# 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 98.25 8.34 16.83 25.90 117.84 -149.54 -94.68 136.85 99.95 0.04 0.00 99.88 0.08 0.01 0.00 0.00 0.00 0.02 0.00 1 N C C 88.01 8.46 15.88 25.18 111.32 -110.62 -71.64 142.08 98.23 1.33 0.44 93.05 0.97 4.52 0.08 0.23 0.00 0.81 0.33 2 Q C C 73.79 12.75 15.79 28.52 112.04 -141.73 -98.76 108.17 90.62 8.75 0.63 61.81 19.38 8.99 0.07 0.81 0.00 7.98 0.95 3 N C C 45.34 14.67 19.14 33.67 103.84 126.32 -100.10 16.37 60.29 39.33 0.38 46.26 11.85 1.51 0.04 0.43 0.00 39.10 0.82 4 T E E 27.51 15.02 22.37 37.87 125.20 111.45 -114.69 141.66 9.22 90.76 0.01 8.38 0.58 0.03 0.00 0.01 0.00 90.74 0.25 5 L E E 5.36 24.21 21.22 45.56 123.61 -163.76 -120.09 132.60 0.49 99.51 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.01 6 Y E E 51.11 14.16 27.08 41.33 117.77 -154.91 -104.78 128.49 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.01 7 V E E 3.53 25.46 19.62 45.72 119.02 -167.08 -116.19 125.77 0.75 99.25 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.19 0.04 8 N E E 52.90 10.60 24.41 35.20 134.83 171.04 -132.48 157.72 13.41 86.53 0.06 8.20 3.85 1.26 0.00 0.07 0.00 86.39 0.24 9 N C S 80.87 6.55 24.78 32.55 93.00 17.03 62.37 38.56 86.42 13.51 0.07 23.14 55.27 6.43 0.00 0.10 0.00 14.76 0.30 10 L C C 10.46 24.71 12.03 36.58 116.65 172.80 -77.97 142.10 89.12 10.74 0.14 84.58 4.34 0.29 0.04 0.12 0.00 8.17 2.47 11 N C C 49.70 9.48 19.50 30.00 113.12 -105.15 -70.24 144.03 96.53 3.28 0.19 95.37 1.17 0.46 0.04 0.11 0.00 1.78 1.07 12 D C T 108.72 5.36 15.27 22.64 92.82 -127.85 -69.31 -18.01 99.34 0.33 0.34 1.39 9.73 88.27 0.03 0.29 0.00 0.20 0.09 13 K C T 155.50 1.42 18.43 19.03 93.24 63.59 -83.26 -9.29 99.28 0.44 0.29 2.49 8.41 88.41 0.02 0.26 0.00 0.33 0.06 14 I C C 21.37 20.64 8.32 27.82 116.43 102.20 -80.86 135.53 97.74 2.14 0.12 60.21 37.44 0.19 0.06 0.05 0.00 0.58 1.49 15 N C C 87.19 2.43 22.60 23.51 119.61 -128.40 -81.24 157.44 98.54 1.32 0.14 98.45 0.26 0.05 0.08 0.01 0.00 0.25 0.89 16 K H H 91.42 14.96 12.81 27.32 91.70 -111.86 -57.19 -39.34 1.83 0.01 98.17 0.34 0.18 1.10 97.68 0.68 0.00 0.00 0.00 17 N H H 110.83 1.89 19.80 21.34 91.40 53.42 -64.12 -39.26 1.26 0.00 98.74 0.18 0.09 0.84 97.96 0.92 0.00 0.00 0.00 18 D H H 63.48 6.54 19.74 27.10 91.74 49.75 -65.96 -39.87 0.64 0.01 99.35 0.17 0.06 0.34 98.56 0.87 0.00 0.00 0.00 19 L H H 5.12 24.24 14.98 39.41 91.35 50.49 -63.93 -43.28 0.25 0.00 99.74 0.07 0.02 0.11 99.70 0.10 0.00 0.00 0.00 20 R H H 79.72 15.14 20.81 34.96 91.24 51.35 -62.10 -42.64 0.18 0.00 99.82 0.03 0.01 0.09 99.84 0.03 0.00 0.00 0.00 21 T H H 69.40 3.58 25.13 28.06 91.72 49.22 -64.61 -41.93 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 22 A H H 17.97 13.75 21.79 36.10 91.59 49.90 -64.22 -42.31 0.33 0.00 99.67 0.02 0.01 0.23 99.69 0.05 0.00 0.00 0.00 23 L H H 2.47 26.40 19.49 46.05 91.20 49.64 -63.61 -43.00 0.38 0.00 99.62 0.03 0.02 0.28 99.53 0.15 0.00 0.00 0.00 24 Y H H 73.09 14.94 22.08 36.14 91.44 50.86 -63.30 -41.63 0.29 0.00 99.71 0.02 0.01 0.23 99.35 0.39 0.00 0.00 0.00 25 M H H 93.81 4.19 25.17 29.06 92.00 50.49 -65.20 -41.29 0.64 0.00 99.36 0.02 0.02 0.57 98.64 0.74 0.00 0.00 0.00 26 L H H 20.81 17.69 20.81 38.23 92.09 49.09 -65.89 -41.27 2.07 0.00 97.93 0.04 0.06 2.10 96.93 0.87 0.00 0.00 0.00 27 F H H 5.41 25.56 16.58 42.33 93.55 46.23 -73.13 -27.15 8.72 0.02 91.26 0.44 0.61 7.82 88.62 2.48 0.02 0.01 0.01 28 S H H 55.25 10.99 18.82 30.07 91.06 64.52 -67.26 -21.77 29.68 0.17 70.15 2.23 1.52 23.86 45.88 26.25 0.04 0.10 0.11 29 T H T 83.79 5.18 21.79 27.47 93.22 59.76 -78.63 -19.52 47.46 0.22 52.32 1.58 2.43 42.90 30.61 22.15 0.04 0.11 0.18 30 Y C T 55.58 16.41 16.78 32.88 103.78 33.76 -104.58 -19.58 55.32 0.59 44.10 2.64 7.21 44.02 24.88 20.27 0.16 0.30 0.52 31 G C S 16.02 9.19 22.57 32.86 144.66 -42.89 155.50 -178.83 95.71 3.98 0.31 14.90 75.64 5.38 0.05 0.21 0.00 3.33 0.48 32 T C C 65.12 7.78 24.26 32.38 114.98 -48.80 -73.14 138.67 85.35 14.57 0.08 81.48 2.70 0.27 0.01 0.06 0.00 15.04 0.44 33 V E E 10.55 24.16 14.06 38.62 111.46 -132.62 -87.45 121.66 2.79 97.21 0.00 2.94 0.06 0.00 0.00 0.00 0.00 96.29 0.70 34 V E E 57.70 8.96 23.89 33.48 100.70 176.93 -94.67 -32.73 3.93 96.07 0.00 2.57 1.18 0.03 0.00 0.00 0.00 96.19 0.02 35 D E E 55.03 8.69 26.12 35.60 138.38 0.78 -155.81 145.54 1.07 98.93 0.00 0.76 0.15 0.01 0.00 0.00 0.00 99.07 0.01 36 I E E 12.74 24.91 16.07 40.94 123.61 -165.86 -126.19 128.58 0.46 99.54 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 37 V E E 39.68 10.54 27.19 38.50 120.31 -168.79 -119.58 127.42 0.73 99.27 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.28 0.03 38 A E E 13.62 21.56 18.21 39.35 119.68 -156.61 -102.44 133.69 10.38 89.55 0.07 9.87 0.53 0.06 0.02 0.03 0.00 89.20 0.30 39 L C C 38.89 13.23 18.40 32.60 113.88 -138.72 -87.66 131.42 65.47 34.10 0.43 57.60 5.43 1.01 0.08 0.35 0.00 34.77 0.76 40 K C C 115.08 8.46 16.84 26.29 107.39 -147.50 -93.55 56.85 84.40 14.78 0.82 59.08 22.32 3.15 0.17 0.72 0.00 13.18 1.37 41 T C C 46.91 7.60 12.84 22.45 126.73 151.88 -120.75 153.26 88.40 9.63 1.98 54.53 30.69 3.49 0.59 1.41 0.00 5.54 3.76 42 P C G 110.13 2.40 12.66 16.20 91.88 -109.27 -61.08 -30.80 59.62 0.82 39.56 9.80 13.22 34.93 2.78 38.41 0.01 0.41 0.45 43 K C G 149.79 1.90 14.35 16.58 94.08 54.53 -74.05 -23.44 59.15 1.08 39.77 8.85 11.33 37.77 3.11 37.80 0.01 0.60 0.55 44 M C G 62.10 13.10 11.41 24.65 101.68 40.49 -100.18 11.83 53.47 7.48 39.04 22.40 12.62 20.67 3.36 34.36 0.03 4.69 1.87 45 R C T 128.73 7.34 18.27 26.52 107.02 158.13 -66.44 112.56 83.48 11.64 4.88 19.84 11.72 53.05 1.27 3.24 0.01 8.69 2.18 46 G C T 17.84 13.86 18.65 32.64 97.55 3.70 85.17 0.33 82.45 15.11 2.44 12.51 16.32 53.76 0.32 2.10 0.00 14.11 0.88 47 Q E E 42.66 13.09 23.03 36.71 126.39 119.53 -109.20 146.69 45.46 54.05 0.49 37.96 5.88 1.23 0.10 0.45 0.00 52.92 1.46 48 A E E 3.17 24.00 19.57 43.83 136.60 -166.68 -141.31 155.60 10.12 89.86 0.03 8.41 1.50 0.10 0.01 0.01 0.00 89.62 0.34 49 H E E 29.42 16.65 27.51 44.01 123.12 -143.56 -116.73 135.06 0.63 99.37 0.00 0.53 0.03 0.00 0.00 0.00 0.00 99.41 0.02 50 V E E 1.93 26.28 23.75 50.23 120.12 -164.16 -113.96 128.46 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 51 V E E 16.34 16.82 27.82 44.78 117.79 -160.53 -110.19 126.56 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 52 F E E 7.78 23.05 18.72 42.00 130.21 -172.91 -121.45 153.83 4.50 95.50 0.00 4.41 0.07 0.00 0.00 0.00 0.00 95.32 0.19 53 F C S 95.43 9.84 22.89 33.28 93.87 -130.00 -73.36 -27.81 98.96 1.03 0.01 5.02 93.86 0.25 0.00 0.00 0.00 0.85 0.03 54 D C S 65.85 6.09 24.53 31.04 129.65 23.90 -137.20 139.30 99.51 0.40 0.10 23.10 76.39 0.17 0.07 0.01 0.00 0.10 0.16 55 P H H 47.46 17.41 15.51 32.47 92.64 -130.74 -60.54 -36.36 1.59 0.00 98.41 0.10 0.12 1.22 98.06 0.49 0.00 0.00 0.00 56 S H H 72.82 2.60 25.05 27.28 91.61 54.02 -63.59 -40.57 1.03 0.00 98.97 0.07 0.05 0.82 98.48 0.58 0.00 0.00 0.00 57 A H H 16.37 13.35 20.85 35.13 91.72 49.70 -65.63 -40.71 0.23 0.00 99.77 0.03 0.01 0.13 99.41 0.41 0.00 0.00 0.00 58 A H H 1.95 25.96 16.89 43.30 91.28 52.11 -62.92 -43.08 0.10 0.00 99.90 0.01 0.00 0.05 99.89 0.05 0.00 0.00 0.00 59 A H H 37.02 10.08 24.81 35.26 91.45 50.80 -63.56 -42.83 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 60 I H H 80.72 4.12 27.65 31.85 91.46 49.48 -63.70 -42.31 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 61 A H H 2.63 23.43 19.67 43.42 91.21 50.23 -63.09 -43.55 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 62 M H H 20.84 22.03 20.55 41.44 91.10 50.81 -62.86 -41.41 0.08 0.00 99.92 0.00 0.00 0.07 99.85 0.07 0.00 0.00 0.00 63 K H H 130.33 3.02 24.96 28.19 91.22 51.16 -64.27 -38.92 0.31 0.00 99.69 0.01 0.01 0.31 99.21 0.47 0.00 0.00 0.00 64 A H H 43.38 10.15 21.47 32.03 91.42 53.05 -69.89 -27.59 3.59 0.00 96.41 0.02 0.04 4.31 94.99 0.63 0.00 0.00 0.00 65 L H H 6.85 23.74 14.34 38.57 95.54 48.27 -93.41 -7.48 30.59 0.02 69.40 0.44 0.59 30.13 67.38 1.44 0.01 0.00 0.02 66 K C T 92.03 12.54 16.85 29.73 111.93 116.92 -63.12 132.48 97.73 0.23 2.04 0.82 1.19 96.35 1.12 0.33 0.00 0.08 0.11 67 N C T 120.68 2.35 20.68 23.19 93.47 13.75 73.51 8.83 99.24 0.19 0.57 0.62 1.97 96.92 0.11 0.24 0.00 0.13 0.02 68 F C C 54.76 15.19 12.47 28.00 120.60 131.94 -82.33 147.64 91.97 7.87 0.17 80.17 10.93 0.36 0.06 0.10 0.00 8.05 0.34 69 I E E 101.35 4.61 20.81 26.02 114.41 -128.73 -94.74 127.38 3.85 96.10 0.05 3.70 0.22 0.04 0.03 0.02 0.00 91.70 4.29 70 F E E 16.62 22.68 10.88 32.88 119.43 -176.58 -126.93 121.12 4.60 95.27 0.14 2.85 1.14 0.50 0.05 0.09 0.00 92.74 2.63 71 F C T 96.98 10.62 14.90 26.68 93.48 -16.02 55.43 40.30 98.78 0.70 0.52 0.85 4.43 93.68 0.05 0.38 0.00 0.53 0.09 72 G C T 63.43 1.12 16.53 16.96 94.50 -49.90 79.57 2.35 99.45 0.17 0.38 0.91 5.67 92.93 0.03 0.31 0.00 0.12 0.02 73 K E E 93.63 7.53 13.65 22.95 126.76 104.28 -114.65 147.30 7.02 92.87 0.11 4.15 2.84 0.54 0.04 0.07 0.00 89.97 2.38 74 E E E 106.51 5.73 19.20 25.79 113.12 -111.02 -74.38 136.46 7.98 91.95 0.07 7.48 0.44 0.07 0.04 0.03 0.00 89.12 2.83 75 M C C 12.45 23.80 11.68 35.40 119.52 -144.57 -99.44 139.48 85.27 14.32 0.41 82.53 1.72 0.46 0.16 0.20 0.00 14.59 0.34 76 K E E 93.74 6.49 26.31 33.26 117.83 -146.91 -104.32 130.86 45.99 53.35 0.66 42.68 2.27 0.47 0.30 0.30 0.00 52.85 1.13 77 I E E 10.91 25.22 14.75 40.21 122.51 -162.48 -115.98 133.56 10.98 88.95 0.07 10.84 0.41 0.04 0.04 0.02 0.00 88.25 0.39 78 Q E E 70.28 7.80 26.28 34.76 133.86 177.61 -136.44 153.61 1.65 98.32 0.03 1.64 0.05 0.01 0.01 0.00 0.00 98.17 0.11 79 Y E E 67.50 18.65 18.99 36.61 116.66 -112.51 -82.57 138.98 3.88 96.06 0.07 3.81 0.12 0.02 0.04 0.01 0.00 95.63 0.35 80 A C C 15.61 19.21 14.91 33.98 117.49 -128.34 -86.18 144.84 53.42 45.73 0.85 49.92 2.05 0.42 0.37 0.35 0.00 46.03 0.86 81 H C C 131.89 4.46 20.49 25.84 106.41 -136.51 -88.88 89.67 79.17 17.89 2.94 61.18 14.01 3.42 1.23 1.62 0.00 17.12 1.42 82 S C C 39.33 12.54 13.80 26.68 124.90 84.37 -103.61 156.56 83.48 7.55 8.98 57.89 18.39 7.54 4.64 4.27 0.01 5.48 1.79 83 K C C 137.90 4.78 17.69 23.51 100.08 -133.44 -82.69 -6.24 76.60 3.38 20.02 48.68 17.58 10.30 13.21 7.01 0.01 1.86 1.36 84 S C C 44.22 11.98 13.84 26.15 109.93 95.67 -83.21 130.06 66.40 2.25 31.36 38.41 16.35 11.84 22.93 8.38 0.02 1.17 0.91 85 K C C 114.45 8.03 17.85 26.27 99.97 -140.59 -82.36 -2.40 59.56 3.52 36.92 37.49 12.23 9.75 30.23 7.06 0.03 2.18 1.03 86 I C H 54.99 11.97 17.14 29.71 100.24 89.67 -80.68 -19.71 47.09 8.34 44.57 33.73 8.18 5.92 38.81 5.49 0.04 6.22 1.61 87 I H H 43.66 16.65 15.86 31.82 98.64 57.01 -72.99 -34.87 34.67 12.95 52.38 25.87 5.01 4.80 45.61 5.78 0.06 11.23 1.63 88 E H H 85.35 9.61 18.18 28.10 96.81 62.43 -70.51 -34.72 32.70 13.01 54.28 23.02 4.70 5.59 46.07 7.05 0.05 12.25 1.25 89 R H H 116.81 7.60 18.59 26.57 97.12 55.11 -74.13 -31.26 34.13 13.01 52.86 23.30 4.93 6.68 44.67 6.95 0.07 11.96 1.45 90 I H H 49.34 14.45 14.79 29.20 98.27 57.48 -74.63 -31.45 40.61 9.98 49.42 28.50 6.22 6.90 43.27 5.26 0.07 8.15 1.62 91 V C H 66.36 9.79 16.15 26.48 99.28 57.57 -76.64 -29.36 52.59 5.25 42.15 35.41 7.47 9.53 38.82 3.89 0.03 3.57 1.27 92 A C C 56.26 7.48 14.83 23.23 98.70 55.25 -72.65 -24.82 67.81 1.97 30.22 40.04 11.02 16.30 25.82 4.94 0.01 1.13 0.75 93 E C C 103.12 6.69 14.42 22.16 99.37 60.22 -80.79 -14.21 73.79 1.93 24.28 45.41 11.59 16.53 18.87 5.66 0.00 1.07 0.86 94 N C C 78.90 9.28 12.15 22.18 102.16 65.34 -84.12 11.43 78.69 2.18 19.13 44.79 15.10 18.90 12.99 6.02 0.01 1.16 1.05 95 D C C 92.86 5.30 13.69 20.30 103.95 71.90 -89.97 47.48 83.87 2.35 13.78 48.74 18.13 16.96 8.83 4.97 0.00 1.23 1.13 96 S C C 64.60 7.13 11.43 19.90 104.43 146.39 -82.22 55.76 87.58 2.25 10.17 56.43 18.38 12.64 6.42 3.81 0.00 1.20 1.12 97 R C C 147.53 4.49 13.45 19.27 101.58 72.86 -85.37 0.35 88.01 2.16 9.84 56.65 20.52 10.58 6.87 3.11 0.00 1.00 1.27 98 G C C 30.59 7.49 13.50 22.23 119.78 -27.11 -38.13 174.73 87.46 1.11 11.43 56.27 25.38 5.34 9.61 2.32 0.00 0.47 0.61 99 P C C 76.55 5.96 14.39 21.62 100.71 -38.37 -68.37 -29.58 65.65 1.50 32.85 44.28 8.76 12.18 25.56 7.74 0.00 0.88 0.60 100 L C C 79.21 8.71 12.59 22.34 98.28 55.49 -71.69 -31.30 55.08 3.89 41.03 37.58 7.96 9.70 31.80 9.15 0.02 2.60 1.19 101 K C H 109.86 5.67 14.35 21.27 98.96 54.79 -70.70 -35.15 48.41 5.60 45.99 34.54 7.95 6.57 38.00 7.58 0.02 4.08 1.26 102 R C H 125.77 5.07 14.42 20.58 99.08 52.82 -71.71 -32.95 46.50 7.45 46.05 35.03 6.36 5.80 39.81 5.72 0.02 5.77 1.50 103 L H H 76.86 7.73 12.36 21.50 98.09 55.17 -70.79 -35.65 40.81 6.16 53.03 30.25 6.34 5.41 47.37 4.79 0.02 4.56 1.25 104 R H H 128.66 4.67 13.61 19.56 96.43 53.45 -71.36 -34.18 38.96 4.45 56.59 26.34 6.88 7.10 50.47 5.04 0.03 3.20 0.93 105 D H H 84.36 3.84 13.41 18.38 97.92 52.77 -74.32 -29.59 42.37 3.10 54.52 27.14 7.75 8.77 48.39 5.12 0.03 2.02 0.79 106 E H H 101.50 5.40 12.04 18.87 96.02 57.20 -70.91 -32.24 40.16 2.40 57.45 25.66 7.59 8.56 49.88 6.12 0.03 1.43 0.73 107 A H H 60.67 4.75 11.33 17.72 94.98 58.80 -70.09 -31.23 43.65 2.18 54.17 23.01 8.27 13.62 43.79 9.22 0.05 1.34 0.71 108 D C H 98.29 3.23 11.74 16.28 97.08 56.81 -77.09 -18.25 51.11 2.93 45.96 25.98 8.06 18.05 35.24 9.78 0.05 1.84 1.00 109 L C C 96.71 5.96 8.91 16.33 101.70 70.33 -81.77 -2.23 63.75 2.38 33.86 45.89 3.02 15.27 27.04 6.27 0.01 1.42 1.08 110 E C C 133.66 3.10 12.68 17.20 103.69 86.74 -81.67 75.21 99.57 0.09 0.34 99.21 0.15 0.28 0.29 0.01 0.00 0.05 0.01