# 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 R C C 132.64 7.18 15.09 23.44 118.50 -167.67 -102.39 134.41 99.76 0.23 0.01 99.72 0.08 0.03 0.00 0.00 0.00 0.15 0.01 1 D C C 92.94 5.91 14.83 22.00 109.95 -131.01 -85.71 112.66 89.66 8.93 1.41 87.10 1.21 1.86 0.44 0.63 0.00 7.56 1.20 2 I C C 65.22 12.76 12.99 26.05 105.82 -166.00 -92.15 19.82 71.20 26.47 2.33 50.59 16.13 4.51 0.69 1.70 0.00 23.77 2.62 3 L E E 53.91 13.87 13.08 27.42 115.50 63.91 -97.64 125.62 47.79 50.08 2.13 37.95 6.73 2.45 0.88 1.41 0.00 43.62 6.96 4 K C C 110.72 8.15 16.74 26.02 115.17 -163.42 -107.21 128.03 53.46 45.56 0.97 43.23 8.12 1.66 0.35 0.70 0.00 41.67 4.27 5 R C C 130.52 6.89 17.68 25.89 124.24 -152.27 -119.24 137.57 69.28 30.60 0.12 54.53 13.89 0.42 0.03 0.10 0.00 29.93 1.11 6 P C C 50.38 15.32 14.05 29.24 115.14 -110.43 -67.25 148.07 76.90 22.80 0.30 70.68 4.45 0.67 0.09 0.21 0.00 22.23 1.67 7 V C C 64.58 10.21 18.48 29.32 112.28 -129.83 -89.29 125.70 75.56 24.05 0.39 62.27 12.47 1.05 0.18 0.26 0.00 16.00 7.77 8 I C C 61.24 15.89 12.97 28.57 118.20 -152.94 -103.63 126.84 87.83 11.90 0.26 77.18 10.79 0.46 0.15 0.13 0.00 7.90 3.40 9 T C C 51.89 6.42 15.70 23.61 128.74 157.88 -112.52 173.34 96.60 2.72 0.68 84.32 12.12 0.40 0.66 0.12 0.00 1.27 1.13 10 E H H 148.41 1.54 16.02 17.72 91.20 -98.64 -59.04 -37.13 10.74 0.10 89.15 1.81 2.58 6.95 86.56 1.95 0.05 0.04 0.06 11 K H H 114.68 4.64 17.04 22.54 92.13 52.23 -65.39 -39.00 10.14 0.12 89.74 1.87 1.50 7.17 86.82 2.47 0.05 0.06 0.05 12 S H H 13.36 18.36 12.01 30.22 92.19 51.97 -65.66 -39.56 5.98 0.17 93.85 2.77 1.02 2.60 90.83 2.62 0.01 0.10 0.04 13 S H H 50.58 5.82 17.83 24.70 92.11 53.42 -63.99 -41.25 3.29 0.11 96.61 1.67 0.50 1.27 95.21 1.25 0.01 0.06 0.02 14 E H H 108.86 1.88 20.08 20.53 92.18 50.24 -65.29 -40.62 3.15 0.16 96.69 1.22 0.50 1.64 95.31 1.18 0.02 0.10 0.03 15 A H H 18.71 12.53 13.37 27.43 92.16 50.94 -65.57 -40.28 4.09 0.19 95.72 1.55 0.58 2.22 93.86 1.61 0.02 0.13 0.04 16 M H H 71.54 12.80 13.14 26.08 92.91 52.45 -65.42 -39.87 5.35 0.11 94.54 1.41 0.58 3.37 92.16 2.36 0.01 0.08 0.03 17 A H H 86.12 1.45 16.23 17.25 91.86 54.56 -66.94 -28.88 14.58 0.12 85.30 1.44 1.14 12.14 83.08 2.03 0.06 0.06 0.06 18 E C T 119.92 2.91 15.01 18.52 95.72 49.40 -89.48 1.82 85.29 0.05 14.66 0.85 2.79 81.38 13.64 1.27 0.00 0.01 0.05 19 D C T 100.16 6.09 15.97 23.48 94.75 -114.10 60.14 36.06 99.60 0.03 0.37 2.41 2.90 94.45 0.13 0.09 0.00 0.02 0.01 20 K C C 69.99 12.12 16.75 29.48 126.16 137.15 -110.75 147.76 78.59 21.35 0.06 71.88 5.69 0.26 0.02 0.04 0.00 21.27 0.84 21 Y E E 37.56 17.56 19.32 36.87 116.74 -128.31 -92.78 134.34 27.08 72.90 0.02 26.10 0.66 0.05 0.00 0.01 0.00 72.84 0.33 22 T E E 25.20 16.60 22.48 38.91 129.10 -166.79 -124.87 143.27 4.58 95.41 0.00 4.49 0.09 0.00 0.00 0.00 0.00 95.32 0.09 23 F E E 13.19 22.04 20.25 42.00 130.47 -173.10 -130.58 144.58 0.55 99.45 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.49 0.01 24 D E E 57.34 10.80 26.03 37.08 116.82 -140.96 -101.70 127.56 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.01 25 V E E 8.73 23.46 15.26 38.73 132.54 178.46 -133.03 150.56 3.34 96.66 0.00 3.41 0.05 0.00 0.00 0.00 0.00 96.35 0.20 26 D C C 54.57 7.73 22.28 30.76 110.93 -105.38 -71.59 134.00 54.08 45.89 0.03 53.89 0.51 0.04 0.00 0.03 0.00 45.09 0.44 27 T C T 59.87 14.59 14.97 29.71 91.70 -133.37 -65.09 -20.36 98.00 1.12 0.88 0.86 5.63 91.71 0.02 0.89 0.00 0.78 0.10 28 R C T 168.43 1.79 20.82 22.00 93.23 60.91 -87.39 -2.13 98.74 0.53 0.73 1.03 4.69 93.08 0.02 0.77 0.00 0.37 0.04 29 V C C 18.03 19.90 9.65 29.28 116.72 116.16 -71.74 141.04 98.56 1.23 0.21 62.24 36.27 0.28 0.07 0.12 0.00 0.48 0.55 30 N C C 79.57 3.26 23.33 25.47 124.34 -135.88 -91.28 165.47 97.33 2.51 0.16 96.87 0.59 0.04 0.10 0.02 0.00 0.45 1.93 31 K H H 93.69 14.74 14.03 28.36 91.40 -104.39 -58.39 -37.48 2.13 0.00 97.87 0.25 0.29 1.36 97.87 0.23 0.00 0.00 0.00 32 T H H 88.25 2.10 21.42 22.53 91.74 53.23 -64.21 -40.67 1.42 0.00 98.58 0.11 0.12 1.06 98.49 0.21 0.00 0.00 0.00 33 Q H H 68.89 8.36 20.37 29.43 91.87 49.51 -65.61 -40.72 0.43 0.00 99.57 0.07 0.03 0.25 99.51 0.14 0.00 0.00 0.00 34 V H H 2.13 26.30 15.15 42.10 91.23 49.55 -63.62 -43.55 0.07 0.00 99.93 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 35 K H H 77.16 13.85 21.62 34.57 91.31 51.25 -62.03 -42.30 0.05 0.00 99.94 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 36 M H H 100.72 2.47 25.98 27.08 91.65 49.30 -64.42 -42.01 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 37 A H H 10.04 15.27 20.69 36.95 91.48 50.14 -63.70 -43.08 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 38 V H H 2.19 26.22 16.82 43.58 91.79 48.71 -64.51 -42.91 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 E H H 79.87 10.07 19.59 29.94 91.92 50.91 -63.67 -41.41 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 40 E H H 124.55 2.35 21.86 23.65 92.71 48.81 -66.86 -39.68 0.23 0.00 99.77 0.01 0.01 0.21 99.73 0.04 0.00 0.00 0.00 41 I H H 41.35 15.62 17.15 32.45 97.54 39.96 -79.04 -39.19 1.10 0.00 98.90 0.02 0.03 1.06 98.81 0.07 0.00 0.00 0.00 42 F H H 26.08 19.32 14.43 33.70 102.50 26.89 -108.29 -0.57 11.63 0.04 88.33 0.70 1.51 8.88 88.65 0.20 0.02 0.01 0.03 43 N C T 123.18 2.02 21.37 23.18 95.01 -125.18 58.24 42.93 99.65 0.12 0.23 23.90 12.37 63.44 0.09 0.09 0.00 0.07 0.03 44 V C C 20.15 19.37 11.42 30.71 129.87 133.40 -124.17 150.40 94.76 5.20 0.05 73.85 20.73 0.33 0.01 0.03 0.00 4.65 0.39 45 K C C 128.93 2.88 23.98 26.46 112.86 -123.41 -89.44 126.17 85.58 14.40 0.02 84.65 0.97 0.06 0.00 0.01 0.00 14.07 0.24 46 V E E 24.18 22.78 10.62 32.49 112.79 -144.20 -87.78 123.80 19.41 80.56 0.04 20.32 0.26 0.02 0.01 0.02 0.00 78.48 0.89 47 A E E 61.26 4.37 20.77 25.57 97.50 -170.53 -83.87 -35.50 19.09 80.87 0.04 10.58 8.32 0.21 0.00 0.03 0.00 80.75 0.10 48 S E E 51.78 4.80 23.13 28.69 140.58 -1.30 -156.09 154.29 2.75 97.24 0.01 2.13 0.30 0.03 0.00 0.01 0.00 97.50 0.03 49 V E E 36.15 22.24 11.67 32.62 126.08 -163.73 -132.13 131.79 1.08 98.92 0.00 0.97 0.04 0.00 0.00 0.00 0.00 98.98 0.02 50 N E E 71.05 5.55 23.46 29.28 125.02 -172.87 -123.70 140.17 1.42 98.58 0.00 1.18 0.06 0.00 0.00 0.00 0.00 98.74 0.01 51 I E E 60.39 17.51 13.44 30.36 122.87 -159.27 -118.81 131.75 2.03 97.97 0.00 1.86 0.05 0.00 0.00 0.00 0.00 98.06 0.03 52 M E E 74.61 7.61 17.97 26.95 123.86 -171.08 -121.18 138.23 2.19 97.81 0.00 1.96 0.09 0.00 0.00 0.00 0.00 97.87 0.08 53 N E E 85.65 8.82 14.77 24.96 117.93 -147.25 -106.61 128.67 4.96 95.04 0.01 4.24 0.42 0.02 0.00 0.00 0.00 95.10 0.22 54 Y E E 85.98 10.04 12.71 24.32 123.40 -172.89 -119.44 140.33 23.33 76.64 0.03 21.35 1.23 0.08 0.00 0.02 0.00 75.81 1.51 55 K C C 145.85 2.27 16.47 19.50 114.51 -121.81 -84.88 133.62 63.92 36.03 0.05 58.52 2.74 0.21 0.01 0.04 0.00 38.11 0.38 56 P C C 56.53 13.35 8.59 21.81 116.35 -110.78 -69.37 149.39 65.91 33.99 0.11 59.09 4.23 0.50 0.01 0.09 0.00 35.52 0.55 57 K E E 129.70 2.87 14.66 18.71 120.65 -142.31 -108.01 142.43 22.55 77.33 0.12 20.71 1.51 0.22 0.04 0.07 0.00 76.07 1.39 58 K E E 132.16 5.12 10.03 17.35 116.90 -126.68 -91.97 134.47 12.90 87.02 0.08 11.91 0.73 0.13 0.02 0.04 0.00 86.63 0.52 59 K E E 110.87 4.44 10.39 16.97 123.57 -168.97 -120.63 141.74 7.35 92.57 0.08 6.34 0.74 0.17 0.02 0.04 0.00 92.40 0.29 60 R E E 167.83 2.21 8.67 12.95 115.92 -133.51 -95.92 128.99 10.77 89.14 0.09 9.11 1.08 0.22 0.02 0.05 0.00 88.96 0.55 61 M E E 120.84 2.64 7.64 12.25 115.47 -176.69 -124.26 109.69 31.35 68.31 0.34 25.18 4.64 1.45 0.09 0.27 0.00 67.45 0.93 62 G C T 65.87 0.34 10.33 9.26 110.07 -49.83 64.97 -130.72 97.56 1.71 0.73 12.36 25.86 59.27 0.06 0.77 0.00 1.47 0.21 63 R C T 207.40 0.34 9.26 8.49 96.44 -17.49 -88.78 -4.25 97.54 1.64 0.83 12.28 26.74 58.39 0.07 0.89 0.00 1.43 0.20 64 Y E E 142.75 2.96 8.21 13.24 122.15 82.11 -107.86 141.73 28.24 71.47 0.29 20.41 7.58 2.05 0.06 0.26 0.00 68.16 1.49 65 Q E E 122.29 3.47 9.54 15.45 122.56 -160.65 -115.66 142.88 16.44 83.48 0.08 13.71 1.74 0.39 0.02 0.06 0.00 83.62 0.47 66 G E E 32.03 4.43 13.81 19.91 138.28 115.86 164.00 -176.61 10.53 89.42 0.05 8.25 1.75 0.32 0.01 0.03 0.00 89.38 0.25 67 Y E E 130.51 6.73 12.09 20.60 122.39 -84.42 -111.36 142.22 9.19 90.77 0.04 8.30 0.57 0.07 0.02 0.02 0.00 88.03 2.99 68 T C C 56.88 9.10 11.99 22.53 123.13 -159.95 -110.55 148.57 56.63 43.25 0.12 51.63 3.15 0.34 0.02 0.09 0.00 43.82 0.94 69 N C C 103.27 4.92 15.27 21.39 105.55 -116.03 -81.60 86.29 75.78 24.08 0.14 55.67 16.91 1.46 0.02 0.16 0.00 25.27 0.51 70 K C C 94.58 9.85 14.10 24.68 114.99 127.24 -97.08 132.45 74.41 25.46 0.14 58.62 12.98 1.17 0.02 0.16 0.00 26.47 0.59 71 R E E 93.77 11.21 16.72 28.53 123.66 -164.68 -113.09 142.41 24.39 75.57 0.04 21.89 1.78 0.13 0.01 0.03 0.00 74.89 1.28 72 R E E 54.03 15.56 17.48 33.27 124.47 -159.66 -116.21 140.50 6.10 93.90 0.00 5.63 0.28 0.01 0.00 0.00 0.00 93.87 0.21 73 K E E 63.32 13.09 22.37 35.42 125.15 -154.56 -114.59 140.89 2.83 97.17 0.00 2.37 0.27 0.00 0.00 0.00 0.00 97.31 0.05 74 A E E 6.24 22.24 18.22 40.96 125.45 -163.17 -120.30 139.86 0.64 99.36 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.38 0.01 75 I E E 39.28 11.67 25.52 38.10 117.77 -152.69 -109.49 126.60 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 76 V E E 5.92 24.15 18.39 43.10 122.29 -168.88 -116.44 132.66 0.60 99.40 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.01 77 T E E 46.11 9.26 26.58 36.50 120.14 -160.28 -110.42 133.68 2.22 97.77 0.00 2.19 0.04 0.00 0.00 0.00 0.00 97.71 0.06 78 L E E 12.74 23.05 13.37 36.48 117.73 -138.81 -89.56 139.27 18.10 81.87 0.03 17.71 0.55 0.04 0.01 0.02 0.00 80.35 1.32 79 K C C 93.03 6.40 19.67 26.66 119.29 -128.22 -84.75 152.89 85.36 14.37 0.27 79.78 4.46 0.65 0.06 0.22 0.00 13.71 1.11 80 E C T 139.86 3.61 15.45 20.81 109.09 -90.82 -62.50 137.87 94.10 2.30 3.59 4.93 12.46 76.70 0.58 2.97 0.00 1.80 0.56 81 G C T 57.19 2.00 15.89 18.14 97.99 21.95 83.86 -3.52 95.33 1.06 3.61 9.24 11.31 74.63 0.59 3.16 0.00 0.77 0.30 82 S C C 35.82 14.84 9.33 23.68 110.24 126.52 -80.49 132.52 85.89 3.29 10.81 69.20 10.37 5.85 2.28 9.05 0.00 1.88 1.37 83 D C C 97.12 5.35 14.85 21.29 103.78 113.47 -89.67 6.88 80.57 4.50 14.93 55.66 14.08 10.76 2.73 12.53 0.00 2.79 1.45 84 D C C 89.20 6.54 13.34 21.30 106.07 99.15 -81.86 92.20 76.33 6.95 16.72 51.80 12.98 11.38 2.71 14.61 0.00 4.97 1.55 85 L C C 84.02 9.80 11.76 22.25 103.85 108.69 -89.02 11.51 84.40 6.27 9.33 76.66 2.42 6.55 2.62 5.42 0.00 4.27 2.06 86 F C C 89.86 12.46 13.08 25.44 110.37 66.92 -97.29 93.56 99.75 0.21 0.04 99.64 0.12 0.07 0.02 0.00 0.00 0.13 0.02