# 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 72.25 12.92 15.84 28.46 103.78 75.30 -83.43 25.95 99.56 0.12 0.31 99.40 0.13 0.14 0.24 0.01 0.00 0.05 0.03 1 A C C 50.06 9.78 13.43 23.96 98.09 75.94 -68.17 -37.26 50.82 1.42 47.76 45.18 1.50 5.18 42.78 4.08 0.00 0.76 0.53 2 A H H 68.09 3.54 14.70 19.15 96.42 59.41 -67.92 -33.86 37.36 2.76 59.89 24.40 6.12 8.17 49.46 9.23 0.03 1.91 0.67 3 A H H 50.99 7.21 13.80 22.43 96.81 56.38 -70.91 -34.24 30.71 5.86 63.43 20.58 4.96 6.78 50.74 11.09 0.06 4.78 1.01 4 L H H 47.12 14.87 11.27 25.87 96.76 56.03 -73.11 -28.76 26.79 6.77 66.43 18.21 4.67 5.95 53.11 11.29 0.07 5.51 1.19 5 A H H 65.54 6.24 14.13 21.70 95.17 67.70 -66.77 -35.26 29.69 5.68 64.63 18.01 5.09 8.24 50.65 12.26 0.09 4.51 1.14 6 R H H 167.77 2.20 16.03 18.70 94.23 55.84 -70.46 -23.62 37.17 4.81 58.02 14.50 6.55 16.76 44.08 12.92 0.23 3.81 1.15 7 L C T 64.73 12.26 12.83 25.39 97.35 53.85 -88.80 -0.20 60.11 3.13 36.77 10.50 10.46 38.08 25.30 12.13 0.24 2.00 1.28 8 G C T 49.86 3.53 20.25 23.97 96.57 -113.68 74.05 21.65 93.03 2.93 4.03 23.18 12.83 57.75 1.71 1.85 0.00 2.10 0.58 9 L C C 25.02 21.16 10.86 31.18 119.80 141.18 -95.05 138.42 80.73 17.45 1.82 67.49 9.81 2.44 0.84 1.06 0.00 9.91 8.45 10 R C C 117.47 6.82 23.25 30.52 119.99 -132.70 -95.99 142.74 86.95 12.26 0.80 70.31 14.32 2.11 0.25 0.55 0.00 10.59 1.88 11 P C C 54.34 14.32 19.82 33.58 113.66 -103.83 -68.77 143.83 88.30 11.11 0.59 69.61 15.21 3.11 0.12 0.51 0.00 10.16 1.28 12 V C C 17.15 22.39 14.39 36.35 116.06 -131.90 -90.29 129.18 50.02 49.85 0.13 48.86 1.14 0.16 0.04 0.08 0.00 47.43 2.29 13 K C E 111.13 6.13 22.14 28.93 99.05 -171.18 -90.83 -29.54 53.66 46.31 0.03 26.23 26.78 0.36 0.00 0.03 0.00 46.37 0.23 14 Q E E 79.67 6.93 23.68 31.45 137.31 7.06 -150.75 147.00 4.30 95.69 0.01 3.31 0.69 0.04 0.00 0.01 0.00 95.89 0.06 15 V E E 9.08 24.64 14.58 39.54 123.72 -164.45 -127.13 129.91 0.52 99.48 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 16 R E E 96.64 7.94 26.06 34.48 117.16 -161.48 -111.12 125.29 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 17 V E E 8.02 24.50 16.66 41.49 124.41 -171.68 -121.55 135.02 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 18 Q E E 65.99 9.81 26.48 36.87 120.77 -164.79 -114.79 130.12 1.68 98.32 0.00 1.54 0.04 0.00 0.00 0.00 0.00 98.38 0.03 19 F E E 14.21 22.86 18.09 40.52 135.79 171.90 -136.96 155.55 17.17 82.83 0.00 16.21 0.85 0.01 0.00 0.00 0.00 81.89 1.03 20 C C C 19.18 14.02 21.35 36.42 109.01 -121.10 -94.67 115.17 97.61 2.38 0.01 97.14 0.86 0.03 0.00 0.00 0.00 1.76 0.21 21 P C T 32.86 16.31 17.12 34.40 92.31 -155.16 -66.63 -18.74 99.41 0.16 0.43 1.44 6.46 91.51 0.03 0.40 0.00 0.10 0.06 22 F C T 101.65 9.16 18.53 28.50 94.48 61.35 -88.53 -2.17 99.42 0.11 0.47 1.38 6.97 91.08 0.04 0.43 0.00 0.06 0.04 23 E C S 67.23 11.86 12.44 25.24 119.29 98.86 -84.45 143.61 96.54 2.25 1.21 37.74 56.89 1.63 0.38 0.67 0.00 0.75 1.95 24 K C T 165.46 1.45 17.32 18.69 93.69 -125.13 -64.23 -27.57 91.83 0.44 7.73 3.74 9.29 79.72 1.93 4.80 0.00 0.23 0.29 25 N C T 71.02 10.50 15.60 26.80 95.86 52.28 -90.34 7.97 92.96 0.35 6.69 9.50 6.17 77.82 2.99 3.12 0.00 0.17 0.23 26 V H H 18.20 20.62 13.11 33.33 94.99 104.01 -69.22 -24.50 35.40 0.44 64.16 29.51 3.63 4.44 57.60 4.40 0.00 0.16 0.26 27 E H H 112.11 4.11 24.23 28.82 92.19 72.10 -63.51 -40.86 5.16 0.04 94.79 2.31 0.74 2.09 94.01 0.80 0.00 0.02 0.02 28 S H H 22.58 13.13 22.34 35.94 91.71 51.22 -64.74 -41.02 3.22 0.04 96.74 1.05 0.46 1.69 95.87 0.88 0.01 0.02 0.01 29 T H H 2.89 25.61 19.70 45.35 91.39 50.94 -64.21 -41.93 1.03 0.01 98.96 0.28 0.13 0.56 98.52 0.52 0.00 0.00 0.00 30 R H H 72.17 14.97 24.24 38.17 91.57 52.14 -62.79 -41.59 0.22 0.00 99.78 0.05 0.02 0.10 99.75 0.08 0.00 0.00 0.00 31 T H H 58.31 7.18 26.99 34.89 91.64 50.43 -63.89 -41.87 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 32 F H H 5.66 24.31 22.22 46.06 91.33 50.25 -63.12 -44.00 0.27 0.00 99.72 0.03 0.02 0.17 99.73 0.05 0.00 0.00 0.00 33 L H H 7.35 24.06 22.07 45.34 91.19 50.17 -63.62 -42.03 0.49 0.00 99.51 0.05 0.03 0.33 99.45 0.13 0.00 0.00 0.00 34 Q H H 86.08 7.77 25.38 33.53 91.59 51.42 -64.25 -40.21 1.99 0.01 98.00 0.15 0.11 1.65 97.60 0.49 0.01 0.00 0.00 35 T H H 33.48 13.19 22.63 35.87 92.13 49.85 -65.94 -40.29 6.28 0.02 93.71 0.36 0.42 5.37 92.83 0.99 0.02 0.01 0.01 36 V H H 7.33 23.93 18.69 42.21 93.06 49.45 -70.83 -30.85 18.34 0.12 81.55 1.59 2.00 14.76 80.21 1.27 0.05 0.04 0.07 37 S C H 31.40 15.37 19.16 34.54 97.68 53.06 -93.38 -0.46 58.94 0.73 40.32 12.22 9.25 36.90 38.53 2.33 0.05 0.25 0.48 38 S C C 33.60 10.70 15.08 27.43 115.57 117.80 -72.01 142.18 89.72 0.98 9.30 56.49 29.77 2.47 9.53 0.75 0.00 0.23 0.76 39 E H H 138.10 2.85 16.28 20.47 92.21 -121.05 -60.12 -36.08 6.76 0.04 93.20 1.14 1.48 4.16 91.92 1.23 0.02 0.01 0.02 40 K H H 126.41 2.67 18.21 21.12 91.86 54.83 -64.56 -39.45 5.03 0.03 94.94 0.64 0.60 3.75 93.23 1.73 0.02 0.01 0.01 41 V H H 13.34 19.45 12.51 31.83 93.21 47.13 -67.35 -41.18 3.09 0.03 96.88 0.49 0.35 2.19 94.81 2.12 0.01 0.02 0.01 42 R H H 87.57 13.66 14.26 27.79 92.05 51.98 -65.62 -36.35 4.19 0.05 95.76 0.58 0.48 3.07 93.95 1.87 0.02 0.02 0.01 43 S H H 84.15 1.49 18.60 19.14 92.23 53.35 -70.27 -27.94 21.77 0.09 78.14 1.02 1.45 19.35 76.43 1.62 0.05 0.03 0.05 44 T H H 72.31 6.42 16.47 23.78 99.14 38.51 -91.32 -23.63 37.80 0.29 61.91 2.26 6.88 28.56 60.51 1.38 0.12 0.09 0.21 45 N C C 31.51 16.91 11.00 27.51 113.04 34.88 -126.18 92.39 95.24 2.77 2.00 77.65 14.33 3.00 1.19 0.80 0.00 1.39 1.63 46 L C T 114.68 4.24 16.54 22.44 94.53 -167.73 -69.23 -18.78 96.39 1.96 1.65 6.27 17.34 72.96 0.22 1.38 0.00 1.44 0.40 47 N C T 111.62 3.09 19.24 22.77 96.47 56.67 -89.98 2.87 95.60 3.40 1.00 6.35 17.32 71.73 0.07 1.00 0.00 3.29 0.24 48 C C C 12.90 23.21 9.28 31.41 117.06 111.40 -84.44 136.90 69.70 30.19 0.11 57.59 10.09 0.41 0.01 0.12 0.00 31.28 0.50 49 S E E 59.18 4.61 25.79 30.41 118.70 -156.78 -105.25 134.05 4.65 95.34 0.01 4.42 0.15 0.01 0.00 0.00 0.00 95.26 0.16 50 V E E 28.06 23.40 12.61 35.25 121.62 -158.83 -114.87 129.31 0.67 99.33 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.34 0.01 51 I E E 79.36 5.79 24.47 30.57 118.90 -169.05 -117.75 124.92 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 52 A E E 33.78 20.66 13.09 32.49 123.02 -165.52 -116.79 134.18 0.99 99.01 0.00 0.89 0.02 0.00 0.00 0.00 0.00 99.07 0.01 53 D E E 76.96 5.00 23.93 29.20 117.43 -171.99 -122.21 119.92 2.39 97.61 0.00 2.07 0.11 0.00 0.00 0.00 0.00 97.78 0.03 54 V E E 44.46 19.34 12.83 31.43 116.96 -159.80 -103.40 126.72 5.59 94.40 0.01 5.45 0.14 0.01 0.00 0.00 0.00 94.17 0.23 55 R E E 113.21 6.01 19.76 26.61 118.69 -170.03 -111.35 134.14 24.61 75.31 0.08 23.36 0.96 0.12 0.03 0.05 0.00 74.12 1.36 56 H C C 96.31 12.17 11.94 24.37 113.74 -146.70 -97.14 119.14 70.28 29.23 0.49 59.00 8.11 1.85 0.09 0.48 0.00 29.09 1.38 57 D C C 93.00 4.41 14.97 20.61 100.46 167.49 -94.88 5.84 93.55 5.45 1.00 43.62 30.69 19.64 0.11 1.09 0.00 3.91 0.93 58 G C S 55.16 3.13 14.97 19.39 96.56 -106.80 79.02 6.56 97.61 1.74 0.64 27.14 48.23 22.22 0.05 0.80 0.00 1.12 0.45 59 S C C 51.89 6.45 15.94 23.78 126.38 112.61 -100.95 157.41 95.94 3.83 0.23 51.42 42.96 1.99 0.04 0.22 0.00 1.74 1.64 60 E C C 97.41 8.50 20.13 29.02 116.38 -99.58 -77.52 143.49 97.57 2.38 0.05 58.73 38.56 0.66 0.00 0.05 0.00 1.66 0.33 61 P C C 14.48 22.36 15.42 37.59 114.53 -101.57 -68.42 143.58 92.98 7.00 0.03 75.61 16.65 0.60 0.00 0.04 0.00 6.86 0.24 62 C E E 33.60 11.04 25.32 37.06 131.38 -173.53 -131.97 148.21 3.12 96.88 0.00 2.89 0.13 0.00 0.00 0.00 0.00 96.80 0.19 63 V E E 3.81 25.59 17.65 44.13 122.16 -154.90 -116.44 131.25 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 64 D E E 39.54 9.43 26.70 37.14 117.78 -159.54 -110.20 126.63 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 65 V E E 4.72 24.71 16.75 42.13 124.37 -171.21 -121.52 134.67 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 66 L E E 50.77 7.70 24.70 33.38 115.28 -154.88 -106.99 123.46 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 67 F E E 16.33 20.08 13.27 33.57 121.93 -154.27 -88.91 161.58 26.33 73.63 0.04 26.10 0.42 0.05 0.01 0.02 0.00 72.93 0.47 68 G C T 38.68 9.26 15.39 25.48 92.52 -99.36 -62.02 -26.48 97.55 0.58 1.87 0.55 3.58 93.49 0.04 1.87 0.00 0.40 0.07 69 D C T 100.45 2.83 15.40 18.90 93.18 56.10 -87.60 2.04 97.87 0.10 2.03 0.26 2.98 94.57 0.04 2.08 0.00 0.05 0.03 70 G C S 48.44 3.55 14.66 19.41 97.23 -100.46 88.77 5.03 97.92 0.47 1.61 9.76 83.71 4.70 0.15 1.28 0.00 0.22 0.20 71 H C C 90.19 6.41 14.70 22.98 117.17 136.96 -76.73 142.61 96.78 3.18 0.03 96.10 0.92 0.13 0.01 0.01 0.00 2.58 0.26 72 R E E 122.28 10.00 15.77 27.15 123.93 -156.71 -119.51 135.49 1.54 98.45 0.00 1.50 0.04 0.00 0.00 0.00 0.00 98.34 0.11 73 L E E 31.26 16.43 17.36 34.28 123.40 -168.73 -120.05 133.57 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 74 I E E 72.95 10.57 22.57 33.41 117.34 -152.93 -105.18 125.06 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 75 M E E 16.57 21.40 16.42 37.81 123.22 -170.98 -118.14 134.53 1.12 98.88 0.00 1.04 0.03 0.00 0.00 0.00 0.00 98.89 0.04 76 R E E 117.07 7.15 24.37 31.84 116.24 -150.39 -96.69 129.65 22.48 77.42 0.10 19.36 2.31 0.32 0.02 0.07 0.00 77.51 0.41 77 G C C 10.09 20.47 15.31 34.94 106.74 152.66 -101.26 -13.36 81.27 8.64 10.09 54.20 15.18 11.13 0.63 11.05 0.00 6.66 1.14 78 A C T 55.00 9.94 18.97 29.17 94.92 90.08 -67.18 -23.37 93.30 1.59 5.10 3.06 14.51 74.91 0.15 5.93 0.00 1.06 0.39 79 H C T 134.38 3.40 20.74 24.42 98.20 37.55 -98.66 10.52 93.48 1.38 5.15 7.42 12.26 72.34 0.18 6.55 0.00 0.92 0.33 80 L C C 23.78 19.64 11.53 30.97 118.55 121.90 -86.30 140.95 95.87 3.87 0.25 78.12 17.87 0.27 0.11 0.12 0.00 1.66 1.84 81 T C C 57.63 4.56 24.34 28.48 124.44 -137.37 -88.02 164.52 85.00 14.80 0.20 84.62 0.96 0.06 0.14 0.03 0.00 2.55 11.65 82 A H H 27.78 19.26 15.11 33.90 91.57 -104.92 -58.57 -38.71 1.11 0.00 98.89 0.18 0.17 0.61 98.90 0.14 0.00 0.00 0.00 83 L H H 95.24 4.96 21.35 26.76 91.69 53.10 -63.71 -40.91 0.37 0.00 99.62 0.05 0.03 0.22 99.60 0.11 0.00 0.00 0.00 84 E H H 85.42 6.21 22.15 28.73 91.86 48.77 -65.73 -40.30 0.12 0.00 99.88 0.02 0.01 0.06 99.83 0.08 0.00 0.00 0.00 85 M H H 5.39 24.33 16.81 41.34 91.33 49.85 -63.37 -43.91 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 86 L H H 34.87 16.66 20.59 36.82 91.40 50.22 -63.05 -42.19 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 87 T H H 77.96 2.76 25.02 26.89 91.59 49.93 -64.37 -41.70 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 88 A H H 22.56 11.99 21.21 34.06 91.67 49.55 -64.20 -42.46 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 89 F H H 9.04 23.47 18.41 41.77 91.58 49.13 -63.73 -42.83 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 90 A H H 38.49 10.06 20.97 31.65 91.37 51.45 -62.86 -41.48 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 91 S H H 57.60 2.82 23.46 25.27 91.48 51.02 -64.55 -41.65 0.99 0.00 99.01 0.06 0.04 0.77 99.03 0.10 0.00 0.00 0.00 92 H H H 46.30 12.93 19.44 32.79 92.43 48.90 -66.16 -41.22 2.45 0.00 97.55 0.21 0.13 1.89 97.55 0.21 0.00 0.00 0.00 93 I H H 23.71 16.81 16.41 33.50 92.40 49.53 -64.90 -42.21 4.51 0.06 95.44 1.30 0.59 2.52 95.04 0.50 0.00 0.02 0.02 94 R H H 135.21 3.16 20.32 23.66 91.86 50.81 -64.45 -40.72 7.44 0.24 92.33 3.14 1.10 3.47 90.87 1.21 0.01 0.13 0.07 95 A H H 55.99 3.59 17.81 21.91 92.57 50.93 -65.85 -39.24 11.78 0.23 87.99 4.10 1.56 6.35 85.97 1.80 0.02 0.13 0.08 96 R H H 89.56 9.75 14.79 25.47 93.80 49.68 -68.54 -36.72 15.71 0.35 83.93 5.71 2.79 8.04 80.95 2.16 0.03 0.17 0.14 97 D H H 77.24 6.29 14.78 22.20 94.81 53.22 -67.90 -33.17 27.73 0.67 71.60 12.89 5.76 9.89 68.80 2.07 0.03 0.29 0.29 98 A H H 68.09 2.91 13.33 17.18 95.32 55.99 -69.85 -30.83 42.32 0.95 56.73 23.66 6.67 12.64 53.49 2.68 0.01 0.41 0.44 99 A C H 71.41 3.41 11.66 16.36 98.16 60.96 -74.06 -24.00 51.44 1.12 47.44 23.45 9.20 20.14 41.91 4.18 0.04 0.49 0.58 100 G C T 50.00 3.54 11.32 16.30 105.54 40.68 -29.85 -23.46 66.21 1.06 32.73 26.09 12.53 28.43 26.44 5.41 0.03 0.45 0.62 101 S C T 86.61 2.14 10.93 14.27 101.97 53.41 -84.07 9.58 78.29 1.14 20.58 28.01 17.87 33.32 13.78 5.81 0.01 0.48 0.71 102 G C C 57.15 2.26 11.24 14.71 101.69 -56.53 81.40 4.55 90.07 1.32 8.61 34.54 25.90 30.38 3.82 4.08 0.00 0.61 0.67 103 D C C 103.26 3.07 11.00 15.89 114.70 123.37 -89.25 134.31 93.41 2.75 3.84 61.89 24.28 7.28 1.52 2.19 0.00 1.32 1.53 104 K C C 130.51 4.27 10.77 17.10 118.59 -152.25 -102.52 135.56 96.79 2.73 0.48 71.71 24.57 0.76 0.25 0.21 0.00 1.26 1.24 105 P C C 79.55 6.07 10.49 18.35 112.51 -108.35 -67.06 149.84 92.30 3.15 4.55 79.05 6.87 6.30 1.76 2.62 0.00 1.74 1.67 106 G C C 51.87 3.57 11.56 16.58 110.31 -97.12 -67.59 165.63 88.90 2.30 8.80 63.71 12.40 12.49 2.75 6.15 0.00 1.20 1.30 107 A C C 78.67 3.66 10.12 15.39 103.21 -84.57 -77.81 8.31 81.40 2.61 15.99 44.00 18.69 18.71 3.98 12.00 0.00 1.30 1.33 108 D C C 105.92 3.32 9.62 14.57 106.09 77.71 -87.52 70.96 81.25 2.77 15.98 42.84 19.27 19.31 3.89 11.94 0.01 1.36 1.39 109 T C C 93.20 4.12 8.39 14.27 106.15 146.89 -89.94 34.96 85.69 2.74 11.56 44.56 20.01 21.51 2.83 8.42 0.00 1.35 1.32 110 G C C 55.71 2.34 10.13 13.98 110.09 -100.85 66.13 126.52 94.10 1.62 4.28 75.13 4.99 14.49 1.01 2.66 0.00 0.96 0.75 111 R C C 171.92 2.44 10.92 14.91 108.68 -100.08 -89.90 104.96 99.81 0.16 0.03 99.61 0.20 0.08 0.01 0.00 0.00 0.08 0.03