# 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 87.56 9.58 12.38 22.69 112.92 -163.74 -93.54 132.70 99.86 0.07 0.07 99.74 0.11 0.06 0.04 0.00 0.00 0.03 0.01 1 N C C 94.70 3.91 13.47 18.27 106.59 -130.14 -79.00 124.40 75.45 0.43 24.12 71.08 0.81 3.04 24.00 0.71 0.00 0.15 0.22 2 N H H 90.82 7.71 11.94 20.50 94.96 -98.48 -65.22 -34.43 19.31 0.18 80.51 9.94 3.16 6.53 78.13 2.08 0.01 0.07 0.09 3 A H H 61.41 3.91 14.49 19.51 92.98 55.28 -64.97 -39.16 8.97 0.08 90.94 3.70 1.44 3.98 88.26 2.52 0.01 0.04 0.04 4 R H H 115.75 5.17 16.68 22.86 92.34 51.62 -65.81 -39.44 4.18 0.07 95.75 1.87 0.66 1.87 92.67 2.86 0.01 0.04 0.02 5 L H H 35.58 15.34 15.05 30.81 91.86 51.80 -64.26 -41.22 2.24 0.04 97.72 0.77 0.29 1.19 95.08 2.62 0.00 0.03 0.01 6 Y H H 80.92 12.33 17.93 30.44 91.65 52.42 -64.54 -37.89 2.37 0.05 97.58 0.57 0.26 1.48 94.31 3.33 0.01 0.04 0.01 7 Q H H 94.34 5.66 21.60 27.85 91.67 55.33 -65.24 -36.08 5.56 0.10 94.34 0.79 0.52 4.07 89.66 4.84 0.02 0.07 0.03 8 V H H 33.57 15.81 19.44 35.17 92.84 52.46 -68.49 -35.20 12.17 0.37 87.46 1.22 1.24 9.85 82.99 4.21 0.14 0.24 0.12 9 L H H 24.19 21.41 18.27 39.17 96.37 55.37 -81.56 -10.15 20.91 13.46 65.63 4.34 3.55 14.34 61.90 3.79 0.56 8.68 2.84 10 R E E 99.53 12.45 21.62 33.57 109.79 91.75 -87.96 102.19 40.68 48.33 10.99 24.70 10.82 5.48 11.18 1.87 0.26 33.95 11.75 11 G C C 24.46 12.93 20.64 33.19 131.34 88.99 -117.35 166.51 59.15 40.61 0.24 39.31 19.41 0.73 0.10 0.14 0.00 38.85 1.45 12 P C C 46.52 15.57 18.19 33.39 115.06 -87.62 -67.98 148.61 55.26 44.51 0.23 49.84 4.22 0.43 0.10 0.14 0.00 42.64 2.64 13 V C C 57.49 13.42 19.28 32.80 113.05 -133.28 -94.73 124.10 51.73 47.95 0.32 46.05 4.26 0.39 0.22 0.16 0.00 33.38 15.55 14 F C C 74.19 16.00 15.23 30.91 117.15 -162.01 -106.66 125.46 82.75 17.03 0.21 74.65 7.53 0.50 0.10 0.12 0.00 13.91 3.17 15 S C C 38.97 7.94 16.13 25.41 130.52 164.68 -111.72 170.89 96.44 2.85 0.71 80.14 16.06 0.53 0.64 0.16 0.00 1.45 1.01 16 E H H 144.76 1.97 16.34 18.86 90.94 -96.07 -59.38 -37.33 9.37 0.08 90.55 1.58 2.62 5.44 88.38 1.86 0.04 0.03 0.04 17 K H H 118.33 4.12 17.99 22.97 92.06 51.68 -64.85 -40.22 7.75 0.10 92.14 1.48 1.20 5.20 89.50 2.47 0.04 0.06 0.04 18 S H H 10.30 19.91 12.68 32.48 92.29 50.05 -65.73 -39.92 5.10 0.19 94.70 1.99 0.88 2.56 91.42 2.96 0.02 0.13 0.05 19 Q H H 78.81 9.45 18.12 28.12 91.94 53.23 -63.82 -41.20 4.24 0.26 95.50 1.80 0.72 1.98 93.24 2.00 0.02 0.18 0.06 20 M H H 106.23 1.86 21.98 21.93 92.03 49.66 -64.98 -41.43 5.78 0.52 93.70 1.95 0.96 3.23 91.58 1.76 0.05 0.34 0.12 21 L H H 38.76 10.26 16.86 28.70 92.43 49.15 -65.72 -41.22 7.80 0.79 91.40 2.61 1.47 4.38 89.31 1.46 0.09 0.45 0.23 22 G H H 11.09 17.83 12.31 29.96 92.77 52.31 -63.84 -41.57 10.74 0.46 88.79 3.37 1.70 6.24 86.24 1.95 0.07 0.27 0.16 23 D H H 109.26 2.31 17.38 20.16 94.09 46.38 -69.33 -37.16 13.60 0.23 86.16 1.90 1.85 10.33 82.36 3.17 0.14 0.12 0.11 24 S H H 86.20 1.35 16.98 17.49 96.67 40.92 -77.33 -33.28 20.28 0.19 79.53 1.78 2.72 16.31 75.93 2.89 0.16 0.08 0.12 25 L H H 82.89 7.64 14.93 23.59 98.83 28.09 -99.39 -7.50 29.23 0.24 70.53 3.08 6.50 20.43 67.88 1.72 0.14 0.07 0.18 26 G C T 38.87 6.76 18.52 26.53 95.26 -119.32 69.76 27.47 99.14 0.45 0.41 42.24 13.17 43.80 0.11 0.25 0.00 0.37 0.07 27 V C C 28.25 16.25 17.24 33.92 126.61 131.89 -114.54 144.64 67.79 32.16 0.04 60.67 5.30 0.15 0.01 0.03 0.00 33.22 0.62 28 Q E E 26.08 17.49 22.94 40.26 117.47 -137.90 -100.06 133.17 9.73 90.26 0.01 9.80 0.21 0.01 0.00 0.00 0.00 89.73 0.23 29 V E E 17.75 19.63 23.88 42.96 123.33 -163.81 -117.46 133.94 2.23 97.77 0.00 2.23 0.03 0.00 0.00 0.00 0.00 97.70 0.03 30 F E E 9.54 22.92 22.77 45.13 127.18 -172.21 -123.78 141.77 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 31 K E E 64.66 13.43 26.92 40.29 117.02 -138.74 -98.82 129.47 0.17 99.83 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 32 I E E 7.19 24.19 16.82 41.15 132.80 -178.85 -132.13 152.51 2.10 97.89 0.00 2.20 0.03 0.00 0.00 0.00 0.00 97.54 0.22 33 D C C 46.67 8.81 22.58 32.28 112.37 -102.54 -70.81 139.48 66.36 33.63 0.02 66.23 0.53 0.03 0.00 0.01 0.00 32.70 0.50 34 S C T 53.18 13.82 15.74 29.80 90.99 -128.62 -64.48 -22.04 99.06 0.58 0.36 0.55 4.61 94.10 0.01 0.29 0.00 0.37 0.07 35 K C T 151.19 1.62 21.38 22.28 93.57 59.88 -88.20 -2.48 99.47 0.25 0.28 0.62 4.00 94.93 0.01 0.25 0.00 0.17 0.02 36 A C C 9.25 21.54 9.68 31.05 116.68 120.85 -68.73 141.21 98.89 1.01 0.10 76.21 22.63 0.16 0.03 0.06 0.00 0.38 0.53 37 T C C 64.63 3.63 24.66 27.34 125.40 -139.17 -91.33 163.98 92.40 7.49 0.11 91.99 0.86 0.03 0.08 0.01 0.00 0.88 6.16 38 K H H 83.80 16.07 14.75 30.24 90.90 -106.05 -58.01 -39.33 0.73 0.00 99.27 0.08 0.08 0.44 99.31 0.09 0.00 0.00 0.00 39 L H H 100.91 2.63 22.49 24.42 91.39 52.71 -63.76 -40.25 0.28 0.00 99.72 0.02 0.02 0.19 99.70 0.07 0.00 0.00 0.00 40 E H H 63.64 10.07 20.91 31.50 91.91 49.11 -65.47 -40.56 0.09 0.00 99.91 0.01 0.00 0.06 99.87 0.06 0.00 0.00 0.00 41 V H H 1.22 27.49 15.87 44.42 90.82 49.88 -63.32 -43.69 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 42 K H H 74.32 14.43 22.59 35.90 91.33 51.38 -61.87 -42.47 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 43 K H H 110.85 2.81 26.95 29.00 91.56 50.00 -64.33 -42.05 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 44 A H H 7.38 17.29 21.32 39.32 91.31 50.20 -63.77 -43.17 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 45 V H H 1.88 26.76 18.35 45.67 91.34 49.91 -63.65 -42.84 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 46 E H H 77.66 10.62 21.00 31.71 91.53 52.06 -63.16 -39.48 0.17 0.00 99.83 0.01 0.00 0.14 99.76 0.09 0.00 0.00 0.00 47 L H H 89.63 5.10 22.61 27.82 92.05 50.76 -66.58 -38.75 1.45 0.00 98.55 0.03 0.03 1.44 98.29 0.21 0.00 0.00 0.00 48 M H H 33.95 18.32 17.54 35.35 95.65 43.99 -75.82 -32.43 5.47 0.01 94.52 0.12 0.19 5.33 94.13 0.21 0.01 0.00 0.00 49 F C H 18.35 21.48 12.88 34.17 104.08 35.03 -109.95 29.88 56.80 1.07 42.13 20.29 9.94 25.02 42.66 1.03 0.02 0.34 0.70 50 E C T 145.30 2.80 19.12 22.76 103.44 -143.86 -30.11 93.83 97.86 0.65 1.50 27.26 10.52 60.37 0.74 0.52 0.00 0.37 0.21 51 G C T 52.13 3.24 19.20 22.81 96.99 12.47 85.46 -0.20 99.03 0.64 0.33 23.78 19.30 56.06 0.07 0.23 0.00 0.49 0.07 52 V C C 15.12 22.49 9.99 31.91 119.19 117.30 -101.47 133.93 76.23 23.67 0.10 64.51 10.58 0.44 0.02 0.08 0.00 23.87 0.51 53 E E E 108.61 3.70 25.39 29.00 113.97 -142.02 -97.55 125.53 33.38 66.54 0.08 32.08 0.79 0.09 0.02 0.05 0.00 66.29 0.69 54 V E E 18.91 23.53 11.64 34.74 111.96 -141.85 -88.04 121.56 5.77 94.21 0.01 6.01 0.10 0.01 0.00 0.01 0.00 93.67 0.19 55 L E E 84.91 4.87 21.61 27.05 99.71 177.29 -90.68 -35.38 6.43 93.55 0.02 4.53 1.48 0.08 0.00 0.01 0.00 93.86 0.03 56 K E E 91.70 4.88 24.14 29.88 139.86 -1.30 -155.60 152.81 1.30 98.69 0.01 0.97 0.14 0.01 0.00 0.00 0.00 98.87 0.01 57 V E E 24.06 23.72 12.59 35.56 125.40 -162.64 -132.10 131.40 0.67 99.32 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.37 0.01 58 N E E 63.88 6.85 25.11 32.22 125.78 -173.61 -124.73 138.26 0.89 99.11 0.00 0.73 0.04 0.00 0.00 0.00 0.00 99.22 0.01 59 T E E 39.93 19.76 14.34 33.20 125.50 -161.72 -122.29 136.02 1.17 98.83 0.00 1.06 0.03 0.00 0.00 0.00 0.00 98.89 0.02 60 L E E 61.30 8.87 20.12 30.03 124.81 -170.70 -121.65 136.86 1.61 98.39 0.00 1.40 0.08 0.00 0.00 0.00 0.00 98.46 0.05 61 N E E 77.09 10.67 16.48 27.91 114.82 -140.75 -98.94 124.53 4.70 95.29 0.01 3.94 0.45 0.02 0.00 0.00 0.00 95.48 0.11 62 V E E 46.84 11.69 13.77 26.90 120.27 -170.32 -114.91 132.58 18.28 81.66 0.06 17.02 0.93 0.11 0.01 0.04 0.00 81.00 0.89 63 K E E 140.63 3.00 17.28 21.32 114.19 -126.84 -84.01 134.05 45.20 54.66 0.14 37.53 5.65 0.83 0.02 0.12 0.00 55.28 0.57 64 G E E 30.01 11.34 11.09 22.72 124.58 -128.85 -87.01 166.46 46.60 53.28 0.12 34.88 9.99 1.30 0.01 0.13 0.00 53.09 0.60 65 K E E 123.77 3.54 15.71 20.38 123.54 -97.03 -109.60 146.36 19.70 80.21 0.09 17.87 1.49 0.20 0.02 0.06 0.00 79.47 0.89 66 T E E 83.30 7.05 10.89 19.67 117.56 -128.67 -95.57 134.18 10.00 89.96 0.04 9.40 0.47 0.07 0.01 0.02 0.00 89.62 0.41 67 K E E 102.80 5.05 11.44 18.53 125.03 -172.47 -123.88 143.90 6.14 93.81 0.05 5.32 0.55 0.10 0.01 0.02 0.00 93.82 0.17 68 R E E 162.36 2.75 9.30 14.22 115.52 -132.60 -95.74 127.92 9.65 90.28 0.06 8.32 0.83 0.16 0.02 0.03 0.00 90.25 0.39 69 F E E 128.34 3.32 8.16 13.48 114.68 -176.67 -123.91 108.39 27.34 72.39 0.26 22.05 4.04 1.20 0.06 0.21 0.00 71.52 0.92 70 G C T 65.52 0.40 10.63 9.79 109.04 -51.15 62.81 -123.64 98.45 1.04 0.51 8.81 21.93 67.63 0.04 0.56 0.00 0.90 0.13 71 K C T 184.48 0.37 9.31 8.69 97.16 -17.49 -91.06 -0.92 98.74 0.73 0.53 8.39 22.13 68.13 0.04 0.59 0.00 0.62 0.11 72 N E E 100.57 2.50 8.94 13.40 123.69 84.97 -109.73 144.82 24.42 75.42 0.16 17.31 7.13 1.25 0.03 0.14 0.00 73.08 1.06 73 I E E 116.20 4.02 9.24 15.53 119.37 -142.05 -105.42 135.41 12.10 87.87 0.03 10.24 1.00 0.13 0.01 0.02 0.00 88.32 0.29 74 G E E 30.90 5.07 12.61 19.48 136.22 162.42 -147.67 175.45 6.82 93.17 0.02 5.47 0.86 0.12 0.00 0.01 0.00 93.39 0.14 75 R E E 148.75 4.48 13.06 19.71 122.52 -97.49 -110.40 142.24 5.94 94.05 0.01 5.43 0.36 0.03 0.00 0.01 0.00 93.09 1.08 76 R E E 93.56 10.96 11.02 22.85 122.72 -155.50 -107.44 144.84 39.37 60.55 0.07 37.02 1.50 0.17 0.02 0.06 0.00 60.18 1.06 77 N C C 93.65 4.99 16.20 22.22 114.95 -118.14 -83.51 147.95 73.96 25.93 0.10 57.49 13.06 1.19 0.01 0.12 0.00 27.63 0.50 78 D C C 70.96 9.83 15.32 25.71 104.35 -114.94 -82.74 73.35 72.26 27.62 0.12 46.35 22.34 1.93 0.01 0.15 0.00 28.77 0.46 79 Y E E 61.51 12.99 16.26 30.12 127.11 121.53 -113.49 148.22 20.78 79.18 0.04 18.29 1.92 0.18 0.00 0.04 0.00 79.02 0.55 80 K E E 42.86 15.57 18.57 34.53 122.66 -144.68 -112.54 138.24 3.15 96.84 0.00 2.90 0.14 0.01 0.00 0.00 0.00 96.85 0.09 81 K E E 57.40 13.60 22.54 36.12 124.48 -157.57 -116.80 139.38 0.71 99.29 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.29 0.02 82 A E E 5.77 22.08 18.46 40.98 126.71 -164.76 -121.50 140.55 0.42 99.58 0.00 0.41 0.00 0.00 0.00 0.00 0.00 99.57 0.01 83 Y E E 55.21 11.83 25.29 37.83 119.58 -154.35 -111.36 128.81 0.37 99.63 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 84 V E E 6.38 23.82 18.75 43.03 121.11 -166.44 -116.28 131.08 0.92 99.08 0.00 0.91 0.01 0.00 0.00 0.00 0.00 99.06 0.01 85 T E E 40.51 10.68 25.94 37.08 123.21 -165.51 -114.49 136.55 2.29 97.71 0.00 2.26 0.05 0.00 0.00 0.00 0.00 97.62 0.08 86 L E E 14.11 22.05 13.49 35.55 121.64 -152.23 -99.99 144.18 15.09 84.90 0.01 15.11 0.30 0.02 0.00 0.01 0.00 83.21 1.35 87 K C C 100.89 5.30 19.93 25.63 117.62 -114.26 -73.60 152.94 92.15 7.71 0.14 89.99 1.77 0.30 0.02 0.10 0.00 7.32 0.49 88 A C T 79.95 4.73 14.55 21.15 110.33 -85.80 -60.10 136.53 96.88 2.25 0.87 1.48 6.55 89.25 0.06 0.75 0.00 1.59 0.32 89 G C T 59.58 1.42 16.10 17.24 97.69 24.09 88.22 -4.83 97.42 1.89 0.69 3.27 6.31 87.95 0.03 0.72 0.00 1.57 0.15 90 H C C 76.75 12.03 11.16 23.80 118.18 124.98 -89.14 140.27 86.79 12.75 0.45 81.40 4.93 0.50 0.10 0.34 0.00 10.90 1.82 91 D C C 99.30 4.29 18.06 24.06 117.82 -155.02 -106.43 131.48 67.33 32.26 0.41 65.69 1.34 0.35 0.19 0.20 0.00 23.78 8.44 92 V C C 32.91 19.34 11.29 30.16 117.62 -156.74 -105.76 128.07 77.35 21.78 0.87 74.86 1.71 0.52 0.36 0.39 0.00 19.50 2.65 93 Q C C 102.47 5.15 19.86 25.87 109.94 -148.80 -97.23 115.43 82.08 15.49 2.42 76.86 3.32 1.57 1.01 1.19 0.00 13.44 2.61 94 M C C 65.79 16.11 12.85 28.46 98.99 -166.23 -85.86 -11.95 70.28 5.84 23.88 49.46 9.08 11.89 7.63 16.35 0.01 3.87 1.72 95 A C T 64.64 6.45 15.23 22.80 99.09 72.99 -74.52 -26.68 66.19 3.85 29.96 23.96 14.44 28.63 9.04 20.07 0.05 2.24 1.57 96 D C C 100.26 3.71 16.01 20.54 98.47 50.99 -87.97 10.40 67.21 3.05 29.74 27.92 14.14 26.29 8.77 19.87 0.02 1.61 1.39 97 A C C 40.34 14.06 10.97 24.79 103.63 107.79 -80.32 25.74 74.03 2.65 23.32 36.73 16.78 20.99 11.21 11.65 0.02 1.33 1.30 98 G C C 41.89 7.50 14.92 23.21 105.68 19.93 67.80 3.85 74.83 3.67 21.51 39.49 16.22 19.64 11.01 10.11 0.02 2.04 1.46 99 E C C 116.09 6.06 13.57 20.99 110.02 94.15 -87.83 104.25 69.68 5.94 24.38 46.94 14.56 8.38 15.72 8.72 0.02 3.84 1.83 100 E C C 120.29 5.28 13.82 20.61 111.59 -139.74 -91.18 122.09 66.11 10.69 23.21 50.05 9.36 6.28 17.41 6.23 0.02 8.06 2.59 101 V C C 74.41 9.83 11.32 21.97 114.07 -146.39 -93.56 128.03 65.19 11.63 23.18 51.96 6.97 5.44 19.09 4.66 0.02 8.99 2.87 102 A C C 65.79 6.46 12.82 20.68 110.82 -134.62 -80.44 126.54 70.05 6.74 23.21 48.04 12.14 9.20 19.70 4.31 0.02 4.99 1.60 103 N C C 103.12 4.81 13.42 19.66 109.93 -127.26 -94.14 108.11 72.94 4.69 22.36 46.41 15.37 10.90 18.32 4.58 0.02 3.04 1.34 104 T C C 77.27 7.60 11.14 19.92 105.79 151.53 -90.04 36.90 65.04 3.91 31.05 42.17 13.36 9.46 25.69 5.66 0.02 2.30 1.35 105 T C C 88.66 4.21 12.70 18.29 105.28 72.53 -85.74 30.22 60.71 2.95 36.35 35.21 14.25 11.97 29.32 6.51 0.03 1.61 1.09 106 A C H 66.80 5.62 12.10 19.05 104.81 61.27 -81.37 43.28 57.20 2.59 40.21 31.43 16.18 11.03 31.84 7.16 0.04 1.35 0.98 107 S C C 67.02 5.49 12.19 19.08 106.71 56.66 -84.40 92.55 56.18 3.04 40.78 37.84 10.02 8.98 33.57 6.74 0.02 1.77 1.06 108 T C H 86.00 5.81 11.51 18.72 106.28 61.34 -88.20 33.47 51.68 4.28 44.03 33.98 10.14 8.74 37.04 6.13 0.03 2.65 1.28 109 S C C 73.32 4.45 12.06 17.96 107.94 83.99 -88.10 94.84 52.78 5.81 41.42 35.78 9.56 8.31 35.19 5.73 0.04 3.91 1.47 110 E C C 119.48 4.81 11.91 18.32 109.35 73.49 -89.17 105.87 51.52 8.29 40.18 35.27 8.98 8.12 34.62 5.17 0.05 5.92 1.87 111 T C C 80.08 5.85 11.58 18.94 112.72 -150.55 -94.42 131.24 54.02 8.53 37.45 37.69 8.41 8.35 32.67 4.73 0.04 6.02 2.09 112 A C C 63.50 6.69 9.73 17.85 107.98 -128.95 -81.62 123.20 59.94 6.61 33.45 37.88 10.12 12.44 27.76 5.51 0.04 4.42 1.83 113 N C C 111.64 3.32 10.46 15.35 105.49 -106.64 -89.98 60.05 69.50 5.10 25.40 36.39 12.79 21.14 19.35 5.57 0.05 3.08 1.64 114 N C C 112.90 3.34 8.99 14.11 105.44 102.98 -89.69 62.24 83.55 2.62 13.84 63.83 2.93 17.31 10.12 3.03 0.00 1.66 1.12 115 E C C 132.01 3.39 11.08 16.21 107.45 146.24 -86.25 95.80 99.83 0.13 0.05 99.65 0.14 0.10 0.03 0.00 0.00 0.07 0.02