# 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 R C C 115.17 8.02 21.76 30.03 121.32 -155.51 -108.03 132.68 96.17 3.83 0.00 96.19 0.11 0.01 0.00 0.00 0.00 3.66 0.03 1 I E E 18.75 21.43 14.30 35.55 122.33 -166.08 -114.97 130.78 9.83 90.17 0.00 10.23 0.08 0.00 0.00 0.00 0.00 89.46 0.22 2 R E E 96.19 7.85 23.55 31.89 120.08 -162.53 -114.79 127.99 2.22 97.77 0.00 2.14 0.05 0.00 0.00 0.00 0.00 97.77 0.03 3 I E E 10.56 23.54 15.97 39.76 120.26 -165.24 -113.77 127.80 0.91 99.09 0.00 0.94 0.01 0.00 0.00 0.00 0.00 99.04 0.01 4 R E E 91.86 8.64 25.83 34.83 117.91 -162.36 -111.93 125.75 0.76 99.24 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.24 0.01 5 L E E 6.34 25.02 16.47 41.94 125.40 -170.70 -120.87 136.45 1.71 98.29 0.00 1.72 0.02 0.00 0.00 0.00 0.00 98.23 0.03 6 K E E 88.22 8.26 26.49 35.24 123.64 -164.97 -116.56 136.38 5.11 94.88 0.01 4.83 0.18 0.01 0.00 0.00 0.00 94.83 0.14 7 A E E 9.03 21.76 14.08 35.76 136.58 168.44 -142.25 158.03 29.47 70.47 0.06 28.57 0.87 0.09 0.01 0.04 0.00 69.30 1.11 8 F C S 113.49 6.92 20.87 28.55 94.87 -137.47 -78.45 -24.10 98.76 1.21 0.03 7.21 91.31 0.49 0.00 0.01 0.00 0.90 0.07 9 D C C 61.26 7.93 18.42 27.49 113.77 54.92 -116.73 109.98 98.86 1.03 0.11 70.10 28.61 0.36 0.06 0.04 0.00 0.42 0.42 10 H H H 95.76 11.98 14.46 27.09 93.20 -161.97 -63.02 -34.68 2.06 0.00 97.94 0.32 0.30 1.23 97.51 0.63 0.00 0.00 0.00 11 R H H 157.91 1.58 21.05 21.61 91.70 55.81 -63.97 -40.25 1.03 0.00 98.97 0.11 0.08 0.74 98.41 0.65 0.00 0.00 0.00 12 L H H 38.20 11.83 18.22 31.09 92.10 48.47 -65.53 -41.19 0.39 0.00 99.61 0.07 0.03 0.23 99.06 0.61 0.00 0.00 0.00 13 I H H 6.67 24.04 14.62 38.75 91.31 51.27 -62.81 -43.43 0.16 0.00 99.84 0.03 0.01 0.07 99.80 0.08 0.00 0.00 0.00 14 D H H 73.18 7.41 23.19 30.81 91.45 50.33 -63.74 -41.83 0.20 0.00 99.80 0.03 0.01 0.11 99.83 0.03 0.00 0.00 0.00 15 Q H H 97.86 2.98 25.78 27.94 91.74 49.30 -64.74 -41.67 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 16 A H H 6.48 20.03 20.04 40.24 91.63 49.66 -63.84 -42.86 0.17 0.00 99.83 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 17 T H H 14.02 21.09 20.75 41.12 91.52 51.07 -62.79 -42.23 0.17 0.00 99.83 0.02 0.01 0.10 99.86 0.01 0.00 0.00 0.00 18 A H H 54.76 4.21 25.68 29.66 91.55 51.19 -63.81 -41.97 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 19 E H H 74.40 8.43 24.81 33.55 91.62 49.52 -64.89 -42.10 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 20 I H H 2.46 26.27 19.71 46.16 91.41 49.15 -63.73 -43.67 0.14 0.00 99.86 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 21 V H H 33.03 15.77 22.04 37.43 91.49 49.80 -63.06 -42.87 0.18 0.00 99.82 0.02 0.01 0.10 99.87 0.01 0.00 0.00 0.00 22 E H H 105.16 2.29 26.29 27.01 91.56 50.12 -63.67 -42.11 0.40 0.00 99.60 0.07 0.02 0.20 99.68 0.03 0.00 0.00 0.00 23 T H H 19.76 13.57 20.62 35.06 91.88 49.51 -64.45 -42.19 0.70 0.00 99.30 0.06 0.04 0.46 99.35 0.08 0.00 0.00 0.00 24 A H H 4.23 23.53 14.41 38.11 91.36 51.30 -63.51 -41.89 1.22 0.00 98.78 0.16 0.09 0.79 98.67 0.29 0.00 0.00 0.00 25 K H H 132.25 4.24 19.45 24.96 91.41 50.55 -63.32 -39.82 2.34 0.01 97.65 0.30 0.14 1.76 96.70 1.10 0.00 0.01 0.00 26 R H H 160.01 2.34 19.34 21.80 91.05 53.37 -66.18 -29.95 9.16 0.02 90.82 0.30 0.35 8.57 89.81 0.93 0.02 0.01 0.01 27 T C T 44.24 13.60 14.12 28.22 94.63 47.71 -91.72 -0.63 62.09 0.06 37.85 0.56 1.61 58.98 37.52 1.25 0.01 0.02 0.05 28 G C T 53.42 2.03 21.51 22.77 97.03 -105.12 87.35 11.23 99.81 0.03 0.17 3.94 2.17 93.77 0.06 0.04 0.00 0.01 0.00 29 A C C 12.78 21.99 9.60 30.72 120.60 142.17 -85.30 148.26 97.97 2.01 0.03 96.31 1.66 0.10 0.00 0.01 0.00 1.82 0.09 30 Q E E 115.86 2.98 24.46 27.17 111.05 -128.05 -89.36 124.27 26.95 72.97 0.08 25.91 0.93 0.11 0.02 0.05 0.00 72.14 0.83 31 V E E 31.93 22.70 11.16 32.64 119.85 -160.45 -108.47 129.61 8.55 91.42 0.03 8.53 0.21 0.02 0.02 0.02 0.00 88.17 3.02 32 R E E 136.47 4.47 20.42 25.66 116.68 -171.67 -112.49 130.54 23.67 76.30 0.04 19.30 3.96 0.20 0.01 0.03 0.00 75.62 0.88 33 G C E 32.70 5.19 20.15 25.91 131.79 -35.68 109.76 -175.77 52.85 47.13 0.02 20.37 31.21 0.47 0.00 0.02 0.00 47.67 0.27 34 P C C 65.96 12.81 15.87 28.65 115.31 -58.66 -70.45 145.83 62.00 37.98 0.02 54.59 5.36 0.17 0.00 0.03 0.00 39.30 0.55 35 I E E 37.04 15.60 15.40 31.76 118.84 -155.84 -114.19 125.36 22.76 77.22 0.02 21.02 1.17 0.04 0.01 0.01 0.00 71.00 6.76 36 P E E 81.57 5.35 22.23 28.18 114.62 -115.87 -68.23 142.93 34.29 65.69 0.01 33.55 0.89 0.03 0.00 0.01 0.00 62.23 3.29 37 L C C 35.08 21.00 11.74 31.83 116.25 -119.56 -84.60 137.06 91.31 8.67 0.01 89.36 2.41 0.05 0.00 0.01 0.00 7.61 0.54 38 P C C 51.56 8.85 17.27 27.49 114.15 -105.30 -66.07 148.91 94.38 5.54 0.09 90.73 3.44 0.34 0.01 0.07 0.00 4.91 0.49 39 T C C 90.74 6.88 14.84 23.22 102.64 -147.67 -92.39 -7.49 76.85 22.88 0.27 52.12 23.32 1.14 0.05 0.28 0.00 21.89 1.20 40 R E E 121.41 5.13 16.16 22.69 126.15 81.16 -117.02 144.08 28.01 71.77 0.22 21.68 6.23 0.54 0.04 0.18 0.00 70.60 0.73 41 K E E 113.41 9.75 12.94 24.01 123.61 -156.46 -117.90 137.10 8.10 91.79 0.11 7.45 0.53 0.09 0.03 0.06 0.00 91.61 0.23 42 E E E 78.85 8.49 15.12 25.18 127.70 -172.18 -127.24 143.09 2.06 97.89 0.05 1.85 0.14 0.03 0.01 0.02 0.00 97.89 0.07 43 R E E 135.93 6.48 15.31 23.66 119.42 -143.33 -107.01 132.34 1.64 98.30 0.06 1.45 0.10 0.02 0.01 0.03 0.00 98.35 0.04 44 F E E 51.32 12.80 13.44 27.53 129.28 -175.87 -128.92 148.66 2.99 96.90 0.11 2.79 0.13 0.04 0.02 0.06 0.00 96.89 0.07 45 T E E 65.28 7.66 17.40 26.35 119.51 -136.91 -106.69 133.21 5.37 94.53 0.10 5.12 0.23 0.05 0.03 0.05 0.00 94.28 0.25 46 V E E 34.92 13.57 14.08 28.91 120.43 -162.41 -113.67 129.86 16.72 83.05 0.23 14.76 1.59 0.24 0.08 0.13 0.00 82.30 0.90 47 L E E 73.77 7.74 15.50 24.92 111.60 -132.83 -86.17 123.73 46.03 53.66 0.31 38.05 6.70 0.86 0.09 0.22 0.00 52.79 1.29 48 I C C 79.01 8.76 13.63 23.69 102.70 -175.04 -94.73 -17.15 72.80 26.83 0.36 51.95 19.23 1.78 0.09 0.32 0.00 24.72 1.91 49 S C C 43.47 5.89 13.05 20.80 125.35 17.34 -127.66 146.50 84.68 14.74 0.59 58.90 23.43 2.85 0.18 0.51 0.00 10.05 4.08 50 P C T 99.02 4.13 11.21 17.09 93.34 -116.57 -64.76 -21.43 94.69 0.50 4.81 3.88 17.04 73.86 0.62 4.06 0.00 0.30 0.23 51 H C T 152.53 1.35 11.73 13.35 97.49 55.51 -85.46 -5.16 94.26 0.91 4.83 5.27 16.39 72.64 0.76 3.98 0.00 0.61 0.35 52 V C S 79.27 6.42 8.74 16.66 112.11 71.31 -97.65 109.30 77.05 15.60 7.35 31.37 32.41 14.10 1.95 5.09 0.04 8.24 6.80 53 N C C 88.87 4.83 10.92 17.27 113.57 -117.40 -95.65 121.54 86.50 8.26 5.25 69.50 9.86 6.69 2.06 3.37 0.00 6.38 2.14 54 K C T 150.01 3.09 11.31 16.18 96.32 -146.63 -69.98 -21.07 68.31 6.14 25.55 14.41 14.17 41.05 4.84 19.69 0.08 4.23 1.53 55 D C T 111.92 1.88 13.98 16.22 96.73 61.94 -83.04 -6.28 67.84 6.82 25.34 16.51 12.55 40.27 4.83 19.40 0.05 5.08 1.32 56 A C C 37.38 11.12 9.54 21.72 109.17 95.31 -80.72 115.47 62.33 11.53 26.13 41.36 11.78 10.43 4.94 20.62 0.02 9.22 1.63 57 R C C 122.55 7.87 13.65 22.57 112.83 86.49 -93.50 120.52 60.53 26.21 13.27 41.61 11.74 8.08 3.82 9.35 0.05 22.80 2.55 58 D C C 82.45 7.62 14.62 23.22 112.70 -148.49 -97.22 123.95 53.22 39.30 7.48 38.87 9.54 5.39 1.44 5.42 0.00 38.28 1.06 59 Q E E 93.70 7.74 15.38 24.30 120.70 -153.01 -110.52 136.43 31.56 66.89 1.55 24.55 5.17 1.66 0.40 1.01 0.00 66.59 0.60 60 Y E E 74.85 14.32 12.13 26.68 129.62 -169.36 -127.42 148.90 7.43 92.48 0.09 6.61 0.53 0.09 0.03 0.04 0.00 92.53 0.18 61 E E E 94.91 6.25 18.34 25.75 122.44 -149.30 -114.90 137.55 1.04 98.94 0.02 0.92 0.05 0.01 0.00 0.00 0.00 98.99 0.03 62 I E E 60.20 14.86 13.95 28.98 120.03 -151.52 -108.51 131.65 0.81 99.18 0.01 0.76 0.01 0.00 0.00 0.00 0.00 99.21 0.01 63 R E E 90.01 9.32 18.26 28.63 122.68 -169.61 -118.85 135.97 1.20 98.80 0.01 1.09 0.04 0.00 0.00 0.00 0.00 98.84 0.02 64 T E E 55.14 12.21 17.15 29.93 121.64 -158.18 -111.11 133.63 3.05 96.93 0.01 2.61 0.24 0.02 0.00 0.01 0.00 97.08 0.04 65 H E E 44.26 13.84 17.21 31.93 126.71 -171.61 -125.25 141.50 4.61 95.37 0.02 3.94 0.47 0.05 0.00 0.01 0.00 95.45 0.08 66 L E E 69.38 11.15 20.64 31.93 120.38 -147.86 -106.03 136.83 6.34 93.65 0.01 5.80 0.27 0.02 0.00 0.00 0.00 93.84 0.06 67 R E E 37.66 18.72 17.68 36.03 126.44 -167.62 -121.17 138.06 3.41 96.58 0.00 3.14 0.15 0.01 0.00 0.00 0.00 96.65 0.04 68 L E E 44.09 11.14 23.69 35.63 118.44 -152.53 -108.52 128.54 0.86 99.14 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.19 0.02 69 V E E 6.28 23.87 17.69 42.05 120.60 -165.88 -114.40 129.43 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.76 0.01 70 D E E 49.90 9.26 26.22 36.11 115.83 -157.86 -104.58 123.36 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.01 71 I E E 11.02 23.06 16.28 39.77 114.70 -160.39 -102.68 122.02 5.29 94.70 0.01 5.20 0.11 0.01 0.00 0.00 0.00 94.39 0.27 72 V E E 51.90 9.27 21.06 31.11 120.63 -168.19 -105.86 143.71 40.73 59.22 0.04 24.30 16.30 0.54 0.01 0.04 0.00 58.21 0.60 73 E C S 125.99 4.16 22.91 27.37 96.31 1.87 58.68 56.39 88.55 11.43 0.02 16.56 70.57 0.79 0.00 0.02 0.00 11.84 0.22 74 P C C 19.31 22.61 9.99 31.67 117.05 -152.60 -70.36 145.45 95.17 4.76 0.07 92.34 3.00 0.22 0.02 0.04 0.00 3.86 0.52 75 T C C 59.43 4.78 20.33 25.31 123.03 -130.93 -84.73 165.62 98.37 1.29 0.34 97.29 1.17 0.16 0.22 0.05 0.00 0.46 0.65 76 E H H 136.36 3.94 15.15 20.90 91.27 -101.13 -59.43 -37.19 2.71 0.00 97.28 0.31 0.46 1.78 96.92 0.53 0.00 0.00 0.00 77 K H H 136.69 1.74 19.07 20.14 91.65 52.60 -65.00 -39.90 1.61 0.00 98.38 0.14 0.14 1.23 97.86 0.63 0.00 0.00 0.00 78 T H H 19.16 16.98 15.57 32.76 92.51 47.86 -66.11 -41.98 0.67 0.00 99.33 0.10 0.05 0.44 98.82 0.59 0.00 0.00 0.00 79 V H H 16.35 18.89 15.70 34.67 91.39 50.82 -62.68 -43.20 0.19 0.00 99.81 0.03 0.01 0.10 99.64 0.21 0.00 0.00 0.00 80 D H H 79.44 2.95 22.45 24.68 91.43 50.68 -63.61 -40.19 0.40 0.00 99.60 0.04 0.02 0.28 99.23 0.43 0.00 0.00 0.00 81 A H H 31.46 8.27 19.06 28.85 91.67 51.66 -64.53 -41.17 0.96 0.00 99.04 0.06 0.03 0.77 98.15 0.98 0.00 0.00 0.00 82 L H H 12.15 22.97 14.79 37.32 92.33 52.13 -66.16 -37.92 2.70 0.01 97.29 0.15 0.13 2.28 95.51 1.91 0.00 0.00 0.00 83 M H H 82.29 12.18 17.38 29.61 91.32 58.87 -69.15 -23.53 30.10 0.11 69.79 1.22 1.18 27.77 66.88 2.78 0.05 0.05 0.07 84 R C T 172.43 1.52 20.22 20.71 95.10 55.68 -85.86 -8.19 65.29 0.30 34.40 3.79 2.75 56.70 33.27 3.18 0.02 0.15 0.16 85 L C C 45.06 17.07 10.36 27.00 117.92 102.05 -80.48 142.06 90.98 3.26 5.75 47.95 36.93 5.97 5.09 1.22 0.01 1.61 1.22 86 D C C 112.85 2.20 20.81 23.04 109.36 -128.80 -89.14 115.42 83.50 13.10 3.40 75.44 3.61 4.07 2.18 1.16 0.00 9.99 3.55 87 L C C 39.19 21.10 10.87 30.40 121.92 -175.00 -109.70 137.50 71.19 26.67 2.14 64.39 4.51 1.10 1.54 0.79 0.00 14.67 13.00 88 A C C 45.19 7.98 17.78 26.83 117.34 -111.20 -71.20 154.78 90.55 7.51 1.94 86.21 2.92 1.71 0.88 0.87 0.00 5.29 2.12 89 A C T 75.65 5.33 16.37 23.15 111.62 -89.05 -63.33 139.16 94.90 3.20 1.89 2.59 8.59 84.21 0.26 1.41 0.00 2.20 0.73 90 G C T 46.91 4.03 18.60 23.59 95.56 23.23 85.65 -5.01 96.38 2.75 0.88 4.01 7.72 84.70 0.08 0.78 0.00 2.47 0.24 91 V C C 23.89 19.72 10.95 30.47 119.28 122.44 -95.94 134.92 65.25 34.60 0.15 59.17 4.35 0.35 0.03 0.12 0.00 35.13 0.86 92 D E E 88.18 4.42 23.50 28.33 115.88 -150.49 -102.08 126.90 16.70 83.24 0.07 15.97 0.58 0.09 0.02 0.03 0.00 82.82 0.49 93 V E E 23.35 23.30 12.07 34.48 125.22 -171.22 -123.40 136.29 8.08 91.91 0.01 7.94 0.15 0.01 0.00 0.00 0.00 91.77 0.11 94 Q E E 96.39 4.76 24.76 29.94 121.00 -166.76 -118.05 131.91 3.49 96.50 0.01 3.38 0.08 0.01 0.00 0.00 0.00 96.48 0.05 95 I E E 31.71 22.35 13.03 34.48 123.04 -165.65 -118.27 131.44 3.82 96.18 0.00 3.88 0.06 0.01 0.00 0.00 0.00 95.98 0.07 96 S E E 55.53 5.43 21.51 27.60 125.56 -172.77 -122.31 141.24 5.46 94.53 0.01 5.40 0.12 0.01 0.00 0.00 0.00 94.22 0.24 97 L E E 72.01 14.93 12.27 26.73 118.72 -154.92 -107.45 131.22 27.03 72.93 0.04 26.62 0.33 0.08 0.01 0.02 0.00 72.23 0.70 98 G C C 42.48 4.72 18.39 23.72 121.00 23.65 94.84 -160.70 99.07 0.93 0.00 99.04 0.09 0.02 0.00 0.00 0.00 0.84 0.01