# 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 113.62 5.83 14.13 21.36 114.80 -155.51 -93.25 129.44 99.28 0.70 0.01 99.34 0.09 0.03 0.00 0.00 0.00 0.50 0.04 1 A C C 67.62 7.33 11.17 20.03 119.76 -157.04 -102.66 140.00 73.28 25.15 1.57 69.69 1.44 1.60 0.51 0.70 0.00 24.74 1.32 2 H E E 102.74 8.17 12.52 21.99 120.34 -163.90 -110.99 135.96 48.08 49.60 2.32 34.01 11.23 3.15 0.71 1.44 0.00 48.42 1.03 3 S E E 60.14 7.68 16.29 25.13 124.84 -147.72 -113.58 144.79 30.08 67.34 2.58 25.09 3.93 1.12 1.11 1.18 0.00 66.78 0.78 4 V E E 38.64 17.72 13.44 30.95 124.25 -160.21 -121.21 133.92 14.69 82.71 2.60 13.10 1.23 0.43 2.04 0.62 0.00 81.98 0.60 5 K E E 113.12 6.16 21.64 28.72 117.05 -152.81 -104.89 129.04 12.33 85.35 2.31 10.79 1.13 0.45 1.74 0.54 0.00 84.77 0.58 6 I E E 31.86 18.73 13.98 32.72 115.84 -158.75 -104.89 122.35 27.30 69.72 2.98 25.05 1.73 0.59 1.75 0.96 0.00 68.82 1.10 7 Y C C 89.33 10.55 17.77 28.88 114.89 -172.39 -94.23 144.26 53.72 34.89 11.38 37.44 11.00 6.56 2.91 7.79 0.01 32.88 1.40 8 D C S 104.41 4.17 20.49 25.15 102.02 -27.54 -89.66 -14.71 67.74 16.92 15.34 13.87 29.06 27.56 3.13 10.33 0.09 14.21 1.76 9 T C C 66.77 9.00 19.86 29.05 114.99 42.82 -107.19 124.25 68.41 14.30 17.29 26.64 17.70 26.40 4.09 12.10 0.06 10.95 2.06 10 C C C 15.18 22.62 13.28 35.14 112.73 116.09 -92.89 128.01 79.01 14.28 6.72 65.99 7.47 4.87 3.29 3.51 0.00 9.89 4.96 11 I C C 67.79 10.69 22.61 33.41 112.91 -158.71 -96.50 124.52 78.02 14.69 7.29 35.77 16.90 26.59 4.63 2.66 0.09 8.70 4.66 12 G C S 32.81 9.38 22.79 32.37 97.29 2.63 77.09 12.01 86.61 6.07 7.32 26.68 31.48 29.30 4.69 2.43 0.02 3.62 1.79 13 C C C 15.58 21.90 14.82 35.89 101.06 129.73 -80.32 15.97 74.65 2.02 23.32 54.58 15.11 4.36 22.15 1.86 0.00 0.70 1.24 14 T H H 72.07 7.64 21.94 30.10 93.56 76.86 -64.02 -38.31 17.24 0.32 82.44 7.75 6.25 4.51 80.37 0.84 0.02 0.09 0.17 15 Q H H 86.41 6.18 23.98 30.27 92.28 51.95 -66.07 -40.32 4.46 0.40 95.14 1.89 1.26 2.12 93.06 1.26 0.04 0.22 0.14 16 C H H 4.45 23.77 16.93 40.87 91.66 50.54 -64.81 -43.16 1.37 0.38 98.25 0.50 0.31 0.82 96.53 1.44 0.02 0.31 0.06 17 V H H 25.04 19.31 18.46 37.12 91.79 51.10 -63.65 -40.05 1.44 0.41 98.15 0.43 0.20 0.96 96.56 1.38 0.03 0.37 0.06 18 R H H 158.54 2.31 23.97 26.03 91.73 52.28 -66.61 -34.01 5.83 0.36 93.80 1.00 0.38 4.79 92.13 1.22 0.08 0.27 0.13 19 A H H 38.76 11.24 19.14 30.94 93.24 50.67 -80.98 -21.80 19.53 0.27 80.20 0.99 1.63 16.67 79.78 0.54 0.10 0.07 0.23 20 C C C 7.86 24.22 10.18 33.73 108.96 80.00 -99.76 111.19 98.17 0.85 0.98 68.18 28.53 1.26 0.99 0.13 0.00 0.27 0.63 21 P C T 93.68 3.58 20.68 25.02 93.24 -162.87 -66.88 -19.94 93.29 0.55 6.16 22.69 18.50 51.80 3.27 3.15 0.00 0.28 0.30 22 T C T 58.81 9.80 17.39 27.86 99.04 51.92 -95.19 0.14 90.81 0.59 8.60 4.83 29.34 56.92 4.32 3.93 0.00 0.29 0.37 23 D C C 84.16 9.39 20.97 30.64 95.32 -116.16 57.75 42.20 85.31 4.44 10.26 44.48 24.80 15.81 3.36 7.39 0.01 3.00 1.16 24 V C C 11.65 21.08 18.52 39.81 96.49 142.22 -83.40 -24.80 73.08 16.51 10.41 35.63 29.59 8.17 3.36 7.09 0.02 14.87 1.28 25 L E E 5.96 25.15 16.96 42.38 126.53 45.35 -122.62 136.41 27.53 61.34 11.12 17.68 8.30 4.90 3.80 6.36 0.04 57.01 1.91 26 E E E 84.39 8.08 26.28 35.02 127.81 -172.22 -127.57 141.63 20.08 73.65 6.27 16.17 3.12 1.73 2.51 2.97 0.01 72.19 1.30 27 M E E 55.39 18.75 17.22 35.18 115.35 -128.77 -90.77 129.27 26.66 71.16 2.17 22.63 3.55 0.94 1.25 1.04 0.00 66.86 3.73 28 V C C 31.50 13.51 15.80 30.75 121.12 -161.31 -111.78 135.44 62.93 36.60 0.47 53.98 7.24 0.63 0.18 0.31 0.00 35.81 1.86 29 P C C 78.26 4.98 19.37 24.88 111.69 -110.09 -67.73 141.97 81.15 16.43 2.41 65.37 9.88 4.78 0.52 1.98 0.00 16.08 1.38 30 W C C 94.59 15.40 9.94 24.50 105.86 -144.05 -94.87 58.79 75.27 11.43 13.30 36.81 17.22 22.19 2.33 10.74 0.03 6.26 4.41 31 D C T 117.77 1.87 14.93 17.22 100.58 49.57 -76.26 50.32 85.52 3.22 11.26 11.58 16.48 56.72 1.68 10.09 0.01 2.08 1.35 32 G C T 61.13 1.38 14.76 16.01 97.41 -54.99 83.38 1.83 88.30 2.13 9.57 13.91 21.78 52.56 1.39 8.22 0.00 1.35 0.79 33 C C C 36.57 14.16 8.57 22.69 120.66 123.23 -91.25 146.13 83.76 12.55 3.69 62.23 16.23 4.47 1.82 2.02 0.01 6.19 7.04 34 K C C 114.21 2.96 19.75 22.20 118.29 -125.06 -89.68 148.85 82.01 12.57 5.42 69.97 7.97 2.96 3.95 1.82 0.00 6.78 6.54 35 A H G 46.98 14.76 11.50 25.95 92.90 -113.41 -58.72 -36.14 32.43 3.71 63.86 9.23 6.32 15.95 32.05 32.66 0.32 2.52 0.95 36 S H H 79.00 2.54 17.84 20.80 91.80 60.29 -67.85 -24.11 27.83 5.18 67.00 7.28 4.75 14.69 34.81 33.39 0.31 3.94 0.83 37 Q H H 88.62 6.65 17.56 25.10 93.98 56.76 -79.88 -21.86 22.90 8.00 69.10 10.92 4.57 7.89 37.10 32.04 0.14 6.33 1.01 38 I H H 18.46 21.72 11.50 32.03 95.93 63.70 -73.77 -31.45 27.84 19.26 52.90 16.45 5.92 7.48 36.67 15.02 0.40 14.47 3.59 39 A C H 56.63 9.49 17.58 27.44 94.79 65.85 -68.99 -25.89 43.39 14.10 42.50 16.59 8.00 19.08 29.25 12.90 0.54 10.86 2.78 40 S C T 81.69 2.68 19.97 22.58 98.76 51.05 -90.23 -0.03 60.23 7.04 32.73 15.71 12.74 31.91 19.78 12.56 0.42 4.64 2.24 41 A C S 28.83 17.42 12.52 29.46 118.13 107.98 -81.91 141.11 97.85 1.69 0.46 45.59 51.99 0.64 0.29 0.14 0.00 0.78 0.57 42 P C C 53.84 10.59 16.90 28.43 112.81 -104.34 -66.61 149.11 94.89 3.04 2.07 84.95 7.36 2.28 1.02 0.94 0.00 1.48 1.96 43 R C C 113.61 8.50 18.67 27.59 114.48 -110.47 -82.48 137.81 91.03 5.70 3.27 82.86 5.29 2.21 1.58 1.46 0.00 2.05 4.55 44 T H G 48.95 17.17 13.27 29.32 96.02 -131.71 -66.55 -29.52 34.94 1.96 63.10 16.67 7.05 12.25 8.12 54.09 0.00 1.27 0.55 45 E H G 137.88 2.96 19.20 22.93 92.34 64.80 -69.80 -22.81 29.58 1.81 68.61 5.68 5.98 18.94 8.91 58.72 0.02 1.36 0.40 46 D H G 83.90 6.48 18.80 25.98 97.40 50.98 -93.27 2.22 28.35 2.86 68.78 7.70 6.15 15.97 7.93 59.40 0.05 2.19 0.62 47 C C C 14.61 22.59 11.63 33.30 112.14 108.26 -83.52 123.62 64.26 20.62 15.11 49.22 9.10 5.25 7.19 8.52 0.06 14.03 6.62 48 V C T 62.02 9.60 22.52 32.35 117.36 -165.50 -103.86 129.43 61.10 29.55 9.35 23.94 13.27 25.67 6.01 3.71 0.39 20.38 6.63 49 G C T 26.64 10.45 21.89 32.61 101.85 12.37 86.01 0.44 74.99 17.44 7.57 20.40 23.47 32.53 3.86 3.43 0.12 12.73 3.46 50 C C C 13.71 21.85 13.66 34.83 99.85 135.44 -78.72 22.55 89.69 4.23 6.07 82.71 4.89 2.11 4.87 1.37 0.00 2.45 1.59 51 K H H 128.64 3.78 21.50 26.24 93.51 121.88 -61.73 -38.81 34.28 1.44 64.29 10.31 9.84 16.19 57.73 4.32 0.25 0.75 0.62 52 R H H 120.50 5.28 21.66 27.24 92.60 51.28 -66.73 -37.80 23.43 1.16 75.41 4.87 5.39 14.89 68.30 5.01 0.36 0.75 0.43 53 C H H 7.12 22.65 13.93 36.43 92.56 51.18 -67.30 -39.51 12.17 1.45 86.38 5.55 2.24 5.52 77.72 7.35 0.08 1.28 0.26 54 E H H 79.44 13.66 17.51 30.68 92.06 57.00 -63.87 -36.76 9.69 1.24 89.07 3.34 1.57 5.38 80.05 8.22 0.10 1.14 0.20 55 S H H 85.22 1.43 21.71 21.60 92.50 52.75 -71.93 -24.19 17.43 0.76 81.81 2.92 2.14 12.56 75.59 5.80 0.19 0.58 0.22 56 A H H 40.90 10.90 16.68 28.30 96.61 49.17 -86.98 -20.94 29.74 0.94 69.32 4.01 5.81 21.38 64.47 3.00 0.36 0.43 0.55 57 C C C 13.86 21.20 9.59 29.76 114.75 65.99 -110.32 115.50 97.87 1.05 1.08 65.63 30.88 1.26 0.92 0.21 0.00 0.35 0.75 58 P C T 93.28 3.50 17.79 22.00 94.26 -158.34 -66.97 -20.26 86.56 0.99 12.44 25.00 16.28 45.33 6.51 5.85 0.00 0.61 0.41 59 T C T 74.27 6.12 15.57 22.74 100.02 48.31 -94.65 -1.96 79.86 1.94 18.20 8.82 21.63 49.93 9.67 7.84 0.03 1.40 0.68 60 D C C 95.22 7.10 17.13 25.21 97.05 -118.59 52.45 41.90 73.66 5.90 20.45 35.18 19.35 19.49 10.54 9.75 0.03 4.23 1.43 61 F C C 61.58 13.86 15.77 29.94 98.99 141.02 -90.38 -14.85 65.11 15.86 19.03 41.69 14.58 9.07 12.08 6.67 0.03 14.17 1.72 62 L E E 35.95 19.72 13.76 32.61 120.92 67.34 -112.32 131.33 35.57 47.13 17.31 25.60 6.65 4.59 12.38 4.78 0.06 43.80 2.13 63 S E E 55.85 6.99 21.19 28.94 125.52 -173.58 -121.34 140.62 26.75 60.13 13.11 21.13 3.33 2.21 9.75 2.78 0.01 59.88 0.91 64 V E E 51.30 17.40 13.47 30.26 121.70 -157.69 -116.28 129.98 23.76 64.23 12.02 19.59 2.03 1.22 9.70 1.63 0.00 65.21 0.60 65 R E E 130.47 5.42 17.30 24.22 120.80 -166.71 -114.56 131.20 20.48 67.81 11.71 16.78 1.64 1.12 9.49 1.58 0.00 68.89 0.50 66 V E E 66.45 11.05 12.58 24.66 119.49 -157.74 -109.99 129.56 22.82 65.02 12.16 18.70 1.98 1.38 9.52 1.89 0.00 65.90 0.63 67 Y E E 124.58 6.09 12.71 20.58 116.99 -159.51 -105.56 126.28 32.76 55.34 11.90 25.84 4.08 2.55 9.43 2.17 0.01 54.80 1.11 68 L C E 104.60 5.25 10.58 17.68 113.85 -163.00 -103.86 125.23 53.80 34.71 11.49 31.83 11.36 11.01 8.44 2.84 0.02 33.07 1.43 69 G C C 51.74 2.80 11.21 15.18 117.38 -68.29 102.49 -173.69 78.89 11.49 9.63 32.18 22.07 24.90 6.46 3.17 0.01 10.07 1.14 70 A C C 88.94 2.06 10.21 13.44 111.04 -48.05 -90.90 121.22 79.19 6.51 14.30 30.65 24.98 24.35 8.20 5.64 0.02 4.89 1.27 71 E C C 140.93 2.65 9.36 13.81 115.84 -140.46 -94.78 133.35 69.62 13.92 16.46 35.75 19.75 14.80 10.10 5.98 0.05 11.53 2.03 72 T C C 95.70 3.46 9.04 14.54 119.23 -159.44 -107.13 138.32 62.88 20.33 16.78 44.83 10.96 6.94 11.31 5.36 0.03 18.21 2.36 73 T C C 96.86 3.64 8.89 14.60 117.98 -154.31 -106.69 134.46 57.78 23.90 18.33 42.64 8.71 6.13 12.71 5.42 0.04 22.03 2.32 74 R C C 161.64 2.91 9.74 14.62 118.41 -163.18 -106.67 136.87 56.12 24.89 18.99 36.88 10.56 8.38 12.73 5.93 0.08 23.32 2.12 75 S C C 81.99 3.25 9.22 14.47 118.87 -146.06 -102.89 138.44 59.43 23.74 16.83 41.30 8.90 8.71 10.71 5.66 0.03 22.66 2.01 76 M C C 131.44 3.60 8.58 14.02 112.90 -160.67 -103.50 121.37 65.66 19.82 14.52 40.24 11.49 13.96 9.26 4.88 0.05 17.93 2.18 77 G C C 52.82 2.91 9.70 14.06 115.27 -130.75 -115.69 167.21 70.05 19.86 10.10 37.77 15.68 17.31 5.52 4.15 0.03 17.81 1.73 78 L C C 124.59 2.96 7.79 12.56 114.81 -115.51 -95.00 132.65 65.94 22.50 11.56 46.38 10.09 9.65 6.01 5.14 0.03 20.15 2.55 79 A C C 82.58 2.83 7.86 12.58 114.97 -157.09 -98.64 132.85 71.54 19.00 9.46 59.93 3.54 7.99 5.71 3.00 0.01 16.68 3.14 80 Y C C 158.34 4.28 10.42 16.34 114.95 -148.16 -102.32 127.69 98.48 1.00 0.52 98.16 0.24 0.25 0.49 0.02 0.00 0.76 0.08