29 1.34 100 A C C 74.76 3.49 10.39 15.37 103.19 82.32 -78.04 3.37 60.21 3.37 36.42 29.01 13.04 18.80 18.55 17.22 0.07 1.83 1.47 101 D C C 99.28 3.59 10.18 15.41 104.72 64.56 -85.82 44.14 57.81 4.62 37.58 31.85 10.88 15.44 19.81 17.48 0.07 2.68 1.77 102 R C C 142.94 4.75 9.81 16.25 107.93 123.99 -87.41 105.07 58.00 4.95 37.05 34.01 11.73 12.50 22.24 14.70 0.06 2.90 1.87 103 E C C 126.19 3.78 9.89 15.39 111.98 -139.29 -92.11 122.45 66.65 4.56 28.79 42.37 11.16 13.01 18.67 10.27 0.03 2.60 1.89 104 Q C C 122.57 3.58 9.79 15.27 113.54 -147.36 -90.63 131.34 73.87 3.54 22.59 46.24 15.01 12.82 14.22 8.21 0.02 1.86 1.62 105 D C C 101.14 3.90 9.20 14.99 112.13 -140.13 -90.66 125.36 77.49 2.99 19.51 46.04 14.32 17.41 10.94 8.28 0.01 1.55 1.44 106 D C C 103.13 3.50 9.34 14.66 110.47 -155.58 -90.98 111.14 77.53 3.35 19.12 43.65 16.26 18.08 9.13 9.54 0.01 1.75 1.57 107 D C C 102.74 3.22 9.56 14.47 108.92 -157.59 -89.26 111.77 76.73 4.63 18.63 48.81 13.00 14.96 8.46 10.12 0.01 2.61 2.02 108 Y C C 145.91 4.46 8.21 14.31 111.91 -153.01 -94.73 124.55 70.76 6.06 23.18 43.24 12.90 14.71 9.56 13.57 0.02 3.50 2.50 109 D C C 103.76 2.96 8.94 13.60 108.72 -147.01 -87.99 106.81 71.40 4.66 23.94 38.93 14.82 18.27 7.87 15.68 0.02 2.75 1.67 110 D C C 105.29 2.95 8.15 12.83 107.98 -149.78 -89.17 86.31 73.73 4.55 21.72 40.65 14.91 18.84 5.75 15.57 0.01 2.72 1.54 111 E C C 137.72 2.42 8.37 12.44 108.76 96.24 -90.01 94.96 83.27 4.28 12.45 69.66 2.93 11.92 4.62 6.38 0.00 2.73 1.76 112 F C C 130.78 5.30 9.42 16.32 109.51 -151.48 -90.84 104.74 99.68 0.26 0.07 99.48 0.19 0.12 0.03 0.01 0.00 0.14 0.04