# 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 T C C 84.61 5.05 11.89 18.48 118.11 -158.77 -96.87 141.27 99.92 0.06 0.02 99.85 0.08 0.03 0.01 0.00 0.00 0.02 0.01 1 K C C 134.56 3.85 10.00 15.62 113.17 -130.12 -93.80 131.60 84.96 6.64 8.40 80.88 1.82 2.56 6.65 1.44 0.00 3.40 3.24 2 K C C 135.74 3.38 9.45 14.65 112.21 -131.16 -82.58 138.46 75.65 9.17 15.18 58.03 10.79 6.09 10.94 4.77 0.01 5.57 3.80 3 R C C 151.75 4.20 9.75 15.62 104.81 -124.99 -78.46 35.24 67.61 9.79 22.61 46.92 11.21 9.02 12.89 10.00 0.03 6.41 3.51 4 R C C 150.33 3.69 11.70 16.87 109.70 56.05 -87.12 117.03 63.54 10.32 26.14 35.01 14.60 14.50 13.45 11.96 0.13 6.81 3.52 5 N C C 81.76 7.65 10.33 19.29 109.28 58.25 -94.10 99.18 69.12 8.88 22.00 36.27 15.58 17.90 10.42 10.61 0.10 5.51 3.61 6 N C C 95.37 5.33 12.49 19.21 102.13 82.33 -93.34 21.32 80.06 5.10 14.85 35.22 20.72 25.18 6.89 6.93 0.03 2.55 2.48 7 G C T 43.69 6.00 12.52 19.66 101.50 -108.39 73.15 -0.71 78.91 2.72 18.36 21.04 25.76 33.36 6.14 10.86 0.03 1.36 1.44 8 R C C 145.63 3.92 13.92 18.96 104.03 97.95 -89.11 2.00 66.47 8.17 25.36 27.26 20.31 20.34 8.96 14.77 0.18 4.49 3.70 9 A C C 50.67 8.87 10.24 20.33 113.45 89.82 -86.55 134.79 63.72 11.74 24.54 35.89 14.24 14.14 8.74 15.35 0.09 7.82 3.72 10 K C C 132.73 4.07 12.10 17.75 113.38 -141.07 -95.01 128.50 63.17 16.04 20.79 35.10 14.87 13.65 8.06 12.45 0.14 10.26 5.47 11 K C T 148.30 2.69 10.98 15.16 112.39 -111.19 -89.17 126.98 71.97 12.38 15.66 21.28 20.31 31.41 4.89 10.04 0.20 7.72 4.17 12 G C T 54.48 2.58 11.53 15.03 108.97 9.24 84.27 -94.58 87.48 3.73 8.80 17.55 25.08 44.45 1.27 7.93 0.01 2.52 1.19 13 R C T 172.15 2.17 11.05 14.45 104.88 1.48 -90.52 43.37 85.51 5.06 9.42 23.52 26.89 35.11 1.25 8.26 0.01 2.75 2.21 14 G C S 45.76 4.80 12.22 18.40 106.39 -73.66 84.36 -2.49 85.81 8.97 5.21 27.37 32.87 25.61 0.58 4.98 0.01 6.21 2.37 15 H C C 104.44 6.66 12.93 21.03 115.33 109.45 -93.18 133.77 78.69 18.52 2.80 44.44 25.48 8.70 0.61 2.48 0.01 11.16 7.12 16 V C C 63.28 11.34 12.83 25.02 116.28 -150.95 -99.60 130.78 79.14 20.25 0.61 64.04 12.82 1.29 0.22 0.43 0.00 10.53 10.67 17 Q C C 97.09 6.33 18.56 25.73 119.70 -140.62 -97.44 140.90 91.12 8.85 0.03 84.28 6.95 0.13 0.01 0.02 0.00 7.65 0.97 18 P C C 55.08 12.38 17.10 29.84 115.92 -103.29 -67.74 148.51 86.81 13.15 0.04 83.60 3.22 0.13 0.00 0.03 0.00 12.19 0.82 19 I E E 27.96 17.17 16.59 34.31 121.96 -147.95 -111.47 136.46 17.03 82.96 0.01 16.22 0.90 0.02 0.00 0.01 0.00 79.95 2.88 20 R E E 110.49 7.87 22.03 30.44 117.86 -136.94 -100.90 131.48 4.43 95.56 0.01 4.39 0.13 0.00 0.01 0.00 0.00 76.32 19.14 21 C C C 11.72 19.85 12.14 32.77 109.15 -120.09 -73.24 125.28 72.78 27.19 0.02 74.52 0.42 0.03 0.00 0.01 0.00 23.28 1.74 22 T C T 72.10 7.28 18.64 27.14 93.65 -153.37 -72.78 -23.77 99.45 0.29 0.27 0.74 8.16 90.50 0.01 0.33 0.00 0.21 0.06 23 N C T 92.21 5.77 17.51 24.11 100.59 42.90 -87.77 -39.70 99.56 0.12 0.31 0.18 4.64 94.74 0.01 0.34 0.00 0.07 0.03 24 C C T 57.86 7.00 15.76 23.94 102.93 17.22 -111.39 -11.02 99.59 0.14 0.27 1.86 10.30 87.34 0.01 0.37 0.00 0.09 0.05 25 A C C 57.28 9.15 15.47 25.70 95.08 -128.82 71.77 13.05 99.07 0.81 0.12 83.27 10.33 5.48 0.02 0.11 0.00 0.45 0.34 26 R C C 106.21 6.12 20.11 27.30 122.42 133.11 -86.15 150.04 85.90 14.08 0.02 80.61 5.81 0.11 0.00 0.02 0.00 12.20 1.25 27 C E E 50.44 13.79 18.27 32.13 115.20 -113.09 -81.73 137.03 2.83 97.16 0.00 2.46 0.32 0.01 0.00 0.00 0.00 75.13 22.07 28 V E E 14.69 18.20 15.35 34.24 129.63 -174.01 -129.45 148.04 29.01 70.99 0.00 28.09 0.88 0.01 0.00 0.00 0.00 69.67 1.35 29 P C C 51.49 5.74 21.26 27.83 113.37 -100.28 -64.09 143.44 55.68 44.31 0.02 57.45 0.53 0.02 0.00 0.01 0.00 40.03 1.96 30 K H G 89.21 15.03 12.42 27.16 91.19 -120.19 -57.76 -35.45 24.27 0.35 75.38 0.85 2.22 19.75 1.12 75.77 0.00 0.24 0.04 31 D H G 119.14 1.36 19.36 19.93 90.25 61.53 -69.77 -16.97 25.03 0.41 74.56 0.46 1.91 21.85 1.48 73.98 0.00 0.26 0.06 32 K H G 102.63 7.47 17.30 25.77 96.65 53.18 -97.32 -0.25 22.58 0.88 76.55 1.86 3.29 16.66 2.88 74.60 0.00 0.62 0.09 33 A C C 14.63 21.28 11.25 31.70 115.31 98.49 -82.52 138.09 61.38 34.88 3.74 50.33 9.24 1.65 1.81 1.98 0.01 31.76 3.21 34 I E E 63.88 10.55 18.28 29.69 120.15 -149.90 -109.72 132.11 12.60 87.26 0.14 11.37 1.17 0.13 0.10 0.06 0.00 84.30 2.87 35 K E E 111.31 9.39 16.50 26.78 116.31 -151.14 -98.10 132.50 12.87 87.04 0.09 10.96 1.34 0.10 0.04 0.04 0.00 87.30 0.23 36 K E E 102.94 7.52 15.84 24.75 126.65 -170.46 -125.35 142.00 12.38 87.42 0.20 10.77 1.09 0.12 0.08 0.08 0.00 87.68 0.18 37 F E E 96.47 10.17 13.05 24.39 121.72 -154.87 -114.28 135.14 6.71 93.18 0.11 6.38 0.27 0.04 0.06 0.03 0.00 92.97 0.24 38 V E E 70.74 6.89 14.91 23.59 118.91 -157.71 -112.08 128.10 7.11 92.80 0.08 6.71 0.30 0.03 0.06 0.02 0.00 92.60 0.27 39 I E E 84.66 8.06 12.27 22.11 115.96 -151.00 -98.88 126.92 18.07 81.75 0.18 16.82 0.84 0.10 0.11 0.06 0.00 81.59 0.48 40 R E E 123.49 6.04 12.36 20.06 117.99 -167.07 -105.69 140.02 47.65 51.52 0.83 38.31 7.89 0.83 0.53 0.32 0.00 51.19 0.93 41 N C C 86.33 4.33 12.49 18.21 116.34 -116.38 -88.81 143.68 72.36 25.81 1.83 62.54 8.29 0.83 1.67 0.45 0.00 24.11 2.09 42 I H H 111.41 3.88 11.58 17.08 94.16 -120.06 -62.20 -37.66 8.92 0.43 90.65 4.21 2.10 3.37 87.68 2.22 0.02 0.30 0.08 43 V H H 100.44 1.68 13.76 15.29 93.23 53.62 -65.86 -40.04 5.84 0.43 93.73 2.45 1.05 2.84 90.28 2.91 0.03 0.37 0.07 44 E H H 94.84 3.91 13.59 18.73 93.36 50.27 -67.51 -38.29 4.46 0.53 95.01 2.16 0.76 2.05 90.50 3.91 0.02 0.53 0.06 45 A H H 37.66 7.20 11.39 20.62 93.24 53.69 -65.33 -39.29 4.84 0.39 94.77 2.10 0.73 2.30 91.15 3.29 0.02 0.36 0.05 46 A H H 60.52 2.83 14.69 18.15 92.89 53.62 -65.72 -37.63 11.92 0.73 87.35 3.07 1.32 7.61 83.03 4.12 0.07 0.65 0.13 47 A H H 63.95 2.80 13.73 17.28 93.63 55.37 -69.05 -32.19 21.56 1.54 76.89 5.04 2.14 13.95 72.63 4.47 0.09 1.44 0.24 48 V H H 74.74 6.51 11.34 19.25 99.01 55.62 -80.28 -22.02 27.62 5.46 66.91 12.33 4.32 11.51 61.02 5.25 0.11 4.58 0.86 49 R H H 151.77 3.21 13.09 17.67 96.68 84.56 -70.58 -32.90 40.02 5.24 54.74 16.30 6.89 16.43 49.42 5.67 0.12 4.20 0.97 50 D C H 92.80 2.70 13.07 16.48 100.56 50.72 -91.36 7.56 51.83 3.35 44.82 26.28 5.47 19.32 40.29 5.35 0.03 2.46 0.81 51 I H H 84.11 7.18 9.65 18.30 96.90 105.67 -68.60 -32.56 28.65 1.77 69.57 15.87 5.19 8.97 57.04 11.20 0.06 1.16 0.51 52 S H H 77.50 2.79 12.36 16.34 94.40 61.97 -69.12 -31.04 27.09 1.40 71.51 9.84 4.26 12.87 56.45 15.07 0.13 0.96 0.41 53 E H H 141.46 1.46 13.14 14.62 95.76 52.09 -78.60 -18.41 29.44 1.13 69.43 7.48 5.27 16.65 53.96 15.32 0.21 0.69 0.43 54 A H H 55.13 6.24 10.03 17.91 103.56 67.59 -85.91 7.13 48.44 2.09 49.47 15.56 14.50 20.10 39.75 7.87 0.22 1.00 1.00 55 S C C 62.16 4.74 11.93 18.11 108.00 -133.90 -80.95 113.37 66.66 7.42 25.91 35.66 12.55 18.98 18.83 6.93 0.11 4.07 2.87 56 V C C 85.69 5.69 11.32 18.52 98.22 122.83 -76.98 -24.62 59.96 10.52 29.51 24.32 15.49 21.45 19.31 9.20 0.50 6.35 3.37 57 F C C 122.42 4.76 11.23 17.42 98.30 58.91 -77.27 -24.67 58.30 12.92 28.78 23.05 15.48 21.24 17.85 9.66 0.77 7.43 4.52 58 D C C 99.60 3.15 12.07 16.43 99.53 57.53 -83.37 -6.30 63.20 6.55 30.25 28.68 14.93 20.60 16.74 12.69 0.21 3.58 2.57 59 A C T 67.96 4.52 11.13 17.01 100.46 62.35 -84.13 -13.50 68.92 2.75 28.33 12.62 17.21 39.26 13.98 13.80 0.17 1.52 1.43 60 Y C T 147.00 4.42 11.55 17.36 105.83 44.36 -95.40 25.44 67.92 8.88 23.20 19.85 17.97 31.58 10.45 11.48 0.35 5.35 2.97 61 V C C 91.55 4.98 11.74 18.30 110.61 119.29 -96.08 99.32 64.90 22.15 12.95 38.04 17.51 9.87 7.40 5.68 0.38 11.93 9.19 62 L C C 77.93 8.78 10.01 20.13 115.91 -140.59 -95.64 128.34 80.76 15.08 4.16 58.96 18.86 2.87 2.50 1.99 0.01 10.60 4.20 63 P C C 80.28 5.34 12.97 19.91 108.60 -120.30 -67.17 144.82 75.35 9.93 14.72 47.80 12.63 15.03 2.72 12.13 0.01 8.09 1.58 64 K C S 135.69 4.11 14.50 19.81 103.03 -114.02 -78.68 -4.16 70.89 12.24 16.87 18.91 28.78 25.37 2.25 13.20 0.04 9.96 1.49 65 L C E 71.57 9.97 13.48 24.34 110.70 79.00 -98.46 100.70 52.25 30.18 17.57 25.84 13.54 15.46 2.60 13.28 0.02 28.03 1.23 66 Y E E 84.97 11.86 15.17 27.76 124.43 145.42 -113.56 140.44 26.04 71.40 2.56 21.43 4.15 1.26 0.88 1.31 0.00 69.89 1.08 67 V E E 42.90 13.80 16.72 31.26 123.04 -163.63 -118.19 135.24 8.03 91.73 0.24 7.16 0.67 0.10 0.14 0.07 0.00 91.50 0.35 68 K E E 88.34 11.10 20.52 31.82 118.35 -145.60 -102.45 129.80 4.30 95.56 0.13 3.94 0.23 0.03 0.09 0.03 0.00 95.53 0.16 69 L E E 29.93 18.14 18.23 36.23 120.09 -158.27 -108.02 131.86 7.49 92.32 0.18 6.83 0.38 0.07 0.11 0.06 0.00 92.40 0.16 70 H E E 52.60 13.89 22.25 36.19 122.43 -162.96 -114.05 134.83 10.79 88.85 0.36 9.45 1.07 0.24 0.20 0.16 0.00 88.43 0.46 71 Y E E 36.88 18.78 20.09 38.42 124.84 -164.58 -116.10 138.35 25.22 73.92 0.86 21.98 2.19 0.41 0.60 0.32 0.00 73.39 1.11 72 C C C 23.41 14.74 21.78 36.92 110.38 -131.86 -90.87 119.70 58.09 40.75 1.15 55.91 1.58 0.35 0.82 0.32 0.00 39.14 1.87 73 V H H 34.90 17.29 19.06 36.28 94.70 -155.62 -68.17 -32.94 26.61 4.39 69.00 14.81 4.74 7.81 51.57 16.47 0.11 3.87 0.61 74 S H H 46.52 7.63 21.59 30.06 91.60 64.12 -64.08 -37.57 17.40 2.33 80.27 5.75 3.24 8.45 58.52 21.47 0.13 2.08 0.37 75 C H H 34.49 10.02 18.88 30.23 92.18 52.63 -67.95 -35.22 11.07 1.92 87.00 4.05 2.03 5.04 62.83 23.90 0.06 1.86 0.24 76 A H H 13.65 16.88 14.39 31.87 92.48 56.66 -65.56 -38.66 12.69 4.14 83.17 6.07 2.40 4.95 65.95 16.15 0.11 3.84 0.54 77 I H H 78.43 8.40 16.29 25.49 92.63 52.05 -66.87 -38.65 19.73 8.72 71.55 8.17 3.80 9.18 59.64 10.02 0.53 7.26 1.41 78 H H H 128.94 2.94 16.37 19.86 94.74 49.07 -75.64 -29.27 31.86 6.50 61.64 9.82 5.71 17.36 53.54 6.43 0.80 4.44 1.90 79 S C T 51.94 7.06 12.57 21.17 97.64 51.85 -89.36 -2.03 70.95 1.24 27.82 12.62 13.40 42.92 26.20 3.61 0.06 0.61 0.60 80 K C T 149.96 3.24 14.70 19.48 95.33 -126.62 60.50 27.28 77.33 2.05 20.62 14.67 14.85 46.39 18.31 3.69 0.07 1.19 0.83 81 V C C 67.48 8.24 14.46 23.92 100.32 123.92 -88.83 -16.98 66.46 10.96 22.58 23.82 22.77 20.70 18.20 4.23 0.49 6.19 3.60 82 V C C 54.23 13.70 11.84 25.49 117.72 54.40 -107.35 127.85 65.55 12.95 21.50 32.15 21.57 12.66 16.94 4.54 0.27 8.01 3.85 83 R C C 135.77 5.48 16.03 22.73 116.33 -136.17 -94.79 129.74 73.71 10.13 16.16 48.60 15.80 8.89 13.15 3.85 0.03 6.98 2.70 84 N C C 96.27 7.39 13.92 22.45 110.36 -123.73 -86.40 117.58 82.40 5.73 11.87 62.51 12.46 6.60 9.89 2.92 0.01 3.78 1.84 85 R C C 99.56 9.77 11.03 21.82 119.12 119.38 -95.15 143.96 87.85 3.16 8.99 72.57 11.24 3.25 8.51 1.43 0.00 1.62 1.38 86 S C C 53.38 4.07 13.76 19.24 114.60 -106.27 -72.83 150.21 89.12 1.37 9.51 83.66 3.38 1.73 9.29 0.77 0.00 0.54 0.64 87 R H H 150.81 3.73 11.80 17.26 93.10 -122.17 -61.06 -36.92 7.36 0.10 92.54 3.27 1.59 2.84 90.46 1.78 0.01 0.04 0.03 88 E H H 121.80 1.35 14.36 15.16 91.99 53.32 -64.69 -40.50 4.57 0.14 95.29 1.55 0.77 2.46 92.53 2.55 0.01 0.09 0.03 89 A H H 38.79 5.27 11.69 19.24 91.82 50.68 -64.34 -39.70 3.58 0.17 96.25 1.37 0.53 1.84 92.64 3.44 0.01 0.14 0.02 90 R H H 96.78 8.02 10.82 20.30 92.12 52.46 -64.70 -38.59 4.84 0.14 95.02 1.58 0.69 2.68 91.54 3.37 0.01 0.10 0.03 91 K H H 139.10 1.90 13.36 15.90 91.89 53.08 -67.72 -31.49 15.73 0.18 84.09 2.50 1.70 11.23 81.62 2.75 0.05 0.09 0.08 92 D H H 108.95 1.53 13.34 14.93 95.41 50.81 -85.07 -5.84 42.48 0.29 57.23 6.76 5.56 29.56 55.80 2.00 0.04 0.10 0.18 93 R C C 122.82 7.31 9.03 17.58 106.26 97.56 -81.30 100.15 80.11 2.05 17.83 41.25 17.80 20.67 15.80 2.32 0.01 0.70 1.44 94 T C C 90.03 3.51 9.89 15.34 117.05 -163.74 -99.59 130.56 97.21 2.48 0.31 66.13 30.54 0.62 0.21 0.08 0.00 0.85 1.57 95 P C C 94.50 3.22 9.68 14.80 114.91 -104.50 -67.14 147.94 99.85 0.13 0.02 99.10 0.67 0.13 0.01 0.00 0.00 0.05 0.04 96 P C C 104.67 2.78 11.54 15.99 110.23 -93.93 -66.80 146.38 99.97 0.02 0.01 99.77 0.14 0.08 0.00 0.00 0.00 0.01 0.00