# 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 T C C 81.94 6.06 13.13 20.50 116.27 -160.89 -98.72 129.79 99.85 0.07 0.07 99.76 0.09 0.05 0.05 0.00 0.00 0.03 0.01 1 N C C 79.02 7.06 10.04 18.54 110.84 -149.87 -91.79 119.70 79.97 0.44 19.59 75.28 0.70 2.61 20.61 0.46 0.00 0.14 0.21 2 K H H 136.56 2.17 13.02 15.81 96.20 -153.43 -68.58 -32.57 22.98 0.25 76.77 15.16 3.21 3.94 76.81 0.69 0.00 0.08 0.10 3 I H H 81.92 5.19 13.32 20.00 93.58 53.97 -65.28 -41.29 5.28 0.08 94.63 2.75 0.79 1.78 94.08 0.53 0.00 0.04 0.02 4 I H H 57.35 9.26 12.69 23.36 92.49 49.58 -65.43 -41.05 1.71 0.04 98.25 0.91 0.23 0.63 97.82 0.38 0.00 0.02 0.01 5 Q H H 95.31 3.26 15.59 19.65 92.04 51.62 -64.36 -40.78 0.91 0.02 99.07 0.44 0.11 0.36 98.84 0.24 0.00 0.01 0.00 6 Q H H 99.47 2.27 16.87 18.96 92.21 50.44 -65.01 -41.32 0.85 0.01 99.14 0.31 0.08 0.39 99.04 0.17 0.00 0.01 0.00 7 I H H 59.85 7.08 15.12 23.83 92.37 49.16 -64.92 -42.00 0.96 0.01 99.03 0.30 0.09 0.49 98.93 0.18 0.00 0.01 0.00 8 E H H 79.95 8.00 15.17 24.27 92.15 50.98 -63.98 -40.74 1.49 0.01 98.50 0.41 0.14 0.81 98.38 0.25 0.00 0.01 0.00 9 A H H 57.01 2.85 16.30 19.61 92.14 51.09 -64.75 -39.90 3.98 0.02 96.00 0.79 0.36 2.62 95.34 0.86 0.01 0.01 0.01 10 E H H 107.04 2.81 16.59 19.70 92.58 50.16 -67.15 -36.80 10.03 0.03 89.94 1.16 0.76 7.63 89.18 1.23 0.01 0.01 0.02 11 Q H H 69.65 9.87 13.05 23.88 93.87 52.18 -72.03 -28.07 25.21 0.14 74.65 4.63 2.45 17.78 73.01 1.96 0.02 0.05 0.09 12 M C H 95.08 7.89 12.40 21.57 95.11 66.90 -71.15 -21.73 50.49 0.66 48.85 16.55 7.12 27.31 44.62 3.71 0.04 0.28 0.38 13 N C T 123.10 1.72 14.80 16.66 97.62 56.67 -86.04 2.04 72.39 0.92 26.68 28.82 8.46 34.97 22.32 4.49 0.01 0.44 0.49 14 K C C 107.95 6.99 11.18 19.84 116.53 106.09 -87.96 142.51 90.51 1.51 7.98 57.51 23.80 9.18 5.51 2.48 0.00 0.77 0.76 15 E C C 146.08 2.06 16.38 19.10 111.77 -117.79 -84.64 129.04 93.74 3.55 2.71 83.23 6.81 3.65 1.36 1.18 0.00 1.79 1.98 16 I C C 51.08 18.15 9.86 26.87 117.21 -146.56 -94.73 131.87 98.53 1.39 0.08 90.49 8.02 0.16 0.03 0.03 0.00 0.64 0.62 17 P C C 51.31 9.06 17.15 27.53 115.86 -110.62 -67.09 150.90 99.55 0.33 0.12 94.85 3.68 1.08 0.01 0.11 0.00 0.18 0.09 18 A C C 70.97 6.33 20.76 27.97 113.57 -106.98 -74.98 137.81 98.52 1.33 0.14 89.37 7.68 1.53 0.02 0.18 0.00 0.53 0.69 19 F C C 17.30 23.36 11.19 34.02 122.92 -157.76 -109.54 141.60 92.57 7.39 0.05 89.98 2.32 0.06 0.02 0.02 0.00 1.31 6.30 20 A C C 52.17 4.51 24.54 28.80 130.92 -157.47 -117.89 162.35 99.85 0.14 0.01 99.46 0.43 0.01 0.00 0.00 0.00 0.04 0.06 21 P C T 72.36 11.00 15.57 27.20 110.69 -77.85 -59.33 137.51 99.83 0.08 0.09 0.15 1.37 98.37 0.00 0.05 0.00 0.03 0.02 22 G C T 39.85 5.14 19.73 25.94 96.08 25.93 90.93 -7.07 99.90 0.05 0.05 0.25 1.36 98.32 0.00 0.03 0.00 0.04 0.00 23 D C C 34.20 13.08 16.42 30.83 118.80 130.86 -72.54 149.41 93.42 6.58 0.01 92.39 1.27 0.02 0.00 0.00 0.00 6.18 0.14 24 T E E 52.46 10.14 22.49 33.22 119.96 -134.25 -103.94 133.89 1.33 98.67 0.00 1.40 0.02 0.00 0.00 0.00 0.00 98.46 0.11 25 V E E 5.29 24.34 16.46 41.34 125.89 -169.71 -121.90 141.09 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 26 I E E 45.87 9.54 25.54 36.23 115.81 -140.24 -102.76 125.68 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 27 V E E 3.78 25.41 16.74 43.20 119.57 -164.70 -110.31 129.03 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 28 Q E E 54.36 9.33 25.45 35.42 119.94 -162.80 -112.65 130.17 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 29 V E E 9.78 22.12 16.12 38.53 124.28 -168.43 -119.98 134.94 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 30 K E E 77.34 7.77 22.49 31.00 116.91 -150.30 -103.07 127.27 1.14 98.86 0.00 1.05 0.03 0.00 0.00 0.00 0.00 98.91 0.02 31 V E E 21.48 17.39 12.89 30.75 124.51 -171.37 -118.64 140.96 4.39 95.60 0.01 3.77 0.32 0.04 0.00 0.01 0.00 95.78 0.09 32 K E E 112.87 4.81 15.02 21.34 116.05 -138.34 -100.64 127.78 16.41 83.48 0.12 13.83 1.93 0.35 0.02 0.08 0.00 83.36 0.43 33 E E E 98.96 6.99 9.56 18.19 114.89 -176.79 -121.97 113.20 39.43 58.23 2.34 15.17 11.54 14.82 0.23 2.22 0.00 55.09 0.92 34 G C T 61.85 0.66 12.30 12.08 110.08 -39.83 65.69 -135.24 96.98 0.63 2.39 4.30 18.85 73.32 0.10 2.81 0.00 0.47 0.15 35 D C T 139.91 0.30 10.47 9.16 97.39 -26.99 -88.02 3.67 96.32 1.01 2.67 5.68 28.67 61.60 0.12 2.98 0.00 0.74 0.20 36 R E E 145.21 2.29 9.67 13.75 122.01 90.04 -103.43 144.20 35.12 64.49 0.39 18.92 15.05 3.50 0.06 0.39 0.00 60.96 1.13 37 Q E E 113.73 5.81 9.70 17.64 118.33 -143.14 -98.49 133.96 20.80 79.10 0.10 17.28 2.11 0.46 0.01 0.08 0.00 79.76 0.29 38 R E E 109.29 5.53 14.20 21.61 127.60 -175.98 -129.04 146.80 6.75 93.22 0.02 5.72 0.55 0.08 0.00 0.01 0.00 93.51 0.11 39 L E E 89.28 9.42 13.77 24.37 117.26 -127.28 -91.42 132.92 2.42 97.58 0.00 2.19 0.09 0.01 0.00 0.00 0.00 97.68 0.03 40 Q E E 59.74 11.17 16.59 28.86 129.84 -174.30 -129.25 147.20 0.97 99.03 0.00 0.88 0.04 0.00 0.00 0.00 0.00 99.07 0.00 41 A E E 49.44 10.42 19.46 30.43 119.19 -129.39 -94.30 138.23 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 42 F E E 16.52 20.22 16.79 37.28 132.60 -176.09 -132.62 153.01 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 43 E E E 74.61 10.83 25.10 36.00 124.48 -145.64 -113.68 138.24 0.55 99.45 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.54 0.00 44 G E E 4.39 18.45 22.68 41.21 145.03 125.22 -158.87 -173.39 1.20 98.80 0.00 0.85 0.12 0.00 0.00 0.00 0.00 99.03 0.01 45 V E E 32.18 13.23 26.34 40.53 121.25 -68.72 -108.93 136.84 0.39 99.61 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.00 46 V E E 6.22 24.44 18.60 44.01 109.53 -118.18 -75.43 123.93 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 47 I E E 36.78 13.94 24.10 38.61 100.76 174.05 -99.44 -28.75 0.51 99.49 0.00 0.34 0.07 0.00 0.00 0.00 0.00 99.58 0.00 48 A E E 23.46 10.39 25.25 36.84 143.16 -2.05 -160.30 155.84 0.57 99.43 0.00 0.41 0.08 0.00 0.00 0.00 0.00 99.50 0.01 49 K E E 66.77 19.26 15.12 33.14 126.92 -154.90 -131.54 133.80 3.70 96.29 0.01 3.52 0.13 0.01 0.00 0.00 0.00 96.16 0.18 50 R E E 106.52 7.11 18.18 26.27 124.71 -168.01 -120.78 140.68 45.53 54.40 0.07 36.58 6.96 0.73 0.01 0.07 0.00 55.15 0.49 51 N C C 117.29 3.70 14.74 20.04 100.73 -82.13 1.12 63.43 78.51 21.33 0.17 37.85 36.33 3.63 0.02 0.20 0.00 21.44 0.53 52 R C C 144.00 4.37 12.24 18.19 112.63 149.71 -114.19 91.03 82.39 17.08 0.53 43.21 35.24 4.28 0.09 0.58 0.00 13.96 2.64 53 G C S 46.67 2.33 15.26 17.99 121.77 -53.14 82.00 -156.18 87.29 4.61 8.10 8.75 52.15 26.69 0.42 7.76 0.00 2.86 1.35 54 L C T 124.27 3.65 13.81 18.73 94.61 -34.03 -72.56 -20.57 89.71 0.98 9.31 2.52 23.11 62.83 0.20 10.41 0.00 0.60 0.32 55 N C T 86.15 7.29 15.69 23.87 102.01 47.58 -102.62 21.58 82.31 8.96 8.73 8.97 18.88 53.45 0.25 9.90 0.00 7.90 0.64 56 S C C 18.55 13.83 14.71 30.09 117.81 123.67 -85.16 143.91 57.37 42.05 0.58 51.87 3.29 0.83 0.06 0.51 0.00 42.78 0.65 57 A E E 21.48 12.88 21.80 35.53 134.69 166.88 -135.65 155.21 7.69 92.30 0.02 6.73 0.62 0.03 0.00 0.01 0.00 92.39 0.22 58 F E E 12.40 22.11 19.61 41.84 124.30 -149.61 -120.06 140.52 0.68 99.32 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 59 T E E 21.15 13.59 25.14 39.60 121.52 -156.17 -114.84 135.17 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 60 V E E 6.03 23.29 19.72 43.42 122.44 -165.43 -115.59 133.67 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 61 R E E 63.72 13.40 23.36 36.66 125.07 -167.94 -116.96 136.48 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.00 62 K E E 52.86 14.04 18.88 33.15 130.71 -172.57 -126.77 148.33 1.25 98.74 0.00 1.02 0.09 0.01 0.00 0.00 0.00 98.86 0.01 63 I E E 65.44 11.18 15.77 28.09 116.61 -134.02 -103.62 125.95 4.35 95.63 0.02 3.63 0.50 0.04 0.00 0.01 0.00 95.71 0.11 64 S E E 44.12 9.31 11.73 22.62 126.01 168.48 -136.15 135.89 10.17 89.68 0.15 7.05 2.55 0.68 0.03 0.11 0.00 88.81 0.75 65 N C T 142.12 0.77 13.92 13.80 93.15 -13.37 52.31 43.68 99.27 0.44 0.30 0.49 7.04 91.81 0.01 0.27 0.00 0.31 0.06 66 G C T 58.41 2.24 13.08 15.97 94.82 -48.90 81.40 1.55 99.59 0.22 0.19 0.50 6.95 92.18 0.01 0.19 0.00 0.15 0.03 67 V E E 73.27 6.01 14.81 22.56 122.96 105.07 -112.19 135.59 5.56 94.41 0.03 3.65 1.60 0.17 0.01 0.02 0.00 94.20 0.35 68 G E E 24.96 13.23 14.10 27.87 119.98 -134.72 -89.59 144.37 2.80 97.20 0.00 2.22 0.25 0.01 0.00 0.00 0.00 97.48 0.03 69 V E E 35.96 12.80 18.50 32.54 125.07 -167.49 -124.43 136.64 1.00 98.99 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.06 0.01 70 E E E 73.71 14.66 18.46 32.81 122.18 -156.52 -111.74 133.17 0.83 99.17 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.28 0.00 71 R E E 65.04 14.22 20.26 34.47 128.82 -172.99 -129.14 141.31 0.24 99.76 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 72 T E E 52.43 13.62 21.47 34.84 121.89 -153.64 -114.16 133.54 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 73 F E E 23.14 19.06 18.17 37.25 130.42 -175.47 -130.66 148.06 0.71 99.29 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.33 0.02 74 Q E E 78.03 8.72 23.72 32.56 113.59 -114.33 -76.65 139.67 11.51 88.45 0.04 9.96 1.06 0.20 0.01 0.03 0.00 88.46 0.28 75 T C T 27.47 20.64 16.48 36.19 95.50 -123.76 -65.85 -27.57 88.82 9.89 1.29 18.32 25.22 45.05 0.07 1.47 0.00 9.23 0.63 76 Y C T 112.04 9.32 22.23 31.82 97.23 55.32 -89.46 9.10 93.55 5.25 1.20 21.88 26.88 44.67 0.08 1.53 0.00 3.76 1.20 77 S C C 13.39 19.43 13.88 33.51 113.07 128.55 -72.98 132.72 94.80 4.34 0.87 75.24 18.30 1.29 0.16 0.88 0.00 2.78 1.35 78 P C T 83.44 5.57 22.15 28.58 92.64 -135.74 -66.87 -18.60 95.53 2.11 2.36 4.62 22.44 68.51 0.23 2.29 0.00 1.57 0.33 79 I C T 44.77 14.94 18.61 33.65 95.14 61.53 -88.86 -9.58 83.36 13.61 3.03 6.23 10.99 66.97 0.41 2.64 0.01 12.02 0.74 80 V E E 8.65 24.93 12.18 37.15 111.48 100.24 -84.32 121.15 13.07 86.73 0.20 12.22 0.94 0.12 0.07 0.10 0.00 85.60 0.95 81 D E E 83.68 4.85 22.58 28.08 99.65 177.45 -93.28 -31.93 11.98 87.85 0.16 8.88 2.52 0.22 0.04 0.07 0.00 88.15 0.12 82 S E E 45.94 5.81 24.58 31.24 142.96 -0.91 -158.79 157.24 2.18 97.74 0.07 1.63 0.22 0.04 0.01 0.03 0.00 98.05 0.02 83 L E E 22.54 24.08 13.20 36.69 127.05 -162.12 -133.58 134.49 0.93 99.01 0.05 0.84 0.03 0.00 0.01 0.01 0.00 99.08 0.01 84 S E E 47.00 6.68 25.43 32.40 126.00 -173.37 -125.05 141.68 0.73 99.23 0.04 0.64 0.03 0.00 0.01 0.01 0.00 99.29 0.01 85 V E E 35.79 20.20 14.82 34.28 118.44 -153.30 -106.04 128.16 2.04 97.91 0.04 1.92 0.06 0.01 0.02 0.01 0.00 97.92 0.05 86 K E E 93.25 7.95 19.91 28.47 120.44 -174.19 -114.20 136.98 9.67 90.19 0.14 8.65 0.75 0.11 0.06 0.06 0.00 90.11 0.26 87 R E E 119.91 9.86 16.08 26.46 120.49 -124.90 -103.41 136.68 30.22 69.20 0.58 26.18 3.18 0.60 0.23 0.31 0.00 68.79 0.72 88 R C C 123.72 9.16 14.52 24.44 113.99 -139.45 -95.70 132.58 68.78 26.25 4.97 52.01 11.44 4.62 2.27 2.34 0.00 25.69 1.61 89 G C C 35.60 7.02 14.65 22.67 126.55 53.90 123.99 -173.13 81.02 6.33 12.66 48.53 23.53 9.35 8.73 3.97 0.01 4.56 1.31 90 D C C 103.30 3.46 16.76 20.84 105.33 -69.13 -87.66 66.29 76.23 3.60 20.16 54.52 13.71 7.48 16.04 4.89 0.01 2.28 1.07 91 V C C 54.19 13.44 11.50 24.93 104.68 94.12 -84.88 57.60 57.25 2.65 40.10 40.89 8.80 7.54 32.39 7.93 0.01 1.61 0.83 92 R C H 129.44 6.48 16.33 23.81 100.02 93.12 -76.60 -26.62 52.27 2.05 45.68 35.25 8.42 8.79 36.61 9.02 0.01 1.22 0.67 93 K H H 116.99 6.92 16.67 24.28 97.00 53.80 -73.41 -24.92 46.40 1.88 51.72 28.05 9.21 9.76 40.77 10.45 0.03 1.07 0.64 94 A C H 39.81 11.54 14.27 26.60 98.87 71.07 -73.07 -23.78 50.03 1.69 48.28 32.13 8.67 9.08 39.96 8.62 0.01 0.99 0.52 95 K C H 102.29 8.33 18.48 27.07 99.75 64.10 -78.95 -5.08 50.76 3.55 45.68 35.58 6.95 8.42 38.67 6.96 0.02 2.55 0.86 96 L H H 42.93 15.67 14.37 29.98 99.78 88.97 -75.89 -25.66 34.01 7.63 58.36 26.93 4.00 4.38 49.07 7.96 0.02 6.73 0.91 97 Y H H 108.07 7.21 18.51 26.35 95.06 102.15 -69.95 -35.12 20.42 8.18 71.40 10.87 3.23 6.91 56.06 13.95 0.05 8.32 0.61 98 Y H H 89.22 8.85 17.59 27.21 94.27 52.73 -72.75 -31.39 18.27 9.41 72.32 8.97 2.97 6.88 55.08 15.81 0.07 9.58 0.64 99 L H H 39.73 15.93 14.16 30.07 94.09 60.64 -72.39 -30.29 15.64 6.45 77.92 8.45 2.61 5.06 57.69 19.04 0.06 6.60 0.50 100 R H H 118.54 8.32 15.93 25.12 93.21 63.43 -65.35 -34.41 26.50 4.72 68.78 9.20 4.38 12.86 52.38 15.89 0.26 4.25 0.78 101 A H H 71.80 3.58 17.15 21.18 95.36 53.81 -78.98 -15.15 45.08 2.73 52.19 12.55 6.73 25.02 39.47 13.31 0.21 1.91 0.79 102 L C C 57.88 13.18 10.67 24.01 104.21 80.85 -83.61 37.24 67.49 2.56 29.95 39.29 15.54 12.32 25.17 5.36 0.02 1.30 1.01 103 S C C 69.90 5.72 14.49 21.26 110.30 87.78 -89.50 127.41 71.41 2.10 26.49 35.30 12.75 22.91 21.69 5.38 0.02 1.07 0.90 104 G C T 46.73 4.15 15.21 20.20 106.99 8.66 72.26 -47.42 64.75 1.14 34.11 18.44 19.11 27.91 24.66 8.69 0.05 0.51 0.64 105 K H H 122.79 5.34 14.98 21.26 96.38 33.25 -73.42 -29.76 43.07 1.70 55.22 18.91 10.45 14.22 39.14 15.61 0.07 0.96 0.64 106 A H H 47.65 9.30 13.24 23.57 96.73 63.83 -71.40 -31.93 35.28 3.27 61.44 17.21 6.82 11.18 41.35 20.24 0.09 2.32 0.78 107 A H H 50.51 8.55 13.80 23.49 98.93 63.44 -74.30 -22.28 36.24 5.12 58.64 20.11 6.71 9.66 40.19 18.36 0.08 3.93 0.97 108 R H H 131.57 5.58 15.69 22.19 104.53 77.28 -85.51 26.79 40.48 10.03 49.49 24.18 7.72 9.51 35.63 13.17 0.11 8.02 1.68 109 I C H 68.55 12.10 10.77 23.21 108.53 121.87 -85.66 112.74 44.79 15.19 40.01 32.15 7.35 5.93 33.79 5.76 0.06 12.77 2.19 110 K C C 130.10 4.58 12.92 18.93 107.23 141.91 -88.90 73.49 49.95 14.90 35.15 34.46 7.67 7.25 30.39 5.23 0.06 13.06 1.87 111 E C C 120.95 4.79 10.47 16.91 110.76 92.09 -89.42 124.82 57.05 14.45 28.49 36.69 9.84 9.54 23.66 5.77 0.05 12.60 1.85 112 K C C 140.96 3.69 10.61 16.11 109.12 -142.49 -87.00 111.58 73.17 8.66 18.17 61.48 2.17 8.89 14.81 3.53 0.00 7.18 1.93 113 L C C 100.90 6.74 11.05 19.10 109.66 -151.94 -89.59 105.33 99.75 0.18 0.06 99.67 0.09 0.07 0.04 0.00 0.00 0.12 0.01