# 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 86.06 12.45 14.69 27.15 121.04 -150.01 -107.27 134.65 99.75 0.25 0.00 99.77 0.05 0.01 0.00 0.00 0.00 0.17 0.00 1 I E E 67.26 10.42 15.68 27.34 120.81 -163.17 -113.39 131.84 21.10 78.85 0.05 21.23 0.33 0.05 0.02 0.02 0.00 77.49 0.86 2 E E E 105.38 8.31 17.21 26.90 118.94 -153.51 -107.44 128.64 11.80 88.16 0.05 11.41 0.35 0.04 0.02 0.02 0.00 87.71 0.44 3 L E E 23.41 19.36 13.75 33.17 120.03 -165.72 -112.28 129.32 20.80 79.15 0.06 20.11 0.49 0.04 0.02 0.02 0.00 79.07 0.25 4 E E E 115.18 4.08 24.18 28.66 112.66 -130.39 -79.98 131.29 34.81 65.07 0.13 33.80 0.83 0.12 0.04 0.06 0.00 64.69 0.47 5 V C C 14.46 24.12 11.08 34.71 119.22 -156.51 -104.16 132.17 74.79 24.88 0.32 72.54 2.08 0.44 0.12 0.19 0.00 22.17 2.47 6 L C C 66.50 7.66 19.67 28.16 121.02 -140.59 -95.09 152.18 90.87 8.83 0.30 87.33 3.07 0.72 0.10 0.19 0.00 7.26 1.33 7 D C C 104.05 5.97 16.48 24.05 102.93 -121.62 -86.62 63.83 97.30 2.40 0.30 50.68 43.98 2.82 0.05 0.27 0.00 1.72 0.47 8 E C S 92.08 5.99 16.39 23.89 126.60 111.56 -109.78 153.34 97.12 2.50 0.38 42.10 52.52 2.74 0.07 0.34 0.00 1.37 0.86 9 S C T 66.75 6.12 17.31 24.15 108.72 -96.54 -68.32 138.43 98.08 1.30 0.62 3.82 26.93 67.36 0.02 0.73 0.00 0.97 0.17 10 K C T 99.72 9.47 17.30 27.28 101.44 18.24 53.06 46.13 89.37 10.15 0.49 11.22 13.22 64.58 0.02 0.68 0.00 10.03 0.27 11 Q E E 31.43 17.01 14.79 32.06 118.99 161.26 -100.16 138.01 20.27 79.68 0.06 17.92 1.68 0.15 0.01 0.05 0.00 79.84 0.36 12 K E E 98.87 9.19 21.72 31.88 129.13 -172.85 -131.69 140.90 1.52 98.47 0.00 1.42 0.05 0.00 0.00 0.00 0.00 98.48 0.05 13 F E E 28.25 19.11 17.01 35.95 134.83 170.40 -140.55 152.64 0.59 99.41 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.45 0.00 14 S E E 49.95 9.07 23.00 32.48 126.67 -155.16 -119.43 139.13 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 15 V E E 12.07 21.06 15.42 36.58 131.64 -176.90 -133.49 148.69 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 16 I E E 80.15 6.46 22.43 29.57 116.47 -137.44 -104.91 126.06 0.58 99.41 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.47 0.01 17 L E E 13.79 22.08 11.82 33.47 117.47 -177.12 -122.51 117.92 5.17 94.77 0.06 3.73 0.83 0.20 0.01 0.03 0.00 95.00 0.20 18 N C T 92.87 7.39 15.92 24.29 96.65 -24.38 53.41 37.98 99.28 0.51 0.21 0.51 5.39 93.43 0.01 0.20 0.00 0.41 0.04 19 D C T 127.75 1.34 16.47 17.62 94.82 -42.61 56.27 12.56 99.67 0.19 0.14 0.54 5.43 93.72 0.00 0.13 0.00 0.15 0.02 20 R E E 83.15 11.64 13.21 25.85 124.59 107.18 -109.62 142.06 5.08 94.86 0.06 3.20 1.42 0.25 0.01 0.04 0.00 94.94 0.13 21 R E E 114.57 7.15 20.53 28.51 115.88 -132.93 -97.35 128.52 1.10 98.89 0.00 0.92 0.04 0.00 0.00 0.00 0.00 99.02 0.01 22 V E E 6.11 23.59 15.34 39.43 127.44 -172.63 -124.97 139.88 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.73 0.00 23 T E E 29.80 9.81 26.13 37.32 117.15 -151.79 -107.90 128.46 0.08 99.92 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 24 I E E 3.00 26.29 18.76 45.85 122.11 -166.84 -115.74 132.20 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 25 E E E 40.74 11.72 28.00 40.69 120.89 -166.47 -115.43 132.01 0.08 99.92 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 26 L E E 3.49 26.09 19.92 46.62 120.35 -162.76 -111.36 130.02 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 27 W E E 68.40 11.85 27.35 39.70 126.53 -173.66 -126.00 137.79 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 28 Y E E 41.19 19.56 18.41 37.63 116.69 -141.99 -97.40 129.86 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 29 N E E 26.98 12.32 16.87 31.28 109.97 -157.36 -109.47 104.58 5.60 94.39 0.01 5.13 0.22 0.01 0.00 0.00 0.00 94.46 0.17 30 T C T 81.75 6.76 15.19 23.85 93.75 -172.83 -66.86 -30.06 91.68 0.54 7.78 0.74 4.28 86.22 0.12 8.17 0.00 0.37 0.10 31 T C T 107.23 1.22 16.12 16.68 93.71 53.87 -69.28 -37.80 91.75 0.22 8.03 0.48 3.76 86.95 0.12 8.49 0.00 0.13 0.07 32 N C T 74.80 6.59 14.15 22.20 97.40 29.02 -98.80 -7.74 93.16 0.08 6.76 0.64 2.84 88.84 0.11 7.51 0.00 0.04 0.03 33 D C T 80.89 8.21 17.13 26.84 94.17 -128.60 56.85 42.21 99.68 0.07 0.25 4.54 2.69 92.52 0.04 0.15 0.00 0.05 0.01 34 R E E 52.54 13.00 21.08 34.62 141.04 111.35 -143.26 163.43 6.50 93.50 0.01 5.30 0.63 0.04 0.00 0.00 0.00 93.87 0.16 35 W E E 7.21 24.77 19.56 44.92 118.86 -113.50 -92.73 137.90 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 36 S E E 13.15 17.09 27.07 43.92 128.68 -166.18 -123.83 144.24 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 37 F E E 2.93 26.49 21.78 48.64 127.95 -169.08 -128.93 142.53 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 38 S E E 14.00 15.42 27.54 43.37 124.73 -159.35 -115.76 142.10 0.13 99.87 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 39 L E E 3.26 25.45 20.12 46.29 120.04 -155.77 -112.90 130.51 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 40 A E E 19.60 11.85 22.82 35.86 130.88 -174.71 -126.63 151.93 0.37 99.63 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.68 0.01 41 L E E 40.34 15.86 14.10 30.20 120.26 -161.11 -127.42 121.87 3.36 96.61 0.02 1.91 0.87 0.29 0.00 0.02 0.00 96.71 0.19 42 D C T 125.14 1.42 15.72 17.29 92.56 -15.27 53.58 40.79 99.35 0.48 0.17 0.46 4.14 94.82 0.00 0.15 0.00 0.39 0.03 43 G C T 58.38 2.51 13.77 17.40 94.75 -53.36 80.88 1.34 99.75 0.10 0.15 0.55 4.57 94.66 0.01 0.13 0.00 0.07 0.01 44 D E E 93.32 2.78 16.83 20.75 119.54 115.38 -102.16 134.99 6.95 93.01 0.03 4.12 2.97 0.23 0.01 0.02 0.00 91.94 0.71 45 N E E 74.08 12.82 14.77 27.91 109.95 -114.14 -71.01 125.22 2.63 97.37 0.01 2.24 0.13 0.01 0.00 0.00 0.00 97.54 0.06 46 V E E 32.95 15.58 18.72 34.70 100.44 176.17 -96.73 -29.06 6.02 93.94 0.04 3.52 2.22 0.27 0.01 0.03 0.00 93.85 0.10 47 V E E 9.30 23.21 17.13 40.20 128.08 15.13 -136.22 134.94 1.46 98.52 0.03 0.99 0.32 0.06 0.01 0.01 0.00 98.56 0.05 48 T E E 63.75 11.09 23.13 33.97 125.28 -170.88 -122.64 134.37 4.57 95.35 0.08 1.97 1.53 0.92 0.01 0.05 0.00 95.45 0.06 49 G E E 31.60 10.85 22.69 33.52 98.15 18.24 82.47 -1.74 17.72 82.22 0.05 4.98 8.97 3.07 0.00 0.05 0.00 82.85 0.08 50 R E E 69.43 15.58 22.04 36.93 118.76 140.79 -89.82 136.84 5.43 94.55 0.01 5.09 0.30 0.02 0.00 0.00 0.00 94.48 0.12 51 R E E 78.23 14.59 26.03 40.03 113.71 -111.86 -72.05 138.00 2.57 97.40 0.03 2.55 0.10 0.01 0.02 0.01 0.00 93.68 3.63 52 L C C 1.33 28.60 18.95 48.78 111.22 -142.57 -94.95 121.75 71.42 28.48 0.10 63.72 7.44 0.34 0.03 0.08 0.00 27.10 1.29 53 V C C 30.64 13.96 26.32 40.70 129.20 97.28 -125.60 146.78 65.82 34.02 0.17 53.86 13.85 0.53 0.08 0.12 0.00 18.69 12.87 54 T C T 45.72 16.38 18.84 34.81 110.08 -91.24 -62.05 134.34 96.75 2.84 0.41 0.74 5.22 91.51 0.03 0.29 0.00 1.76 0.44 55 G C T 39.92 7.22 22.41 30.47 95.08 18.69 86.75 -4.64 99.05 0.81 0.14 1.42 6.96 90.65 0.01 0.14 0.00 0.76 0.06 56 V C C 44.38 14.27 19.98 34.40 117.67 114.57 -105.88 128.62 77.18 22.62 0.20 44.18 33.38 0.78 0.08 0.16 0.00 15.07 6.36 57 D E C 49.09 14.23 22.95 36.77 106.76 -123.74 -78.30 112.71 48.83 50.97 0.20 47.99 0.67 0.15 0.12 0.07 0.00 18.99 32.01 58 L C T 5.81 24.86 20.47 45.32 95.78 170.79 -79.26 -23.15 91.22 3.97 4.81 13.00 18.80 58.98 1.05 4.10 0.01 2.69 1.38 59 L C T 4.87 24.73 17.00 42.21 95.50 54.15 -90.07 -6.61 83.01 5.90 11.10 10.04 16.27 55.83 3.35 7.53 0.28 2.93 3.78 60 A H G 48.62 11.08 18.37 30.19 91.67 91.54 -59.25 -37.75 20.38 0.38 79.24 3.60 2.21 12.99 2.28 78.59 0.00 0.26 0.07 61 P H G 83.65 6.11 19.25 26.20 90.24 56.90 -69.38 -20.88 19.00 0.30 80.70 1.54 1.81 14.36 2.69 79.33 0.00 0.20 0.06 62 F H G 47.71 17.05 14.01 30.88 97.38 54.57 -91.46 2.17 23.94 0.33 75.73 1.82 3.42 17.51 2.19 74.77 0.00 0.17 0.12 63 G C T 56.61 2.87 20.96 24.11 95.03 -114.49 69.41 30.17 91.77 0.75 7.48 15.96 10.62 64.22 1.03 7.30 0.00 0.38 0.48 64 L C C 29.66 18.98 13.43 32.05 99.62 137.82 -93.36 -2.90 93.81 3.56 2.62 69.90 15.26 7.79 0.64 2.13 0.00 1.42 2.86 65 G C C 37.69 5.72 22.40 28.55 113.34 -122.74 78.91 11.19 96.21 2.54 1.25 54.74 30.34 10.96 0.18 1.27 0.00 1.37 1.14 66 I C S 69.48 14.01 19.49 32.73 115.47 -12.17 -92.64 135.46 91.19 7.30 1.51 38.18 39.25 13.99 0.22 1.50 0.00 4.67 2.19 67 G C S 15.44 15.29 20.64 35.37 123.10 37.40 104.78 -167.99 82.90 16.31 0.78 36.84 38.89 7.19 0.08 0.85 0.00 15.00 1.15 68 A E E 26.52 15.23 24.88 39.78 124.95 -60.31 -112.63 145.66 34.53 65.00 0.47 26.53 7.12 0.98 0.06 0.43 0.00 64.18 0.69 69 L E E 8.53 24.30 22.06 46.05 125.04 -161.05 -119.56 136.58 2.83 97.15 0.01 2.41 0.20 0.01 0.00 0.01 0.00 97.28 0.10 70 F E E 17.65 20.07 27.27 46.49 126.26 -168.02 -122.55 139.26 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 71 L E E 4.93 24.52 23.47 48.01 117.26 -145.58 -101.02 130.50 0.52 99.48 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.47 0.04 72 L E E 24.76 17.26 24.00 40.86 120.34 -164.72 -112.87 133.34 16.16 83.79 0.05 14.75 1.08 0.09 0.01 0.03 0.00 83.58 0.45 73 S C C 23.33 15.82 17.49 33.44 122.41 -155.60 -109.75 143.57 69.08 30.43 0.49 55.13 10.65 1.97 0.08 0.45 0.00 30.75 0.95 74 E C C 104.54 8.57 16.45 25.70 105.43 -141.41 -93.76 35.96 90.66 7.32 2.01 48.28 26.29 16.43 0.25 2.10 0.00 5.25 1.40 75 N C T 123.77 2.27 16.49 19.08 99.50 2.40 -74.13 24.36 96.41 1.57 2.02 24.04 31.03 41.09 0.18 2.17 0.00 0.95 0.54 76 G C S 46.73 6.47 13.88 21.49 98.67 -70.39 83.56 4.01 97.42 1.25 1.34 30.03 38.93 28.10 0.10 1.68 0.00 0.75 0.42 77 E C S 100.58 5.08 17.51 23.92 119.70 132.17 -90.27 143.11 96.25 3.56 0.19 43.45 52.48 0.64 0.04 0.14 0.00 1.26 1.98 78 P C C 70.83 9.22 19.92 29.43 114.78 -99.70 -67.29 145.07 98.55 1.40 0.05 90.96 7.38 0.30 0.01 0.04 0.00 0.64 0.65 79 P C C 11.58 23.96 12.72 36.74 109.91 -108.32 -69.68 132.45 97.91 1.94 0.15 91.66 5.52 0.55 0.04 0.10 0.00 0.66 1.48 80 T C C 51.65 6.06 24.73 30.99 136.22 169.67 -135.06 168.21 80.40 19.29 0.30 63.48 11.73 0.29 0.16 0.11 0.00 2.17 22.08 81 R C G 98.56 16.06 14.42 29.80 91.37 -97.09 -60.90 -32.02 51.40 0.58 48.02 1.91 6.80 41.14 1.58 47.98 0.00 0.32 0.25 82 A C G 87.93 1.72 19.95 21.21 90.93 61.35 -72.02 -17.68 51.26 0.31 48.43 1.48 4.71 43.02 1.49 49.00 0.00 0.17 0.13 83 N H G 57.83 11.35 16.05 28.25 97.08 50.94 -97.68 0.91 45.33 2.16 52.51 12.40 11.22 21.54 2.79 49.73 0.01 0.92 1.39 84 L C C 17.94 23.71 11.05 33.81 115.24 109.14 -77.73 140.20 83.91 3.78 12.31 42.02 17.64 24.40 3.33 8.34 0.01 1.46 2.81 85 P C T 62.48 10.42 18.29 28.82 104.00 -96.09 -69.83 99.27 83.16 3.05 13.78 23.01 18.73 41.99 2.53 10.56 0.02 1.57 1.58 86 L C T 117.37 3.77 19.89 24.44 109.75 33.41 -82.21 125.84 85.57 3.34 11.08 6.82 23.71 55.54 1.66 8.71 0.03 2.10 1.43 87 G C T 30.28 9.64 19.44 29.47 102.89 10.64 89.25 -0.93 89.25 6.74 4.01 20.65 21.32 47.35 0.41 3.64 0.00 5.87 0.74 88 L E E 33.17 18.79 16.58 34.92 122.32 124.78 -106.75 138.32 44.05 55.76 0.19 38.00 4.58 0.56 0.04 0.16 0.00 55.67 0.99 89 V E E 30.30 16.23 21.71 37.88 124.18 -166.59 -122.16 137.39 2.14 97.85 0.01 1.95 0.12 0.01 0.00 0.00 0.00 97.80 0.12 90 K E E 49.44 17.17 23.25 39.56 117.41 -144.14 -103.60 129.14 0.47 99.53 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 91 L E E 20.44 19.96 21.51 40.93 119.99 -166.41 -113.74 128.99 0.51 99.49 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.50 0.01 92 Y E E 39.26 17.29 22.64 39.63 119.00 -161.36 -109.80 128.30 0.95 99.04 0.01 0.88 0.04 0.00 0.00 0.00 0.00 99.03 0.05 93 H E E 53.34 15.32 22.16 37.05 117.41 -158.93 -104.98 125.90 9.02 90.94 0.03 8.07 0.62 0.05 0.01 0.01 0.00 90.87 0.36 94 A C C 15.59 18.75 15.04 33.68 124.43 -159.91 -103.68 150.57 60.13 39.78 0.09 53.99 4.12 0.17 0.03 0.05 0.00 40.96 0.68 95 T C C 60.32 5.00 20.44 25.61 120.44 -115.22 -78.19 162.25 92.52 7.06 0.41 88.26 4.11 0.26 0.29 0.10 0.00 6.34 0.64 96 Q H H 113.38 6.48 14.16 22.29 91.62 -105.24 -58.53 -38.90 3.38 0.02 96.60 0.81 0.60 1.81 95.59 1.16 0.01 0.01 0.01 97 E H H 135.01 1.12 18.23 17.62 92.04 52.39 -64.75 -39.75 2.00 0.02 97.98 0.46 0.23 1.18 96.90 1.20 0.01 0.01 0.00 98 E H H 63.72 10.38 15.52 26.86 92.33 48.77 -66.67 -39.64 1.22 0.02 98.76 0.37 0.14 0.65 97.48 1.34 0.00 0.02 0.00 99 I H H 28.17 17.42 12.82 30.25 91.90 50.95 -64.00 -42.39 1.27 0.02 98.71 0.46 0.15 0.60 98.16 0.62 0.00 0.01 0.00 100 D H H 87.02 2.74 19.21 21.89 91.55 50.60 -63.80 -40.26 2.72 0.04 97.25 0.91 0.27 1.38 96.83 0.58 0.00 0.02 0.01 101 A H H 59.49 2.57 17.93 20.34 92.10 50.83 -65.16 -39.54 4.47 0.04 95.49 0.99 0.42 2.79 94.90 0.86 0.01 0.02 0.01 102 A H H 28.66 13.68 12.87 27.03 92.85 52.27 -67.22 -38.06 9.23 0.07 90.69 2.08 0.94 5.78 89.94 1.19 0.01 0.03 0.03 103 I H H 84.98 9.36 13.65 23.67 93.49 52.84 -69.09 -30.61 23.33 0.30 76.37 5.35 2.75 14.58 75.62 1.40 0.03 0.12 0.15 104 S C H 88.24 1.30 14.22 15.21 96.04 56.60 -77.05 -16.91 51.23 0.39 48.38 23.22 1.25 23.40 50.64 1.13 0.00 0.15 0.21 105 A C C 64.57 6.43 11.78 19.63 101.20 74.23 -76.44 -9.46 99.91 0.03 0.07 99.74 0.07 0.12 0.05 0.00 0.00 0.01 0.00