# 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 V C C 82.80 7.61 11.90 20.98 119.82 -164.54 -103.10 132.58 99.81 0.18 0.01 99.78 0.08 0.02 0.00 0.00 0.00 0.10 0.01 1 Q C C 121.20 4.01 11.10 17.17 117.88 -154.09 -102.65 132.18 87.55 11.39 1.06 86.53 0.70 1.12 0.38 0.37 0.00 9.26 1.64 2 R C C 143.52 4.83 10.91 17.75 122.51 -166.56 -117.71 139.84 74.36 23.44 2.20 63.34 7.69 2.67 0.80 1.45 0.00 20.50 3.56 3 L C C 85.28 9.10 10.09 20.47 116.29 -130.20 -91.61 132.27 70.35 27.72 1.93 62.57 5.18 1.65 0.72 1.18 0.00 24.75 3.96 4 T C C 73.70 6.42 13.94 21.94 120.19 -165.05 -111.49 136.14 71.66 26.53 1.81 58.48 10.05 2.46 0.69 1.20 0.00 23.78 3.33 5 Y C C 118.78 8.72 11.96 21.94 117.51 -140.19 -101.31 129.30 75.05 23.43 1.52 59.73 12.15 2.51 0.62 1.05 0.00 19.99 3.96 6 R C C 130.09 6.61 12.67 20.98 118.50 -165.96 -109.58 132.93 83.33 15.69 0.98 72.92 8.15 1.61 0.38 0.61 0.00 13.43 2.91 7 R C C 139.61 5.88 12.17 19.69 116.21 -141.91 -96.02 133.57 87.66 11.18 1.16 76.10 9.28 1.94 0.44 0.72 0.00 8.41 3.10 8 R C C 133.46 6.16 11.74 19.50 115.63 -134.56 -90.66 136.26 90.97 7.08 1.95 79.39 9.13 2.30 0.71 1.18 0.00 4.35 2.94 9 L C C 97.36 7.00 11.18 19.46 105.95 -116.99 -75.01 93.63 82.63 3.57 13.80 62.01 10.39 8.76 1.82 13.49 0.00 2.11 1.41 10 S C C 79.57 3.35 13.36 17.94 97.58 74.50 -75.98 -14.48 79.07 3.03 17.90 29.07 22.73 27.37 1.85 16.24 0.00 1.64 1.10 11 Y C C 118.20 7.82 12.15 21.13 102.34 58.76 -95.91 13.18 75.15 6.72 18.13 32.86 19.20 23.99 2.27 15.54 0.02 3.59 2.54 12 N C C 70.49 10.67 10.87 22.39 111.82 104.88 -91.80 118.76 88.19 6.97 4.84 69.64 13.69 4.32 1.63 3.25 0.00 3.72 3.75 13 T C C 55.21 7.34 12.46 21.51 127.17 157.10 -115.40 161.27 86.61 9.55 3.84 63.48 17.46 4.50 1.65 2.20 0.00 3.63 7.07 14 A C T 90.00 2.28 13.75 17.15 93.58 -103.88 -66.29 -25.66 80.39 1.89 17.72 11.97 25.38 43.50 1.91 15.27 0.01 1.01 0.96 15 S C T 68.00 4.56 13.68 19.39 97.16 59.46 -83.36 -7.71 81.41 2.18 16.41 12.32 22.73 46.48 1.62 14.69 0.01 1.26 0.89 16 N C C 67.27 12.54 11.92 24.51 109.81 69.14 -91.60 105.33 75.79 9.66 14.56 38.63 22.30 15.90 1.78 12.75 0.01 6.52 2.11 17 K C C 98.58 6.77 17.29 25.09 115.33 -156.89 -95.43 133.40 72.90 26.10 1.00 60.83 8.36 2.26 0.22 0.80 0.00 26.19 1.33 18 T E E 58.59 13.50 14.21 27.82 123.42 -149.18 -111.74 139.08 17.50 82.43 0.07 16.31 0.91 0.11 0.02 0.04 0.00 82.19 0.41 19 R E E 91.11 8.70 17.71 27.68 129.67 -175.89 -131.33 147.99 2.10 97.88 0.01 2.01 0.11 0.01 0.00 0.01 0.00 97.77 0.08 20 L E E 83.70 9.03 16.54 26.59 116.08 -125.13 -91.50 132.10 1.04 98.95 0.00 1.02 0.02 0.00 0.00 0.00 0.00 98.92 0.03 21 S E E 25.47 12.30 13.99 27.74 131.02 -176.66 -130.74 154.10 1.58 98.41 0.00 1.45 0.06 0.01 0.00 0.00 0.00 98.44 0.04 22 R E E 143.64 4.26 15.83 21.54 115.90 -123.66 -97.91 129.46 6.18 93.80 0.01 5.63 0.39 0.03 0.00 0.01 0.00 93.40 0.54 23 T C C 31.89 12.84 8.84 22.32 123.16 -148.50 -90.78 161.42 91.45 8.44 0.12 90.14 1.17 0.22 0.02 0.07 0.00 7.91 0.48 24 P C T 99.25 3.42 12.34 17.19 107.53 -88.48 -62.47 136.54 89.88 1.10 9.02 1.63 6.07 80.42 0.19 10.69 0.00 0.79 0.22 25 G C T 57.91 1.70 12.27 14.20 96.88 19.78 77.07 -1.10 90.31 0.19 9.49 0.83 4.65 82.92 0.18 11.24 0.00 0.11 0.08 26 N C S 121.86 2.50 12.05 15.97 96.43 -94.19 73.63 15.75 90.98 1.06 7.96 15.69 57.11 17.30 0.43 8.46 0.00 0.59 0.42 27 R C C 116.97 4.77 12.17 18.97 118.58 136.84 -90.14 141.79 79.10 20.76 0.14 74.80 3.30 0.39 0.03 0.10 0.00 20.06 1.32 28 I E E 76.86 8.65 13.68 24.07 115.45 -129.64 -92.98 128.11 2.45 97.54 0.00 2.27 0.09 0.00 0.00 0.00 0.00 97.50 0.13 29 V E E 36.38 11.90 15.18 28.85 123.17 -169.77 -119.50 136.30 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.00 30 Y E E 65.57 12.17 16.93 30.46 118.02 -146.97 -105.79 129.03 0.18 99.82 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 31 L E E 44.62 11.89 18.17 31.46 118.85 -160.97 -109.10 128.46 0.76 99.24 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.24 0.03 32 Y E E 58.41 13.74 16.44 31.10 120.68 -165.21 -113.12 132.83 12.27 87.70 0.02 11.38 0.56 0.05 0.01 0.01 0.00 87.59 0.40 33 T C E 50.83 10.19 17.82 29.08 117.77 -162.75 -108.03 128.68 51.59 48.01 0.40 46.50 3.62 0.55 0.13 0.27 0.00 47.50 1.43 34 K C C 96.46 10.61 14.08 25.39 110.44 -144.50 -90.79 134.18 80.66 18.44 0.90 65.45 12.99 1.99 0.28 0.71 0.00 15.75 2.84 35 K C C 117.82 4.61 15.79 21.57 119.52 -113.68 -99.64 140.57 89.43 9.45 1.13 71.70 14.83 2.65 0.36 0.86 0.00 5.31 4.28 36 V C T 99.53 6.24 12.36 20.33 111.07 -104.37 -65.84 134.98 93.16 4.69 2.14 14.40 15.50 63.33 0.35 1.86 0.00 2.91 1.66 37 G C T 50.42 3.96 14.94 20.16 99.84 18.99 85.68 -1.52 96.68 2.12 1.20 12.03 17.96 66.66 0.13 1.20 0.00 1.54 0.46 38 K C C 125.34 4.10 16.75 22.26 120.10 110.70 -102.62 138.10 91.69 7.61 0.69 62.93 26.13 2.41 0.17 0.60 0.00 2.99 4.76 39 A C C 38.10 15.33 12.46 27.66 121.31 -115.28 -86.69 147.79 93.72 6.09 0.19 75.80 17.40 0.74 0.05 0.15 0.00 3.44 2.42 40 P C C 43.16 13.29 15.03 29.13 115.40 -101.43 -65.24 149.47 94.43 5.29 0.28 85.04 8.32 1.23 0.06 0.24 0.00 3.43 1.67 41 K C C 138.79 4.72 18.97 25.20 113.82 -128.25 -85.43 134.62 75.73 23.53 0.74 62.71 10.14 1.31 0.33 0.49 0.00 11.99 13.03 42 S C C 38.87 14.03 15.16 29.25 128.19 51.74 -117.91 145.20 74.53 24.59 0.87 64.01 7.72 1.85 0.26 0.73 0.00 18.58 6.85 43 A C C 55.03 8.70 20.13 29.28 121.65 -156.74 -110.48 144.34 67.42 31.36 1.22 43.44 19.65 4.26 0.35 1.09 0.00 20.14 11.07 44 C C C 27.26 18.21 12.71 30.40 112.43 -117.53 -90.15 127.35 71.64 26.74 1.62 40.21 21.01 10.77 0.48 1.45 0.01 15.39 10.67 45 G C T 47.10 5.10 18.90 24.34 97.42 -139.53 -43.70 -30.74 97.25 1.97 0.77 4.17 44.43 48.84 0.04 0.78 0.00 1.37 0.38 46 V C S 81.46 7.77 17.21 25.58 100.25 29.42 -95.01 -23.19 96.87 2.34 0.79 2.88 48.79 45.57 0.06 0.64 0.00 1.50 0.56 47 C C S 31.23 15.05 10.76 25.99 118.12 42.17 -123.89 112.96 83.77 15.61 0.62 20.24 59.59 4.28 0.11 0.51 0.00 7.60 7.66 48 P C T 101.15 3.02 17.07 20.93 103.69 -134.93 -66.99 54.24 89.65 8.47 1.87 15.62 30.69 43.43 0.16 2.03 0.00 6.76 1.31 49 G C T 40.45 5.52 17.91 24.11 123.46 37.35 86.84 -174.29 86.55 11.03 2.42 16.14 33.19 37.63 0.30 2.24 0.00 9.01 1.49 50 R C C 121.70 8.36 19.26 27.98 117.17 -50.82 -86.23 137.48 70.22 28.12 1.66 55.13 11.74 2.24 0.55 1.29 0.00 13.90 15.15 51 L C C 12.96 23.74 11.58 34.81 113.47 -127.23 -89.28 126.95 70.36 28.34 1.30 63.75 3.99 1.12 0.49 0.86 0.00 15.34 14.44 52 R C T 140.33 5.12 23.36 29.11 107.58 -146.01 -83.42 121.04 82.63 15.45 1.92 31.24 19.94 33.16 0.38 1.59 0.01 10.86 2.82 53 G C T 24.53 11.97 21.18 32.76 104.74 2.97 98.13 -0.21 83.20 15.15 1.65 25.43 25.57 33.74 0.27 1.46 0.00 11.69 1.84 54 V C C 17.17 23.40 13.78 36.58 119.42 105.41 -99.92 132.50 68.09 31.31 0.61 58.41 7.67 0.76 0.30 0.39 0.00 23.19 9.28 55 R C C 118.90 6.49 24.12 31.11 122.11 -158.29 -106.47 140.84 64.14 35.45 0.41 60.65 2.52 0.47 0.20 0.24 0.00 28.79 7.12 56 A C C 49.81 14.37 16.92 30.95 114.08 -111.09 -71.93 137.25 76.23 23.28 0.49 66.81 8.60 0.70 0.26 0.29 0.00 18.69 4.66 57 V C C 34.30 14.97 13.63 29.14 127.56 -170.31 -121.58 149.73 89.05 10.56 0.39 75.55 13.52 0.37 0.28 0.14 0.00 4.97 5.17 58 R C C 123.75 3.42 18.92 22.27 115.17 -103.21 -72.92 146.54 99.08 0.51 0.41 95.75 3.23 0.21 0.34 0.05 0.00 0.22 0.20 59 P H H 72.17 9.39 11.38 22.05 91.70 -112.79 -57.37 -38.44 10.41 0.11 89.48 2.23 1.53 6.52 79.33 10.25 0.03 0.06 0.04 60 K H H 144.33 1.19 15.74 16.13 91.61 54.79 -64.59 -36.23 6.77 0.10 93.13 0.99 0.76 4.67 81.38 12.07 0.03 0.07 0.03 61 V H H 61.84 5.79 14.22 21.64 93.19 48.79 -68.60 -38.67 4.09 0.12 95.79 0.91 0.52 2.51 84.37 11.56 0.01 0.10 0.02 62 L H H 36.20 16.74 10.08 26.26 91.97 54.08 -65.05 -37.46 4.43 0.09 95.48 0.89 0.49 2.76 83.25 12.51 0.01 0.07 0.02 63 M H H 120.75 3.93 14.86 20.08 91.18 58.65 -68.56 -22.63 38.39 0.14 61.47 1.08 1.39 36.26 49.72 11.29 0.09 0.07 0.10 64 R C T 178.06 1.02 16.18 15.91 94.82 55.05 -88.84 -6.51 60.09 0.14 39.76 1.60 2.51 56.74 29.65 9.25 0.04 0.07 0.13 65 L C S 40.09 15.38 6.94 21.74 118.89 104.61 -76.31 145.98 96.02 0.78 3.20 36.34 57.51 1.96 2.61 0.60 0.00 0.18 0.80 66 S C C 60.10 2.42 16.63 18.79 118.48 -115.35 -75.70 156.18 96.68 2.33 1.00 93.84 1.92 0.40 0.56 0.25 0.00 0.59 2.45 67 K H G 132.15 7.14 10.95 19.71 91.98 -111.06 -59.68 -34.09 35.12 0.36 64.52 1.93 4.04 28.06 2.94 62.61 0.01 0.20 0.21 68 T H G 106.27 1.80 14.62 16.84 92.24 60.59 -70.49 -20.88 37.17 0.21 62.61 1.26 3.27 31.44 2.70 61.08 0.01 0.12 0.13 69 Q H G 106.16 5.24 14.56 21.00 96.27 51.11 -89.62 -6.00 33.53 0.48 65.99 5.38 6.75 19.90 3.09 64.37 0.01 0.25 0.25 70 K C C 63.28 16.24 11.68 27.26 108.82 92.75 -81.63 114.71 92.06 1.58 6.36 67.95 21.27 2.78 3.46 2.48 0.00 0.50 1.55 71 H C C 99.96 6.55 19.91 27.20 123.14 149.04 -116.13 141.91 87.38 10.52 2.10 74.86 9.00 1.23 1.31 0.75 0.00 3.00 9.84 72 V C C 39.92 17.98 12.47 29.82 109.58 -133.01 -85.85 117.80 90.76 6.79 2.45 75.46 11.97 2.55 1.29 1.11 0.00 2.97 4.64 73 S C C 78.36 4.01 18.48 23.38 100.43 157.92 -99.52 -8.37 92.62 5.69 1.69 69.67 19.70 2.72 0.80 0.86 0.00 2.20 4.06 74 R C S 107.65 6.27 16.26 23.81 129.00 72.57 -112.68 159.21 80.81 8.54 10.65 23.54 46.19 10.12 4.20 5.18 0.20 2.56 8.01 75 A C T 60.67 10.10 15.15 25.79 94.31 -101.41 -63.39 -29.84 80.65 0.76 18.59 2.51 11.96 66.10 2.64 15.77 0.01 0.40 0.61 76 Y C T 120.66 9.03 15.37 25.05 97.88 38.36 -90.35 5.53 79.80 1.27 18.92 3.37 10.99 64.87 2.40 16.84 0.01 0.72 0.79 77 G C T 31.23 10.79 15.30 26.42 108.55 -112.22 61.47 9.20 75.46 7.21 17.33 23.81 23.21 28.74 4.11 12.43 0.09 2.84 4.78 78 G C T 32.64 8.92 16.47 25.98 123.06 32.36 88.95 -165.94 83.94 4.43 11.63 22.83 25.51 35.79 2.47 8.88 0.01 2.01 2.50 79 S C S 65.59 7.77 18.12 26.50 97.10 -48.28 -83.35 -13.69 82.79 5.42 11.79 15.43 38.30 30.12 3.23 7.54 0.03 2.95 2.39 80 M C S 64.22 13.04 16.52 29.69 120.07 76.28 -94.04 146.03 73.70 17.67 8.63 22.63 40.21 10.09 4.39 3.66 0.15 6.33 12.55 81 C C C 34.86 10.95 18.63 30.43 117.11 -101.62 -76.76 149.14 88.02 8.25 3.74 79.65 5.69 1.66 3.09 0.76 0.00 2.89 6.26 82 A H H 38.45 13.74 16.34 30.32 92.39 -116.59 -60.37 -36.04 3.89 0.02 96.09 0.86 0.68 2.25 95.46 0.74 0.00 0.01 0.01 83 K H H 124.61 3.15 22.87 26.13 91.93 53.36 -64.86 -40.24 1.95 0.01 98.04 0.26 0.21 1.42 97.33 0.78 0.00 0.00 0.00 84 C H H 31.34 9.43 19.69 30.38 92.24 48.89 -65.73 -42.02 1.26 0.01 98.73 0.28 0.13 0.80 97.90 0.87 0.00 0.01 0.00 85 V H H 11.10 19.59 16.77 36.80 91.93 50.13 -64.03 -43.54 0.51 0.01 99.48 0.20 0.06 0.23 99.37 0.14 0.00 0.00 0.00 86 R H H 93.00 10.30 20.92 31.18 91.53 51.02 -62.74 -42.26 0.38 0.00 99.62 0.10 0.03 0.21 99.60 0.06 0.00 0.00 0.00 87 D H H 73.48 3.49 22.90 25.99 91.80 49.69 -64.74 -41.41 0.30 0.00 99.70 0.10 0.03 0.15 99.69 0.04 0.00 0.00 0.00 88 R H H 80.43 10.57 20.44 31.23 92.11 49.38 -65.54 -41.48 0.21 0.00 99.79 0.05 0.01 0.12 99.79 0.03 0.00 0.00 0.00 89 I H H 31.82 16.95 18.05 35.06 92.05 49.21 -64.69 -42.37 0.16 0.00 99.84 0.04 0.01 0.08 99.85 0.02 0.00 0.00 0.00 90 K H H 98.51 7.49 20.97 28.60 91.57 50.32 -63.26 -42.17 0.15 0.00 99.85 0.04 0.01 0.08 99.85 0.02 0.00 0.00 0.00 91 R H H 123.68 3.28 22.04 25.03 91.91 49.06 -64.97 -41.54 0.18 0.00 99.82 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 92 A H H 24.92 10.41 18.33 30.18 91.76 50.11 -64.38 -41.78 0.22 0.00 99.78 0.01 0.01 0.15 99.78 0.04 0.00 0.00 0.00 93 F H H 58.40 12.58 18.28 31.09 92.14 48.92 -64.88 -41.59 0.60 0.00 99.40 0.06 0.03 0.42 99.42 0.07 0.00 0.00 0.00 94 L H H 79.01 5.48 19.75 25.55 91.88 49.76 -64.61 -41.20 1.11 0.00 98.89 0.11 0.06 0.81 98.92 0.09 0.00 0.00 0.00 95 I H H 79.97 3.80 19.93 23.81 91.94 49.24 -65.05 -42.22 1.08 0.00 98.92 0.15 0.08 0.71 98.97 0.08 0.00 0.00 0.00 96 E H H 68.19 8.49 18.19 27.32 91.93 49.51 -65.04 -41.29 0.54 0.00 99.46 0.08 0.04 0.32 99.50 0.06 0.00 0.00 0.00 97 E H H 66.69 9.79 17.13 27.47 91.74 50.54 -64.46 -40.56 0.42 0.00 99.58 0.05 0.02 0.26 99.61 0.05 0.00 0.00 0.00 98 Q H H 94.03 4.00 18.78 23.06 91.81 51.09 -64.93 -40.02 0.34 0.00 99.66 0.04 0.02 0.20 99.70 0.04 0.00 0.00 0.00 99 K H H 107.87 3.42 19.08 22.47 92.03 50.49 -65.43 -40.75 0.32 0.00 99.68 0.04 0.01 0.19 99.72 0.04 0.00 0.00 0.00 100 I H H 59.65 7.97 17.00 25.75 92.21 49.86 -65.15 -42.38 0.22 0.00 99.78 0.04 0.01 0.12 99.81 0.02 0.00 0.00 0.00 101 V H H 62.25 6.38 17.10 24.14 91.96 49.53 -63.98 -42.36 0.14 0.00 99.85 0.02 0.01 0.08 99.88 0.01 0.00 0.00 0.00 102 V H H 75.03 2.95 17.99 20.98 91.62 49.41 -63.94 -42.16 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 103 K H H 107.22 3.48 17.85 21.51 91.95 49.77 -64.89 -41.14 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 104 V H H 62.45 6.40 15.82 22.85 92.11 49.01 -64.68 -42.20 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 105 L H H 84.91 3.56 16.43 20.45 91.86 49.75 -64.35 -41.33 0.24 0.00 99.76 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 106 K H H 119.22 1.92 16.57 18.13 91.92 50.04 -64.86 -40.63 0.50 0.00 99.50 0.06 0.03 0.30 99.55 0.06 0.00 0.00 0.00 107 A H H 47.65 3.45 14.32 18.95 91.68 50.54 -64.19 -40.37 0.95 0.00 99.05 0.14 0.07 0.56 99.09 0.14 0.00 0.00 0.00 108 Q H H 96.56 2.84 14.12 17.42 91.95 50.21 -65.32 -39.51 1.95 0.01 98.04 0.34 0.16 1.19 98.04 0.28 0.00 0.00 0.00 109 A H H 59.73 2.15 12.19 15.17 92.17 51.10 -65.02 -38.90 4.43 0.02 95.55 0.84 0.40 2.78 95.29 0.67 0.00 0.01 0.01 110 Q H H 123.56 1.46 11.31 13.24 92.66 52.46 -68.39 -33.98 10.77 0.04 89.19 1.67 1.06 7.54 88.26 1.43 0.01 0.02 0.02 111 S H H 84.19 1.55 9.59 11.90 94.41 54.40 -73.35 -23.46 29.93 0.13 69.93 5.04 3.32 21.24 68.55 1.70 0.02 0.05 0.08 112 Q C H 139.09 1.30 8.63 10.84 99.27 60.71 -81.66 -8.58 61.09 0.28 38.63 30.68 2.45 26.47 38.55 1.57 0.00 0.10 0.18 113 K C C 154.62 1.87 10.10 13.38 105.81 92.15 -77.93 88.81 99.90 0.03 0.07 99.68 0.12 0.13 0.05 0.00 0.00 0.01 0.01