# 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 K C C 121.44 6.44 14.73 22.51 114.62 -142.97 -88.17 136.78 99.95 0.04 0.01 99.79 0.15 0.03 0.00 0.00 0.00 0.01 0.01 1 D C C 74.12 6.01 15.81 22.98 110.47 -124.00 -88.61 118.14 98.65 0.09 1.26 98.39 0.33 0.35 0.74 0.11 0.00 0.03 0.06 2 P H G 42.07 16.48 11.96 28.48 92.80 -138.61 -62.08 -27.56 19.18 0.18 80.63 4.51 1.95 11.80 20.90 60.66 0.00 0.12 0.06 3 R H G 112.98 10.79 15.81 27.06 91.44 64.79 -69.66 -19.96 14.19 0.23 85.58 2.18 1.52 9.65 24.16 62.28 0.00 0.16 0.05 4 D H G 80.92 5.85 19.73 26.21 93.26 62.28 -75.55 -15.49 14.13 0.57 85.30 3.75 2.43 7.91 22.98 62.42 0.00 0.40 0.10 5 V H G 30.85 16.98 16.43 33.26 97.89 64.55 -83.62 -18.64 36.62 10.13 53.25 9.51 9.14 19.32 23.69 28.12 0.96 6.85 2.41 6 L E E 27.17 20.57 13.88 34.16 112.32 88.73 -88.27 120.92 34.83 58.81 6.36 24.48 7.98 2.01 5.29 1.98 0.12 31.51 26.64 7 K C C 110.05 7.56 19.94 28.20 101.15 -170.50 -93.56 -27.51 66.26 32.13 1.61 46.97 17.55 2.08 1.03 0.76 0.01 28.46 3.14 8 R C S 125.59 6.18 21.49 28.47 126.48 10.14 -136.64 137.30 72.36 27.48 0.16 30.30 42.35 0.75 0.04 0.11 0.00 25.40 1.05 9 P C C 45.30 17.41 15.95 32.72 115.05 -108.53 -67.52 146.78 76.89 22.88 0.23 74.30 2.19 0.32 0.09 0.13 0.00 20.82 2.15 10 V C C 48.96 13.45 19.96 33.52 111.30 -142.70 -92.55 116.81 68.71 31.02 0.27 53.46 15.44 0.75 0.15 0.17 0.00 16.82 13.21 11 I C C 44.73 17.68 14.47 31.74 123.38 52.91 -115.94 136.75 82.89 16.91 0.20 71.26 11.96 0.35 0.13 0.09 0.00 11.26 4.96 12 T C C 49.38 7.63 16.40 25.34 124.64 -143.16 -90.28 170.23 94.20 5.12 0.68 89.40 4.88 0.40 0.58 0.14 0.00 3.38 1.22 13 E H H 142.35 2.21 15.93 18.94 90.80 -100.40 -58.98 -36.92 24.51 0.37 75.12 3.78 5.48 16.06 64.88 9.28 0.17 0.17 0.19 14 R H H 141.02 3.29 17.40 21.38 91.85 52.92 -65.87 -37.40 24.63 0.35 75.02 3.54 3.83 17.53 64.30 10.31 0.15 0.18 0.17 15 S H H 14.05 18.05 11.95 29.87 93.25 51.50 -70.04 -33.87 19.54 0.55 79.91 6.81 3.22 9.66 66.69 13.05 0.05 0.33 0.20 16 A H H 45.37 7.76 16.15 25.30 92.08 61.97 -62.76 -40.18 11.41 0.37 88.21 5.41 1.98 4.64 79.88 7.73 0.03 0.23 0.11 17 D H H 88.30 1.86 19.47 20.07 92.46 51.99 -65.74 -38.92 13.82 0.66 85.51 4.22 2.12 8.10 77.42 7.39 0.09 0.47 0.17 18 L H H 37.13 11.61 13.74 26.70 92.82 51.34 -67.53 -37.99 13.78 0.97 85.25 4.83 2.24 7.65 76.35 7.86 0.11 0.72 0.24 19 M H H 66.08 13.78 12.23 25.97 93.03 54.51 -65.69 -39.57 16.67 0.77 82.57 6.44 2.47 8.26 73.23 8.75 0.07 0.56 0.22 20 T H H 104.97 1.70 15.96 17.38 92.43 54.73 -67.86 -29.19 27.73 1.21 71.06 5.57 3.45 18.81 61.59 9.12 0.22 0.77 0.47 21 E C T 120.41 2.76 15.08 18.33 95.57 49.82 -89.00 0.96 81.17 0.20 18.63 2.77 8.11 70.42 13.36 5.05 0.01 0.09 0.19 22 K C T 129.62 6.93 15.49 23.75 95.09 -114.46 60.21 34.71 98.96 0.14 0.91 4.78 6.90 87.53 0.33 0.35 0.00 0.08 0.04 23 K C C 73.12 11.52 17.33 29.49 126.16 135.41 -113.92 145.94 65.84 34.02 0.14 55.33 9.04 0.54 0.04 0.11 0.00 33.07 1.87 24 Y E E 36.15 17.78 19.04 36.85 117.63 -131.32 -96.00 134.91 23.56 76.41 0.03 22.29 0.80 0.06 0.01 0.02 0.00 76.46 0.37 25 T E E 25.32 16.05 22.80 38.87 127.86 -167.46 -123.08 141.49 5.22 94.77 0.00 5.10 0.10 0.00 0.00 0.00 0.00 94.72 0.08 26 F E E 12.21 22.31 20.27 42.27 129.24 -172.59 -129.77 141.83 0.57 99.43 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.01 27 E E E 70.24 10.95 26.09 37.34 116.57 -140.38 -101.86 127.61 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.74 0.01 28 V E E 7.83 23.61 15.34 39.04 132.94 -174.13 -131.17 151.92 3.39 96.61 0.00 3.43 0.05 0.00 0.00 0.00 0.00 96.30 0.22 29 D C C 55.84 7.60 22.76 31.04 110.36 -105.22 -71.72 133.59 63.61 36.37 0.02 63.62 0.50 0.03 0.00 0.02 0.00 35.45 0.38 30 V C T 63.19 15.15 14.96 30.18 91.59 -133.41 -64.50 -22.22 98.63 0.81 0.57 0.64 4.59 93.61 0.02 0.55 0.00 0.53 0.07 31 R C T 168.22 1.81 21.21 22.46 93.40 60.43 -87.70 -2.95 99.14 0.35 0.51 0.73 3.77 94.70 0.01 0.53 0.00 0.24 0.03 32 A C C 11.69 20.31 9.74 29.90 116.86 120.12 -68.81 143.31 98.93 0.89 0.18 67.54 31.27 0.26 0.05 0.11 0.00 0.34 0.44 33 N C C 77.11 3.56 23.94 26.49 125.27 -138.14 -95.53 165.84 94.54 5.27 0.18 93.76 0.73 0.05 0.11 0.02 0.00 0.71 4.62 34 K H H 88.81 15.48 14.42 29.36 91.17 -101.79 -58.75 -37.71 1.63 0.00 98.37 0.21 0.23 0.94 98.48 0.14 0.00 0.00 0.00 35 T H H 87.79 2.24 22.00 23.40 91.70 52.77 -64.23 -40.66 0.85 0.00 99.14 0.08 0.07 0.59 99.13 0.12 0.00 0.00 0.00 36 E H H 70.85 8.73 20.86 30.20 91.97 49.10 -65.43 -40.71 0.24 0.00 99.76 0.04 0.02 0.14 99.72 0.08 0.00 0.00 0.00 37 V H H 1.65 26.88 15.48 43.19 91.15 49.73 -63.57 -43.70 0.07 0.00 99.93 0.01 0.00 0.03 99.94 0.01 0.00 0.00 0.00 38 K H H 74.88 14.41 21.91 35.26 91.40 51.36 -61.92 -42.48 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 39 D H H 84.23 2.46 26.57 27.80 91.73 49.20 -64.69 -41.53 0.09 0.00 99.91 0.00 0.00 0.07 99.92 0.00 0.00 0.00 0.00 40 A H H 9.84 15.76 20.92 37.48 91.64 50.47 -63.98 -43.07 0.15 0.00 99.85 0.01 0.00 0.11 99.88 0.01 0.00 0.00 0.00 41 V H H 1.94 26.62 16.90 44.15 91.45 48.72 -64.47 -43.20 0.15 0.00 99.85 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 42 E H H 83.03 10.38 19.78 30.29 91.82 51.46 -63.35 -41.37 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 43 S H H 74.44 2.68 22.00 24.23 93.10 48.08 -67.43 -39.95 0.23 0.00 99.77 0.01 0.00 0.22 99.71 0.05 0.00 0.00 0.00 44 I H H 41.39 15.92 17.68 33.20 98.27 38.30 -81.73 -40.03 1.07 0.00 98.93 0.01 0.03 1.06 98.82 0.07 0.00 0.00 0.00 45 F H H 24.54 19.64 15.43 35.14 102.12 23.24 -107.31 -9.85 5.54 0.02 94.44 0.23 0.61 4.45 94.58 0.11 0.01 0.00 0.01 46 G C C 49.59 3.25 22.57 25.90 94.42 -121.88 69.90 27.06 99.64 0.20 0.16 38.90 33.59 27.18 0.06 0.09 0.00 0.12 0.07 47 V C C 19.94 19.40 12.47 31.96 127.31 129.72 -117.53 148.03 94.07 5.89 0.04 74.93 19.25 0.27 0.01 0.03 0.00 4.94 0.57 48 K C C 121.93 3.63 24.40 27.97 113.03 -127.92 -90.16 126.78 88.18 11.80 0.02 87.59 0.90 0.06 0.00 0.01 0.00 11.11 0.33 49 V E E 17.20 23.68 10.27 33.20 114.03 -146.05 -89.78 126.62 23.34 76.63 0.03 24.53 0.25 0.02 0.01 0.02 0.00 74.14 1.04 50 D E E 88.22 3.44 21.32 24.98 98.14 -177.52 -85.43 -35.08 23.50 76.48 0.02 12.73 10.85 0.21 0.00 0.02 0.00 76.06 0.13 51 K E E 99.90 4.20 23.10 28.04 138.53 -0.57 -153.33 150.64 3.24 96.75 0.01 2.43 0.42 0.03 0.00 0.00 0.00 97.07 0.03 52 V E E 34.44 22.50 11.67 32.87 125.46 -164.35 -131.30 132.48 1.25 98.75 0.00 1.10 0.04 0.00 0.00 0.00 0.00 98.84 0.02 53 N E E 68.22 5.90 23.58 29.70 124.26 -171.64 -123.89 139.07 1.57 98.43 0.00 1.29 0.08 0.00 0.00 0.00 0.00 98.62 0.01 54 I E E 58.96 18.03 13.56 30.89 123.43 -160.04 -119.04 132.43 1.42 98.58 0.00 1.33 0.03 0.00 0.00 0.00 0.00 98.62 0.02 55 M E E 74.52 7.55 18.54 27.38 124.21 -172.56 -121.84 139.74 0.98 99.02 0.00 0.88 0.03 0.00 0.00 0.00 0.00 99.05 0.04 56 N E E 82.54 9.78 14.64 25.59 117.89 -149.07 -104.14 127.23 3.12 96.88 0.00 2.70 0.20 0.01 0.00 0.00 0.00 96.98 0.10 57 Y E E 90.04 9.60 13.36 24.52 122.63 -171.23 -117.55 138.48 20.89 79.07 0.05 18.84 1.33 0.13 0.01 0.03 0.00 78.97 0.68 58 K E E 147.71 2.41 16.13 19.56 112.56 -122.92 -86.74 132.70 47.18 52.69 0.13 39.10 5.56 0.84 0.02 0.11 0.00 53.89 0.48 59 G E E 28.38 12.36 9.39 21.77 126.78 -147.26 -95.97 166.36 47.52 52.36 0.12 39.16 6.35 0.90 0.02 0.12 0.00 52.79 0.66 60 K E E 136.12 2.47 15.62 18.90 121.76 -114.43 -110.15 144.77 18.12 81.79 0.09 16.63 1.24 0.17 0.03 0.05 0.00 80.76 1.13 61 S E E 68.20 7.18 9.91 18.79 117.54 -123.90 -85.65 137.95 12.85 87.09 0.06 11.89 0.67 0.11 0.02 0.03 0.00 86.86 0.43 62 K E E 109.27 4.55 11.08 17.71 124.21 -168.98 -123.82 143.15 7.37 92.57 0.06 6.27 0.84 0.16 0.02 0.03 0.00 92.42 0.26 63 R E E 166.90 2.38 9.00 13.47 115.69 -134.15 -95.49 128.03 9.48 90.46 0.06 8.04 0.94 0.16 0.02 0.03 0.00 90.25 0.56 64 V E E 96.34 3.03 7.74 12.77 115.70 -177.45 -124.40 110.02 29.41 70.37 0.22 24.51 3.44 0.84 0.06 0.17 0.00 70.14 0.85 65 G C T 65.86 0.35 10.38 9.32 109.76 -48.81 64.35 -127.40 97.67 1.74 0.59 12.46 25.96 59.20 0.05 0.63 0.00 1.51 0.20 66 R C T 207.55 0.34 9.25 8.49 96.86 -17.83 -88.95 -4.30 97.71 1.66 0.62 12.23 26.28 59.08 0.05 0.70 0.00 1.48 0.18 67 Y E E 142.57 2.94 8.24 13.25 121.99 81.59 -108.14 141.71 28.04 71.75 0.21 20.08 7.72 1.83 0.04 0.20 0.00 68.69 1.44 68 T E E 93.97 3.51 9.53 15.44 122.41 -160.82 -113.90 142.63 16.41 83.54 0.05 13.78 1.58 0.27 0.01 0.03 0.00 83.95 0.38 69 G E E 31.47 4.55 13.73 20.00 137.67 120.50 -169.19 -176.21 9.39 90.57 0.03 7.44 1.46 0.20 0.01 0.02 0.00 90.67 0.21 70 M E E 102.91 6.92 12.16 20.81 121.63 -84.60 -107.59 142.49 7.60 92.38 0.02 6.97 0.43 0.04 0.01 0.01 0.00 90.29 2.25 71 T E E 60.33 8.58 12.76 22.83 123.46 -160.26 -112.74 144.20 49.79 50.14 0.07 46.41 2.10 0.18 0.02 0.06 0.00 50.35 0.90 72 S C C 60.71 7.21 14.40 22.76 113.69 -109.03 -77.05 138.85 70.54 29.36 0.10 59.23 8.37 0.74 0.01 0.11 0.00 31.07 0.48 73 R C C 118.05 8.84 15.02 24.60 112.46 -160.43 -97.02 123.55 71.70 28.20 0.10 56.99 12.14 0.97 0.01 0.12 0.00 29.18 0.59 74 R E E 95.11 11.33 16.30 28.20 125.77 -159.24 -116.46 143.70 24.11 75.86 0.03 21.26 2.13 0.15 0.01 0.03 0.00 75.56 0.86 75 R E E 59.57 14.86 17.14 32.35 125.67 -162.13 -119.29 142.42 4.66 95.33 0.00 4.32 0.21 0.01 0.00 0.00 0.00 95.29 0.17 76 K E E 68.35 12.38 21.92 34.40 124.67 -150.06 -111.96 140.90 1.73 98.27 0.00 1.55 0.07 0.00 0.00 0.00 0.00 98.34 0.04 77 A E E 7.52 22.00 17.50 40.05 124.35 -160.42 -116.52 138.67 1.03 98.97 0.00 0.99 0.02 0.00 0.00 0.00 0.00 98.97 0.01 78 I E E 43.83 10.73 25.08 36.79 117.28 -153.62 -108.84 126.32 0.54 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.47 0.01 79 V E E 8.48 23.63 17.34 41.53 122.42 -169.02 -116.22 133.65 0.70 99.29 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.30 0.01 80 K E E 90.94 7.61 26.08 34.36 118.91 -156.54 -108.26 131.52 2.45 97.55 0.00 2.37 0.06 0.00 0.00 0.00 0.00 97.46 0.10 81 L E E 16.34 22.49 13.16 35.50 118.42 -140.01 -89.70 139.27 25.26 74.69 0.05 24.06 0.98 0.08 0.02 0.04 0.00 73.56 1.26 82 T C C 46.61 7.38 18.02 26.71 120.35 -124.69 -79.03 159.25 85.86 13.69 0.46 80.36 4.33 0.70 0.11 0.33 0.00 13.20 0.98 83 A C T 79.55 4.47 14.84 20.92 94.25 -103.55 -60.92 -28.93 84.11 3.34 12.55 13.93 18.65 51.99 2.19 9.92 0.01 2.41 0.89 84 D C T 113.06 1.88 16.13 17.99 95.66 53.82 -85.75 5.01 85.02 2.49 12.49 19.23 14.24 51.82 2.37 9.93 0.00 1.69 0.72 85 S C C 29.53 17.05 9.06 25.05 112.83 113.12 -81.20 137.04 75.67 7.53 16.80 58.18 10.27 7.30 3.28 13.86 0.00 5.60 1.52 86 K C C 122.69 5.61 15.72 22.56 114.53 -150.56 -96.78 132.85 71.67 16.51 11.82 54.57 10.59 6.63 3.65 8.20 0.01 13.59 2.76 87 E C C 119.54 5.79 14.11 21.49 111.48 -124.71 -85.00 130.12 68.26 23.27 8.48 57.89 5.51 4.25 3.16 5.15 0.00 20.22 3.80 88 I C C 67.55 13.44 8.80 21.98 111.38 -146.90 -92.82 120.88 88.12 9.47 2.42 86.52 0.92 1.63 1.15 0.77 0.00 7.44 1.55 89 E C C 140.50 2.64 15.17 18.85 108.62 -139.49 -84.99 115.60 99.78 0.18 0.03 99.71 0.09 0.05 0.02 0.00 0.00 0.12 0.01