# 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 106.28 6.58 15.57 23.34 118.69 -137.34 -92.70 138.74 99.96 0.04 0.00 99.85 0.12 0.01 0.00 0.00 0.00 0.02 0.00 1 P C C 62.40 12.11 11.48 24.05 115.40 -106.42 -67.54 148.53 97.66 1.25 1.09 96.35 0.43 1.45 0.34 0.38 0.00 0.67 0.38 2 R C C 136.44 5.79 15.53 22.81 116.25 -133.48 -94.17 139.48 82.59 14.00 3.42 60.68 17.17 4.65 0.99 2.55 0.00 10.08 3.88 3 E C C 109.00 7.86 16.58 25.48 115.32 -115.11 -86.13 135.17 70.56 25.54 3.90 58.65 8.39 2.71 1.35 2.72 0.00 18.22 7.97 4 I C C 22.88 18.83 10.55 29.27 117.28 -151.16 -106.32 127.95 78.78 17.85 3.36 76.15 2.54 0.95 1.81 1.36 0.00 12.67 4.52 5 K C C 140.74 3.27 19.33 23.45 99.44 -171.88 -96.22 -21.01 95.18 2.32 2.50 53.13 40.41 2.13 1.41 0.91 0.00 1.32 0.69 6 T C S 65.45 4.42 21.43 26.07 125.06 42.13 -122.73 140.91 90.35 4.92 4.73 41.54 47.41 1.80 3.98 0.77 0.00 1.31 3.19 7 L H H 30.60 20.94 12.56 33.11 92.03 -131.17 -60.31 -38.51 3.41 0.03 96.56 0.91 0.64 1.90 94.30 2.21 0.01 0.01 0.01 8 K H H 125.16 4.37 19.96 25.51 91.05 57.38 -62.38 -39.66 1.62 0.01 98.37 0.25 0.15 1.11 95.70 2.78 0.00 0.01 0.00 9 E H H 90.92 4.84 21.40 26.45 91.60 50.03 -65.72 -39.55 0.63 0.01 99.37 0.11 0.06 0.41 96.46 2.96 0.00 0.01 0.00 10 F H H 7.56 23.56 15.75 39.55 91.38 51.06 -63.65 -43.61 0.42 0.01 99.58 0.08 0.04 0.25 98.71 0.93 0.00 0.00 0.00 11 L H H 34.21 17.22 19.66 36.36 91.81 50.46 -63.86 -41.32 0.66 0.01 99.34 0.09 0.05 0.44 98.13 1.28 0.00 0.00 0.00 12 A H H 59.67 2.82 24.16 25.95 91.85 51.53 -64.54 -41.39 1.85 0.01 98.14 0.16 0.10 1.46 96.57 1.68 0.01 0.01 0.00 13 I H H 40.47 11.87 19.96 32.58 92.21 49.58 -66.57 -39.40 4.92 0.03 95.04 0.27 0.35 4.29 93.36 1.68 0.03 0.01 0.02 14 C H H 7.59 23.34 13.70 37.08 91.92 57.26 -69.25 -24.47 30.45 0.34 69.21 3.62 2.67 24.13 66.77 2.39 0.07 0.14 0.19 15 S C T 67.22 6.98 19.90 27.54 92.90 63.61 -82.44 -10.06 75.01 0.55 24.44 12.90 6.08 54.99 22.19 3.26 0.01 0.25 0.33 16 R C S 100.87 8.55 13.49 23.72 113.32 101.09 -76.55 134.23 92.06 1.91 6.03 22.07 64.17 5.14 5.11 1.03 0.01 0.51 1.96 17 K C T 162.26 1.82 15.79 18.46 93.91 -131.14 -64.68 -27.36 95.81 0.27 3.93 1.57 7.06 87.75 1.29 2.01 0.01 0.13 0.18 18 D C T 96.98 4.60 16.74 22.18 95.63 52.38 -87.49 0.26 98.14 0.15 1.71 2.77 5.57 89.93 0.47 1.10 0.00 0.08 0.07 19 A C C 15.97 20.95 8.85 28.72 114.48 115.08 -76.60 132.95 86.93 10.30 2.77 81.41 4.76 1.28 1.05 1.73 0.00 8.52 1.25 20 R C C 150.67 3.24 21.73 25.58 99.07 -176.15 -93.96 -28.15 79.07 17.67 3.26 45.69 31.37 2.24 2.48 0.86 0.00 16.64 0.70 21 C E E 43.15 9.31 22.79 32.91 142.06 3.81 -156.89 155.74 23.56 72.88 3.56 17.22 5.13 1.72 2.28 1.14 0.01 71.91 0.59 22 V E E 21.72 23.34 14.49 37.69 127.52 -166.92 -136.59 135.65 6.46 90.10 3.44 5.52 0.59 0.47 2.61 0.65 0.00 89.88 0.28 23 K E E 92.77 7.00 25.53 33.24 121.79 -163.06 -119.49 132.23 4.77 91.78 3.45 3.99 0.43 0.51 2.85 0.56 0.00 91.38 0.26 24 V E E 30.33 21.05 14.69 35.59 118.64 -156.51 -108.52 128.13 12.54 84.47 3.00 10.99 0.92 0.54 2.12 0.71 0.00 84.35 0.37 25 K E E 87.05 7.85 19.89 28.48 117.96 -152.65 -104.36 131.18 29.07 69.13 1.79 25.57 2.44 0.89 1.06 0.65 0.00 68.60 0.79 26 H C E 115.75 9.36 14.43 24.60 113.49 -151.11 -92.34 121.92 57.53 41.28 1.18 36.05 18.94 3.31 0.50 0.66 0.00 39.53 1.01 27 N C C 65.81 6.45 13.77 21.95 119.42 155.56 -124.65 123.55 81.00 18.61 0.38 58.06 20.77 2.22 0.08 0.38 0.00 16.83 1.67 28 P C T 107.01 3.38 12.99 18.24 93.28 -139.19 -66.06 -23.63 95.43 2.18 2.39 15.35 27.44 52.32 0.14 2.72 0.00 1.66 0.37 29 S C T 85.63 2.04 15.48 17.51 98.65 43.02 -91.68 -10.69 95.52 1.92 2.57 11.10 29.10 55.00 0.13 2.86 0.00 1.49 0.32 30 A C S 34.66 10.08 14.93 26.51 133.94 39.43 -140.57 152.19 70.27 27.19 2.55 26.82 29.85 14.98 0.21 2.48 0.00 24.05 1.60 31 T E E 22.78 16.03 15.72 32.76 117.60 -138.95 -102.89 130.46 34.38 65.50 0.12 30.14 2.54 0.38 0.02 0.09 0.00 66.36 0.47 32 K E E 62.83 11.79 22.57 34.61 125.48 -162.73 -120.75 137.10 5.78 94.21 0.01 5.08 0.43 0.02 0.00 0.01 0.00 94.34 0.13 33 F E E 14.39 21.59 17.76 39.36 130.23 -174.24 -129.61 146.22 0.71 99.29 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.34 0.01 34 K E E 70.35 10.20 24.79 35.38 120.58 -145.95 -110.66 132.29 0.30 99.70 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 35 V E E 7.21 22.85 16.58 39.85 122.40 -168.85 -117.89 132.10 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 36 R E E 101.52 7.42 22.20 30.22 116.09 -155.37 -103.72 125.32 2.96 97.03 0.01 2.59 0.21 0.02 0.00 0.00 0.00 97.06 0.12 37 C C C 22.65 15.32 12.07 27.82 129.65 173.32 -121.51 169.44 72.42 27.53 0.04 68.73 2.06 0.15 0.01 0.03 0.00 28.55 0.45 38 S C S 84.43 2.56 16.08 19.23 93.69 -88.01 -64.11 -32.69 99.59 0.29 0.12 1.49 77.49 20.69 0.00 0.10 0.00 0.18 0.04 39 R C S 165.43 2.28 15.64 18.34 102.88 16.64 -106.35 -13.33 99.49 0.40 0.11 1.14 77.64 20.79 0.00 0.10 0.00 0.28 0.05 40 Y E E 85.82 8.53 15.59 25.64 136.29 25.55 -145.46 154.60 31.16 68.81 0.03 25.18 4.76 0.19 0.00 0.03 0.00 69.36 0.49 41 L E E 56.60 13.16 16.95 30.82 120.87 -137.76 -113.19 131.17 1.80 98.20 0.00 1.74 0.05 0.00 0.00 0.00 0.00 98.15 0.06 42 Y E E 31.15 16.67 19.30 36.57 127.93 -172.60 -124.43 143.98 0.43 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 43 T E E 30.54 14.04 23.00 37.51 121.37 -154.66 -112.07 132.76 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 44 L E E 8.17 22.91 20.32 43.28 120.98 -164.21 -113.51 130.19 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 45 V E E 34.00 11.80 25.57 38.29 117.91 -155.08 -106.02 125.80 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.01 46 V E E 8.06 22.16 14.55 37.21 122.03 -167.02 -113.04 135.40 12.11 87.88 0.01 12.06 0.21 0.01 0.00 0.00 0.00 87.34 0.38 47 N C S 100.63 4.80 21.20 26.85 97.07 -166.07 -91.70 -16.34 96.96 3.01 0.03 14.92 81.50 0.54 0.00 0.02 0.00 2.93 0.09 48 D C C 69.73 5.58 18.43 25.05 112.28 66.35 -110.91 113.96 98.66 0.98 0.36 64.33 33.66 0.88 0.22 0.11 0.00 0.44 0.36 49 K H H 109.05 10.50 13.49 25.01 93.04 -157.39 -62.69 -35.66 3.15 0.01 96.85 0.58 0.60 1.85 95.64 1.33 0.00 0.00 0.00 50 K H H 144.71 1.12 20.49 19.66 91.54 54.15 -63.73 -41.18 1.60 0.00 98.39 0.15 0.16 1.21 96.85 1.62 0.01 0.00 0.00 51 K H H 76.06 8.23 18.57 27.77 92.18 47.14 -66.42 -39.87 0.87 0.00 99.13 0.12 0.07 0.60 97.46 1.74 0.00 0.00 0.00 52 A H H 3.86 22.72 12.21 35.29 91.10 51.89 -62.76 -42.96 0.61 0.00 99.39 0.10 0.05 0.37 98.87 0.61 0.00 0.00 0.00 53 D H H 72.52 4.83 21.91 27.04 91.22 51.05 -63.44 -40.77 1.67 0.00 98.33 0.14 0.07 1.29 97.59 0.91 0.00 0.00 0.00 54 K H H 108.95 2.56 22.96 24.35 91.55 50.56 -64.20 -42.27 1.55 0.00 98.44 0.09 0.06 1.24 96.28 2.34 0.00 0.00 0.00 55 I H H 11.71 20.11 15.90 36.29 91.87 49.82 -64.35 -42.17 0.83 0.00 99.17 0.09 0.04 0.57 96.54 2.75 0.00 0.00 0.00 56 E H H 63.28 16.71 16.69 32.59 91.13 53.83 -62.52 -37.61 2.00 0.01 97.99 0.17 0.10 1.58 93.78 4.35 0.00 0.00 0.00 57 R H H 173.87 1.39 20.69 21.11 91.68 55.48 -69.75 -25.33 23.19 0.02 76.79 0.30 0.46 23.46 71.55 4.19 0.01 0.01 0.01 58 S C T 58.84 7.25 17.73 25.84 94.36 53.11 -87.11 -10.07 54.55 0.04 45.42 0.93 1.71 51.52 42.86 2.93 0.01 0.01 0.03 59 I C S 22.87 22.56 9.66 31.03 117.21 96.23 -84.14 137.46 97.91 0.79 1.30 20.92 75.90 1.00 1.17 0.14 0.00 0.15 0.73 60 H C C 97.15 6.35 18.67 25.74 115.08 -111.84 -71.94 143.05 99.40 0.25 0.36 95.81 2.80 0.86 0.13 0.15 0.00 0.11 0.13 61 P C T 87.29 7.84 14.01 22.83 101.33 -103.81 -64.76 5.94 96.93 0.50 2.58 12.82 12.71 71.50 0.65 1.80 0.00 0.31 0.21 62 S C T 80.88 3.21 17.75 21.52 97.28 48.48 -75.90 4.84 93.91 3.20 2.89 13.27 11.79 68.87 0.64 2.13 0.00 2.92 0.39 63 V C C 30.47 19.57 9.12 27.70 118.02 121.04 -91.19 136.01 71.46 25.77 2.78 55.32 13.58 2.05 1.13 1.52 0.00 25.00 1.39 64 K E E 128.60 3.49 20.96 24.88 115.97 -145.13 -98.11 130.34 24.92 73.50 1.58 23.32 1.34 0.53 0.80 0.65 0.00 72.22 1.15 65 K E E 85.41 16.67 12.86 28.72 120.41 -155.38 -106.30 134.25 16.67 81.83 1.50 15.41 0.99 0.33 0.92 0.43 0.00 81.29 0.63 66 I E E 73.16 8.11 17.86 27.23 123.22 -169.82 -120.37 134.73 15.47 82.89 1.64 14.47 0.77 0.27 1.05 0.42 0.00 82.53 0.50 67 A E E 63.26 7.78 17.53 26.34 113.32 -128.38 -80.78 131.30 24.16 74.39 1.45 23.13 0.87 0.30 0.93 0.42 0.00 73.35 0.99 68 V C C 41.03 15.67 11.77 27.35 112.99 -156.92 -95.84 120.71 66.95 16.36 16.69 59.18 4.17 2.98 11.89 4.22 0.00 16.48 1.08 69 T C C 79.15 4.59 18.20 23.21 111.28 -134.32 -89.14 133.83 65.33 8.37 26.31 48.98 9.05 6.80 19.70 7.11 0.02 7.08 1.27 70 A C C 56.92 8.72 13.70 23.18 99.87 46.08 -74.50 -17.78 55.94 4.58 39.47 36.79 11.14 8.46 29.07 10.34 0.03 3.05 1.13 71 R C H 129.44 6.15 14.59 21.80 100.10 69.88 -79.16 -24.09 49.07 3.28 47.65 31.26 9.85 8.92 36.84 10.14 0.03 2.00 0.95 72 S C H 59.86 6.04 14.69 21.88 101.03 57.07 -79.85 -13.22 49.72 2.72 47.56 32.19 8.91 9.45 38.23 8.72 0.02 1.63 0.85 73 H C H 98.21 7.87 13.92 22.61 98.47 71.28 -77.71 -22.43 50.22 2.76 47.03 32.10 9.54 9.81 39.08 6.95 0.03 1.54 0.94 74 A C H 54.52 7.55 12.95 21.66 97.65 75.20 -68.21 -35.92 52.40 2.66 44.93 33.63 10.53 9.14 38.88 5.43 0.02 1.45 0.92 75 K C C 128.75 3.81 14.27 19.18 97.48 55.58 -75.69 -26.03 59.78 3.20 37.02 40.27 10.35 9.09 32.21 5.11 0.02 1.87 1.07 76 T C C 79.56 5.75 12.51 19.50 99.61 66.69 -77.76 -24.26 62.55 4.44 33.01 40.86 9.87 11.65 28.14 5.25 0.02 2.71 1.50 77 N C C 100.67 4.68 11.80 17.90 100.83 53.98 -85.75 2.63 71.71 4.45 23.83 47.27 10.48 13.43 19.82 4.61 0.01 2.56 1.82 78 A C C 69.86 4.91 10.35 16.88 103.76 94.27 -80.41 4.47 75.34 4.19 20.47 42.06 14.47 19.16 14.65 5.62 0.02 2.47 1.56 79 G C C 53.64 2.80 11.13 15.37 105.56 29.03 64.35 -5.58 79.96 3.97 16.07 34.12 20.40 26.70 8.28 6.81 0.02 2.31 1.37 80 S C C 82.07 2.86 8.95 13.48 107.94 85.11 -85.88 92.27 80.29 6.71 13.00 48.77 17.22 14.98 5.49 7.06 0.01 4.44 2.03 81 K C C 148.00 2.66 8.27 12.72 109.48 131.30 -89.78 106.55 86.40 6.65 6.95 77.36 2.32 7.53 3.16 2.75 0.00 4.55 2.32 82 Q C C 134.21 2.64 10.62 15.04 111.29 -147.35 -90.24 122.15 99.84 0.14 0.03 99.77 0.08 0.05 0.01 0.00 0.00 0.07 0.01