# 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 95.97 8.67 16.73 26.15 117.25 -155.92 -98.45 128.23 99.91 0.09 0.00 99.75 0.19 0.01 0.00 0.00 0.00 0.05 0.01 1 P C C 51.35 11.92 14.67 27.37 114.35 -117.89 -69.78 147.70 96.90 3.08 0.02 96.59 0.43 0.14 0.00 0.01 0.00 2.69 0.14 2 K E E 96.24 8.86 19.35 28.85 123.67 -147.68 -112.30 139.81 33.43 66.51 0.06 29.63 2.96 0.20 0.01 0.05 0.00 65.94 1.22 3 I E E 14.58 22.34 14.88 37.34 120.95 -156.16 -114.61 130.71 7.31 92.68 0.01 7.16 0.21 0.01 0.00 0.00 0.00 92.40 0.21 4 R E E 90.17 8.91 24.81 34.02 118.53 -160.67 -110.52 127.57 2.65 97.35 0.00 2.52 0.09 0.00 0.00 0.00 0.00 97.35 0.04 5 I E E 8.04 24.51 16.79 41.76 119.69 -163.85 -112.33 127.97 1.53 98.47 0.00 1.60 0.03 0.00 0.00 0.00 0.00 98.35 0.02 6 K E E 74.91 9.43 26.53 36.39 118.78 -165.24 -112.84 125.93 1.23 98.77 0.00 1.22 0.03 0.00 0.00 0.00 0.00 98.72 0.03 7 L E E 5.07 25.68 16.97 43.30 124.14 -169.93 -117.13 136.78 2.78 97.22 0.00 2.85 0.04 0.00 0.00 0.00 0.00 97.03 0.08 8 R E E 100.09 8.56 26.69 35.78 125.03 -165.50 -118.11 139.81 7.94 92.05 0.02 7.56 0.29 0.03 0.00 0.01 0.00 91.79 0.32 9 G E E 6.87 20.90 15.42 36.07 139.94 152.36 -156.27 166.01 35.85 64.08 0.07 33.70 1.71 0.16 0.02 0.05 0.00 62.98 1.39 10 F C S 112.03 7.84 20.98 29.43 95.92 -123.09 -80.30 -23.42 98.88 1.08 0.04 5.47 93.06 0.64 0.01 0.02 0.00 0.72 0.09 11 D C C 65.22 7.14 19.71 27.78 113.88 53.16 -115.11 109.06 99.10 0.76 0.14 68.96 29.79 0.47 0.07 0.05 0.00 0.28 0.37 12 H H H 89.17 13.81 14.25 28.15 93.29 -161.81 -62.80 -35.25 2.87 0.01 97.13 0.52 0.52 1.65 96.59 0.71 0.00 0.00 0.00 13 K H H 145.86 1.43 21.45 21.73 91.77 55.04 -64.22 -40.57 1.57 0.00 98.43 0.16 0.15 1.16 97.75 0.77 0.00 0.00 0.00 14 T H H 40.90 10.05 19.19 30.24 92.17 47.83 -65.71 -41.00 0.82 0.00 99.17 0.16 0.08 0.51 98.40 0.86 0.00 0.00 0.00 15 L H H 4.76 24.85 14.48 39.51 91.26 50.79 -63.44 -43.21 0.40 0.00 99.60 0.08 0.04 0.19 99.51 0.18 0.00 0.00 0.00 16 D H H 65.51 9.65 23.22 32.84 91.47 50.61 -63.47 -41.95 0.32 0.00 99.68 0.05 0.02 0.16 99.72 0.05 0.00 0.00 0.00 17 A H H 54.36 2.99 26.30 28.40 91.35 49.67 -63.86 -42.54 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 18 S H H 9.05 18.66 21.33 39.99 91.86 49.51 -64.58 -42.32 0.35 0.00 99.65 0.03 0.01 0.23 99.69 0.04 0.00 0.00 0.00 19 A H H 5.99 23.29 19.84 42.83 91.27 51.90 -62.70 -41.96 0.20 0.00 99.80 0.02 0.01 0.12 99.84 0.02 0.00 0.00 0.00 20 Q H H 101.06 4.47 26.31 31.15 91.36 51.22 -63.68 -41.64 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 21 K H H 87.21 7.86 25.71 33.95 91.58 49.77 -64.57 -42.13 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 22 I H H 2.21 26.48 20.75 47.32 91.49 49.04 -63.95 -43.83 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 23 V H H 24.18 17.64 22.58 39.66 91.30 49.47 -62.97 -43.22 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.00 0.00 0.00 0.00 24 E H H 100.42 2.58 27.27 28.63 91.38 49.69 -63.43 -41.95 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 25 A H H 13.02 14.19 21.08 36.25 91.59 50.01 -64.21 -42.44 0.26 0.00 99.74 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 26 A H H 3.62 24.20 15.30 39.74 91.30 51.06 -63.53 -42.25 0.63 0.00 99.37 0.07 0.03 0.40 99.38 0.12 0.00 0.00 0.00 27 R H H 145.71 4.84 20.21 26.39 91.28 50.54 -62.83 -40.46 1.41 0.00 98.59 0.14 0.07 1.06 98.26 0.47 0.00 0.00 0.00 28 R H H 160.17 2.42 20.02 22.61 90.95 53.12 -65.69 -29.38 7.39 0.01 92.60 0.20 0.23 7.05 91.99 0.51 0.01 0.00 0.01 29 S C T 34.77 14.11 14.27 28.85 94.08 50.74 -89.40 -1.59 69.19 0.04 30.77 0.38 1.12 66.50 31.19 0.76 0.01 0.01 0.03 30 G C T 53.97 1.94 21.69 22.89 96.69 -104.47 86.77 11.70 99.85 0.02 0.13 2.42 1.57 95.93 0.04 0.03 0.00 0.01 0.00 31 A C C 13.20 22.11 9.75 30.97 120.77 142.46 -84.71 149.53 98.01 1.97 0.02 96.69 1.39 0.07 0.00 0.01 0.00 1.75 0.09 32 Q E E 119.96 2.76 24.42 26.92 111.64 -127.67 -88.78 126.11 23.51 76.44 0.05 22.59 0.87 0.08 0.01 0.03 0.00 75.57 0.85 33 V E E 31.56 22.92 11.21 32.89 120.93 -163.51 -111.58 130.01 5.63 94.35 0.02 5.61 0.17 0.02 0.01 0.01 0.00 91.21 2.97 34 S E E 63.13 5.26 20.90 26.63 113.10 -172.08 -110.87 112.90 23.01 76.97 0.03 18.01 4.59 0.22 0.00 0.02 0.00 76.58 0.57 35 G C E 33.26 4.93 21.29 26.72 133.83 -17.74 114.77 -176.54 50.38 49.60 0.02 18.66 30.99 0.39 0.00 0.02 0.00 49.69 0.26 36 P C C 62.14 14.68 15.97 30.10 116.02 -64.46 -70.98 145.37 58.41 41.57 0.02 52.21 4.42 0.12 0.00 0.02 0.00 42.60 0.62 37 I E E 36.20 15.92 16.74 33.24 119.80 -156.14 -115.64 127.21 21.24 78.75 0.02 19.51 1.13 0.03 0.01 0.01 0.00 71.10 8.21 38 P E E 76.46 6.68 23.06 30.26 114.68 -115.59 -68.33 143.21 35.65 64.34 0.01 34.53 1.15 0.04 0.00 0.01 0.00 61.20 3.06 39 L C C 32.48 21.53 13.29 34.00 117.62 -120.29 -81.56 141.64 91.75 8.24 0.01 89.49 2.70 0.04 0.00 0.01 0.00 7.23 0.53 40 P C C 40.38 12.18 16.91 30.11 114.29 -102.85 -66.30 147.80 90.55 9.36 0.10 88.56 2.09 0.21 0.02 0.07 0.00 8.16 0.89 41 T C S 88.93 6.26 16.34 24.02 98.69 -156.43 -88.85 -18.41 81.25 18.65 0.10 24.36 56.23 0.92 0.01 0.10 0.00 17.86 0.52 42 R E E 128.95 3.80 18.69 23.45 128.20 46.13 -126.31 143.52 16.46 83.39 0.15 12.20 4.14 0.47 0.02 0.12 0.00 82.71 0.34 43 V E E 59.34 15.31 12.33 27.35 123.54 -160.68 -120.29 133.96 4.75 95.20 0.05 4.40 0.25 0.03 0.01 0.02 0.00 95.18 0.10 44 R E E 104.88 7.49 17.52 26.20 122.78 -165.68 -116.59 136.23 1.35 98.64 0.01 1.18 0.08 0.01 0.00 0.00 0.00 98.70 0.03 45 R E E 114.74 9.58 15.94 26.69 120.40 -153.75 -109.28 131.81 0.96 99.04 0.00 0.83 0.04 0.00 0.00 0.00 0.00 99.10 0.01 46 F E E 50.77 12.45 14.96 28.85 127.68 -172.94 -124.94 145.26 0.89 99.10 0.01 0.81 0.04 0.00 0.00 0.00 0.00 99.13 0.02 47 T E E 53.98 9.24 17.71 28.31 120.78 -147.77 -110.55 135.07 1.34 98.65 0.01 1.25 0.04 0.01 0.00 0.00 0.00 98.66 0.03 48 V E E 34.57 13.15 15.12 29.65 119.10 -160.14 -111.16 129.94 4.67 95.30 0.03 4.34 0.23 0.02 0.01 0.01 0.00 95.17 0.22 49 I E E 70.53 8.58 15.39 25.59 113.92 -140.22 -91.30 129.42 24.29 75.55 0.15 20.29 3.42 0.43 0.04 0.11 0.00 75.00 0.72 50 R C C 119.40 7.37 13.83 22.58 112.74 -159.87 -97.57 125.39 63.21 36.29 0.49 42.65 18.73 2.35 0.11 0.42 0.00 34.14 1.60 51 G C C 28.76 6.31 12.66 20.65 125.61 -5.35 -108.00 167.25 85.88 11.91 2.21 56.61 22.35 7.14 0.52 1.90 0.00 9.37 2.11 52 P C T 93.13 3.98 11.85 17.17 97.92 -78.72 -68.72 -17.55 89.10 1.24 9.66 11.31 28.08 50.41 1.73 7.22 0.00 0.70 0.55 53 F C T 133.38 3.90 9.46 14.77 107.25 67.97 -87.53 57.68 85.77 2.19 12.04 12.05 25.82 48.70 2.55 8.58 0.01 1.16 1.12 54 K C S 146.61 2.53 10.54 14.34 102.12 31.42 -81.86 -10.17 83.24 4.28 12.48 21.24 33.53 29.68 2.71 8.64 0.02 2.21 1.97 55 H C C 116.61 4.10 9.83 15.55 109.76 56.26 -102.61 90.00 84.29 6.17 9.54 45.98 19.69 19.04 2.55 6.93 0.00 3.62 2.18 56 K C T 140.58 3.65 10.52 15.93 98.57 -159.05 -75.64 -21.35 73.29 6.39 20.32 19.23 18.26 37.16 2.94 16.60 0.03 4.16 1.62 57 D C T 112.76 2.03 13.37 16.03 99.32 54.94 -85.32 3.54 73.82 7.34 18.84 21.27 16.61 37.12 2.42 15.78 0.02 5.58 1.22 58 S C C 41.75 9.44 10.10 21.08 111.90 118.10 -88.48 129.98 70.97 14.29 14.74 49.08 12.55 9.31 2.20 12.89 0.00 12.49 1.47 59 R C C 116.40 8.37 13.14 22.81 119.58 -151.86 -106.32 137.91 53.85 42.16 4.00 41.75 8.33 3.68 1.18 2.91 0.00 40.14 2.02 60 E E E 90.77 8.71 14.37 24.34 121.32 -158.29 -108.52 138.15 27.14 71.71 1.15 22.04 3.72 1.05 0.27 0.83 0.00 71.34 0.75 61 H E E 105.89 7.56 15.34 24.29 121.17 -149.71 -111.32 134.87 11.00 88.74 0.26 9.13 1.55 0.42 0.07 0.17 0.00 88.36 0.30 62 F E E 60.12 13.44 12.70 27.01 127.97 -174.83 -124.49 147.37 4.11 95.87 0.02 3.74 0.17 0.02 0.00 0.01 0.00 95.97 0.09 63 E E E 98.33 6.20 18.24 25.65 121.81 -149.31 -111.93 136.55 1.49 98.50 0.01 1.34 0.05 0.01 0.00 0.00 0.00 98.56 0.03 64 L E E 53.42 15.24 13.72 29.09 124.90 -164.61 -115.56 139.65 1.81 98.19 0.00 1.65 0.05 0.00 0.00 0.00 0.00 98.26 0.03 65 R E E 97.94 8.69 18.76 28.40 121.66 -161.09 -113.30 134.75 1.89 98.11 0.01 1.67 0.07 0.01 0.00 0.00 0.00 98.22 0.03 66 T E E 46.38 13.91 16.59 30.89 123.44 -161.97 -114.97 137.01 3.10 96.89 0.01 2.68 0.21 0.02 0.00 0.00 0.00 97.02 0.07 67 H E E 45.37 13.28 17.96 32.26 125.93 -170.36 -124.54 138.57 4.94 95.05 0.01 4.30 0.43 0.04 0.00 0.01 0.00 95.09 0.13 68 N E E 67.21 11.81 20.55 32.29 123.91 -155.30 -113.52 138.65 8.77 91.22 0.01 7.89 0.49 0.02 0.00 0.00 0.00 91.49 0.10 69 R E E 38.21 18.11 18.15 36.02 129.14 -172.82 -128.44 143.90 5.43 94.57 0.00 5.06 0.23 0.01 0.00 0.00 0.00 94.61 0.09 70 L E E 44.18 11.40 23.68 35.78 118.48 -149.63 -107.64 129.09 1.30 98.70 0.00 1.15 0.05 0.00 0.00 0.00 0.00 98.76 0.03 71 V E E 5.99 24.07 17.95 42.55 120.77 -165.42 -115.53 129.40 0.24 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.01 72 D E E 47.19 9.54 26.22 36.47 115.09 -157.92 -104.05 122.75 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 73 I E E 9.85 23.21 16.54 40.27 114.58 -161.26 -104.48 121.26 3.65 96.34 0.01 3.54 0.09 0.01 0.00 0.00 0.00 96.18 0.18 74 I E E 61.86 8.99 21.13 30.83 120.15 -166.14 -104.09 141.65 32.99 66.96 0.05 16.29 16.31 0.76 0.01 0.05 0.00 66.10 0.48 75 N C S 105.71 3.75 22.33 26.46 94.80 3.98 59.12 50.89 90.68 9.31 0.02 10.97 78.23 0.95 0.00 0.02 0.00 9.66 0.18 76 P C C 17.49 22.70 9.61 31.35 117.53 -162.68 -70.73 144.95 96.02 3.89 0.08 91.29 4.79 0.28 0.03 0.05 0.00 2.95 0.61 77 N C C 72.50 4.09 20.98 24.82 123.26 -133.08 -85.44 167.15 99.07 0.68 0.25 97.85 1.24 0.14 0.16 0.03 0.00 0.22 0.34 78 R H H 156.69 4.70 14.84 21.42 91.27 -97.75 -59.61 -36.25 3.13 0.01 96.87 0.28 0.47 2.21 96.43 0.59 0.00 0.00 0.00 79 K H H 132.74 1.76 18.85 19.85 91.71 53.05 -64.83 -39.92 1.99 0.00 98.01 0.16 0.17 1.56 97.42 0.68 0.00 0.00 0.00 80 T H H 18.76 16.00 15.17 31.75 92.33 48.68 -65.78 -41.97 0.74 0.00 99.26 0.11 0.06 0.49 98.73 0.62 0.00 0.00 0.00 81 I H H 21.24 18.68 15.01 33.73 91.38 51.14 -62.84 -42.94 0.19 0.00 99.81 0.03 0.01 0.11 99.61 0.24 0.00 0.00 0.00 82 E H H 105.79 3.00 21.35 23.95 91.50 50.49 -63.70 -40.60 0.35 0.00 99.65 0.03 0.02 0.25 99.19 0.50 0.00 0.00 0.00 83 Q H H 78.24 6.42 19.69 26.85 91.94 50.85 -65.07 -40.51 0.85 0.00 99.15 0.05 0.03 0.69 98.07 1.15 0.00 0.00 0.00 84 L H H 13.13 22.55 14.26 36.54 92.18 51.79 -66.00 -37.26 2.59 0.01 97.40 0.14 0.12 2.21 95.18 2.35 0.00 0.00 0.00 85 M H H 75.79 12.96 16.78 29.74 91.55 58.34 -69.37 -22.68 27.75 0.08 72.16 1.04 1.06 25.63 69.24 2.88 0.04 0.04 0.06 86 T C T 102.03 1.81 19.66 20.75 95.86 55.89 -88.83 -4.34 63.38 0.29 36.33 3.63 3.05 54.72 35.07 3.20 0.02 0.13 0.17 87 L C C 44.42 16.47 9.81 26.06 117.36 105.44 -78.48 140.95 93.88 2.38 3.74 56.66 32.16 4.93 3.02 0.94 0.00 1.03 1.25 88 D C C 117.83 1.59 20.71 21.64 108.55 -128.58 -88.89 111.51 94.02 5.49 0.49 90.04 2.68 1.47 0.24 0.19 0.00 3.10 2.28 89 L C C 36.97 21.64 9.83 29.81 120.71 -169.30 -100.45 137.39 96.19 3.77 0.04 91.53 4.88 0.07 0.02 0.02 0.00 1.50 1.99 90 P C C 49.92 7.89 16.48 26.06 116.37 -106.79 -65.47 153.35 99.10 0.78 0.12 98.18 0.80 0.30 0.03 0.05 0.00 0.35 0.29 91 T C T 105.65 2.79 16.37 20.50 110.63 -87.45 -62.77 138.03 98.87 0.52 0.61 1.10 6.27 91.62 0.06 0.46 0.00 0.33 0.16 92 G C T 46.65 4.12 17.51 22.67 95.81 23.68 87.82 -4.89 98.77 0.84 0.39 2.10 5.83 90.86 0.02 0.38 0.00 0.73 0.08 93 V C C 22.74 20.14 10.13 29.80 120.14 114.66 -98.82 134.88 70.13 29.78 0.10 64.86 4.15 0.23 0.02 0.08 0.00 29.68 0.98 94 E E E 112.71 3.70 23.40 27.24 116.00 -149.46 -101.99 126.63 24.01 75.93 0.06 23.37 0.50 0.08 0.02 0.03 0.00 75.50 0.50 95 I E E 32.43 22.97 11.62 33.46 123.79 -169.55 -118.74 134.53 13.11 86.87 0.02 12.92 0.15 0.01 0.00 0.01 0.00 86.76 0.14 96 E E E 96.60 4.45 24.47 29.11 122.96 -168.65 -119.61 135.45 6.56 93.42 0.02 6.44 0.09 0.01 0.00 0.00 0.00 93.37 0.09 97 I E E 45.68 21.24 12.71 32.83 122.06 -159.95 -115.35 131.09 8.65 91.33 0.02 8.50 0.08 0.01 0.00 0.00 0.00 91.30 0.10 98 K E E 103.60 4.76 21.37 27.02 126.41 -175.23 -126.17 142.57 10.49 89.45 0.05 9.98 0.24 0.04 0.01 0.02 0.00 89.50 0.20 99 T E E 67.26 12.67 13.53 26.50 116.43 -129.57 -91.16 132.32 21.29 78.57 0.15 19.75 0.95 0.18 0.04 0.08 0.00 78.35 0.65 100 V C E 73.65 8.56 13.52 23.33 114.76 -166.89 -108.42 123.69 49.59 49.44 0.96 36.76 9.69 3.72 0.21 0.82 0.00 47.41 1.38 101 G C C 50.84 3.82 13.43 18.69 112.30 11.90 95.95 2.37 75.28 23.31 1.40 36.99 25.43 13.35 0.17 1.38 0.00 21.50 1.18 102 G C C 50.74 4.46 11.16 17.48 111.40 -88.47 84.04 125.70 86.50 11.68 1.82 44.45 24.91 17.58 0.25 1.79 0.00 9.77 1.26 103 G C C 52.51 3.30 11.06 16.21 113.87 -115.46 83.22 165.41 93.06 5.86 1.08 77.40 5.04 10.51 0.21 0.85 0.00 4.85 1.13 104 R C C 171.83 2.78 12.45 16.78 109.54 -71.50 -90.94 105.23 99.72 0.27 0.01 99.65 0.13 0.03 0.00 0.00 0.00 0.16 0.02