# 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 113.51 5.12 11.88 18.60 117.96 -162.63 -96.89 131.76 99.91 0.08 0.01 99.85 0.08 0.02 0.00 0.00 0.00 0.04 0.01 1 P C C 92.32 4.15 9.59 15.62 114.13 -117.07 -71.22 145.85 90.76 2.63 6.61 87.22 1.02 3.27 4.66 1.22 0.00 1.46 1.14 2 V C C 102.82 4.11 8.50 14.55 115.31 -145.36 -97.39 134.13 79.14 9.70 11.17 60.51 12.97 4.91 8.68 3.06 0.01 5.31 4.56 3 K C C 141.49 2.92 10.30 14.93 114.43 -133.47 -88.73 135.51 74.26 11.12 14.63 58.90 10.19 4.44 10.78 4.54 0.01 7.63 3.50 4 R C C 145.79 5.37 9.77 16.84 110.49 -127.77 -83.88 128.49 64.59 10.33 25.07 47.78 8.99 7.29 15.43 10.15 0.02 7.20 3.15 5 K C C 128.74 4.48 12.38 18.35 110.81 -144.02 -93.29 120.17 63.15 8.49 28.36 34.65 13.54 15.62 15.54 12.22 0.09 5.71 2.63 6 N C C 78.71 8.57 11.04 20.76 109.24 -136.99 -95.51 103.60 68.95 6.80 24.25 35.40 15.45 19.14 11.55 11.74 0.08 3.93 2.71 7 H C C 112.17 5.98 13.33 20.66 104.69 154.51 -100.10 22.45 77.74 5.27 16.99 37.84 21.24 19.50 9.54 6.66 0.05 2.54 2.63 8 G C T 36.43 7.21 12.80 21.14 106.89 -111.92 72.73 -106.77 74.49 3.18 22.32 25.02 23.79 26.91 10.42 10.59 0.07 1.51 1.69 9 R C C 140.44 4.80 14.39 20.22 98.62 32.02 -77.10 -16.66 60.00 7.12 32.88 25.83 17.16 18.61 15.16 15.97 0.27 3.70 3.29 10 A C C 49.54 8.11 10.95 20.53 102.83 69.06 -83.26 10.82 58.15 8.26 33.59 32.40 12.66 13.88 15.08 17.86 0.12 4.75 3.26 11 K C C 127.88 4.85 12.71 18.97 103.11 92.96 -81.59 -0.83 56.58 8.24 35.18 26.20 14.01 17.65 14.39 19.47 0.25 4.66 3.36 12 K C T 147.10 2.61 12.75 16.24 104.08 46.79 -86.26 23.07 66.37 5.51 28.13 16.70 17.59 32.59 9.90 17.26 0.27 3.16 2.54 13 N C T 96.32 5.38 10.86 17.77 106.74 31.24 -82.82 64.89 78.83 4.20 16.97 25.28 20.47 33.87 3.98 12.22 0.03 2.19 1.95 14 R C T 157.52 3.72 11.62 16.84 104.18 -121.10 -82.64 45.11 81.94 5.57 12.49 25.59 20.84 36.00 2.47 9.52 0.03 2.77 2.79 15 G C T 46.42 5.12 13.04 19.36 104.13 -51.20 78.96 -4.17 88.81 3.73 7.46 18.74 29.10 40.88 0.89 6.78 0.01 2.26 1.35 16 H C C 113.63 5.77 14.30 21.28 104.58 93.39 -91.80 29.14 82.79 12.53 4.69 37.33 29.54 16.50 0.85 4.06 0.01 6.66 5.05 17 V C C 53.86 13.06 11.85 25.44 119.48 121.77 -99.55 133.64 79.07 19.69 1.24 60.58 15.42 2.44 0.44 0.93 0.00 11.12 9.07 18 K C C 112.79 6.22 19.02 26.04 118.68 -144.78 -95.90 140.99 84.68 15.04 0.28 75.16 8.40 0.76 0.07 0.24 0.00 13.73 1.64 19 L C C 68.94 12.96 16.76 29.76 117.16 -109.61 -78.17 142.91 72.23 27.62 0.15 67.94 3.74 0.30 0.03 0.12 0.00 25.75 2.12 20 I E E 34.40 16.00 16.45 33.07 122.64 -156.92 -114.30 135.94 25.42 74.52 0.06 23.64 1.17 0.06 0.03 0.04 0.00 69.74 5.32 21 R E E 119.09 7.71 20.55 28.97 119.07 -142.66 -100.82 133.64 17.05 82.87 0.08 16.26 0.56 0.05 0.06 0.04 0.00 70.55 12.48 22 C C C 18.64 18.33 10.99 29.50 113.02 -128.85 -81.23 129.27 66.69 33.13 0.18 65.41 1.63 0.27 0.05 0.13 0.00 29.13 3.38 23 D C T 97.13 4.69 17.42 23.08 95.01 -149.27 -73.69 -21.58 97.52 1.49 0.99 4.82 36.58 56.15 0.06 1.00 0.00 1.10 0.29 24 N C T 106.93 3.99 16.72 21.34 99.21 42.51 -91.39 -14.02 98.27 0.71 1.02 1.90 35.88 60.62 0.05 0.94 0.00 0.44 0.17 25 C C S 49.82 10.69 13.01 24.31 111.97 25.74 -116.65 16.13 89.67 7.78 2.55 23.23 48.37 17.55 0.26 2.71 0.00 5.33 2.54 26 A C C 67.59 6.95 16.39 24.34 96.12 -136.23 24.91 3.65 84.05 11.12 4.83 39.06 33.13 11.34 0.31 5.55 0.00 8.73 1.88 27 S C S 52.02 8.11 19.31 28.03 117.29 115.78 -84.54 145.87 72.86 21.00 6.13 32.82 32.82 7.70 0.31 6.47 0.00 18.34 1.54 28 A E E 34.77 15.30 17.45 32.46 116.37 -116.20 -83.61 134.49 46.36 48.96 4.68 35.41 9.36 1.63 0.50 4.60 0.00 42.82 5.67 29 V E E 18.92 16.96 15.86 33.64 126.38 -168.14 -123.56 141.77 20.43 79.53 0.04 16.29 4.41 0.05 0.02 0.02 0.00 63.10 16.10 30 P E E 48.26 6.30 20.32 27.79 113.07 -103.64 -64.15 142.50 40.32 59.66 0.03 41.11 0.61 0.03 0.01 0.01 0.00 54.24 3.98 31 K H G 100.81 13.14 12.46 25.68 91.25 -120.23 -58.29 -35.42 46.74 0.55 52.72 1.05 3.25 42.10 1.37 51.73 0.00 0.38 0.12 32 D H G 122.10 1.10 18.21 18.28 90.87 60.88 -69.56 -16.59 45.95 0.50 53.55 0.59 2.64 42.97 1.99 51.39 0.00 0.31 0.12 33 K H G 110.44 6.42 16.55 24.00 96.71 50.54 -97.85 -2.24 39.96 1.32 58.72 3.21 5.29 32.05 3.69 54.54 0.00 0.95 0.26 34 A C C 19.00 19.84 10.71 29.56 114.85 97.86 -81.59 138.96 62.99 31.67 5.33 48.00 10.68 3.57 3.21 2.40 0.02 27.66 4.45 35 I E E 67.59 10.93 15.91 27.69 117.65 -145.59 -100.78 129.78 20.15 79.45 0.39 17.48 2.15 0.30 0.27 0.20 0.00 75.71 3.90 36 K E E 123.39 6.72 16.26 24.34 111.92 -156.19 -93.65 109.01 19.87 79.93 0.20 15.45 3.59 0.28 0.06 0.11 0.00 80.17 0.33 37 R E E 133.80 5.91 15.15 22.60 125.27 -122.70 -121.10 140.68 13.90 85.85 0.25 12.07 1.28 0.17 0.08 0.12 0.00 85.98 0.30 38 F E E 94.07 10.87 11.59 23.41 125.00 -165.26 -120.57 142.26 8.11 91.77 0.12 7.67 0.37 0.05 0.06 0.05 0.00 91.36 0.44 39 Q E E 111.03 4.25 14.77 20.68 118.04 -149.43 -109.35 130.08 8.66 91.22 0.12 7.94 0.52 0.07 0.05 0.04 0.00 91.00 0.36 40 I E E 78.94 9.58 10.07 21.01 115.74 -150.75 -99.90 128.68 19.57 80.24 0.19 18.63 0.77 0.11 0.09 0.08 0.00 79.73 0.59 41 K C C 131.60 3.50 12.59 17.56 107.16 -171.62 -96.83 25.51 58.87 40.58 0.56 46.10 11.49 0.79 0.25 0.29 0.00 40.03 1.05 42 S C C 58.67 3.82 11.49 16.72 122.73 -3.59 -110.91 149.08 79.68 17.56 2.77 60.24 17.78 1.33 2.43 0.73 0.00 14.81 2.69 43 L H H 121.61 2.21 11.78 15.02 93.60 -111.98 -62.07 -36.66 5.93 0.27 93.80 2.82 1.53 2.23 92.10 1.09 0.01 0.15 0.06 44 I H H 114.99 1.48 13.55 14.81 92.52 52.17 -66.26 -40.07 2.79 0.12 97.08 1.25 0.49 1.30 95.80 1.05 0.01 0.08 0.02 45 E H H 86.49 4.95 12.93 19.41 92.99 49.40 -67.25 -39.44 1.62 0.08 98.30 0.78 0.25 0.75 96.98 1.16 0.00 0.06 0.01 46 A H H 42.98 5.56 12.88 20.33 91.84 52.78 -63.98 -41.08 1.25 0.03 98.72 0.48 0.15 0.62 98.08 0.64 0.00 0.02 0.01 47 A H H 59.25 2.07 16.67 18.32 92.24 51.08 -64.53 -41.01 2.26 0.04 97.71 0.45 0.21 1.52 97.00 0.80 0.00 0.02 0.01 48 A H H 53.18 3.37 15.59 19.77 92.09 50.74 -65.03 -40.03 6.34 0.09 93.57 0.98 0.50 4.95 92.52 0.95 0.02 0.05 0.03 49 H H H 77.94 7.05 14.16 22.60 92.78 50.82 -65.94 -40.20 9.12 0.19 90.69 2.26 1.28 5.87 89.48 0.90 0.04 0.08 0.10 50 D H H 79.89 3.12 16.01 19.70 92.13 52.93 -64.12 -40.87 5.42 0.12 94.47 2.34 0.76 2.58 93.37 0.83 0.01 0.06 0.04 51 D H H 88.07 1.93 16.05 17.62 92.39 50.01 -65.61 -39.49 5.09 0.11 94.80 1.86 0.63 2.88 93.32 1.19 0.01 0.07 0.03 52 V H H 69.69 5.75 13.22 20.46 93.00 50.80 -66.42 -39.64 3.25 0.06 96.68 0.93 0.36 1.97 95.14 1.55 0.01 0.04 0.02 53 R H H 133.06 5.08 13.60 19.99 92.63 53.20 -65.85 -36.17 5.39 0.07 94.54 0.90 0.50 3.82 92.93 1.77 0.02 0.04 0.02 54 T H H 102.69 1.37 14.79 15.71 93.34 51.96 -72.74 -25.23 19.97 0.13 79.90 1.45 1.40 16.80 78.51 1.67 0.05 0.05 0.07 55 A C H 66.08 3.75 11.71 16.83 97.77 59.64 -82.58 -9.15 49.64 1.02 49.35 10.37 8.50 30.87 46.88 2.34 0.09 0.41 0.52 56 T C C 66.28 7.96 9.26 18.54 112.91 98.47 -88.95 130.62 74.94 13.38 11.68 50.76 13.76 9.56 9.44 3.06 0.05 6.51 6.85 57 I C C 117.77 3.13 11.96 16.26 99.86 -165.46 -85.49 -13.44 77.82 12.64 9.54 36.86 28.12 13.86 5.85 3.66 0.08 6.75 4.82 58 Y C C 121.25 5.89 8.62 16.20 114.64 66.83 -98.26 117.93 77.90 10.69 11.41 43.17 21.79 13.49 5.34 5.86 0.06 5.77 4.52 59 E C T 151.83 1.63 11.59 14.05 98.70 -162.61 -79.15 -17.04 74.32 4.24 21.44 23.43 24.44 28.32 5.20 14.65 0.04 2.58 1.35 60 E C T 139.84 1.79 11.95 14.47 110.88 39.67 -104.32 65.90 69.53 7.64 22.83 23.04 20.36 28.39 4.61 16.53 0.06 5.16 1.85 61 Y C C 121.39 8.30 9.02 18.33 117.28 61.37 -103.89 130.69 68.57 12.93 18.50 46.21 13.72 8.81 4.05 14.97 0.02 9.37 2.85 62 E C C 132.58 2.83 14.15 18.25 116.21 -159.79 -101.82 127.98 74.22 19.51 6.28 58.96 10.22 3.83 2.70 3.95 0.01 13.37 6.97 63 V C C 67.71 11.57 10.25 22.48 117.39 -142.18 -97.40 132.56 86.73 12.45 0.82 69.17 17.15 0.74 0.44 0.43 0.00 8.99 3.09 64 P C C 55.81 8.50 12.17 22.50 114.66 -109.45 -66.14 149.91 90.34 7.27 2.40 82.27 5.60 2.47 0.54 1.82 0.00 6.13 1.17 65 K C S 148.55 3.13 14.85 19.14 96.12 -124.24 -71.32 -25.04 87.48 7.66 4.85 13.54 60.98 13.79 0.96 3.29 0.01 6.56 0.86 66 F C E 100.80 7.26 14.51 22.96 122.57 42.14 -118.88 134.98 47.57 46.12 6.31 19.73 19.33 11.66 1.16 4.33 0.02 42.54 1.23 67 F E E 72.99 13.20 13.48 27.15 126.65 -174.82 -124.48 143.72 22.77 74.89 2.33 19.64 2.53 0.93 0.94 1.19 0.00 73.91 0.87 68 H E E 74.43 11.10 16.99 28.91 121.49 -153.73 -112.64 135.47 9.11 90.04 0.85 7.82 1.00 0.35 0.51 0.28 0.00 89.70 0.33 69 K E E 87.70 11.82 18.54 30.54 121.16 -154.57 -109.48 133.79 6.84 92.36 0.80 5.64 0.83 0.30 0.48 0.25 0.00 92.30 0.21 70 N E E 38.68 15.50 17.95 33.64 122.52 -162.78 -112.11 136.22 9.30 89.91 0.79 7.89 0.97 0.30 0.49 0.25 0.00 89.88 0.22 71 Q E E 50.87 14.13 20.93 35.12 125.09 -162.70 -116.26 137.16 8.96 89.81 1.23 7.59 0.95 0.36 0.88 0.38 0.00 89.29 0.53 72 Y E E 41.58 17.57 20.19 37.42 124.86 -162.75 -117.61 140.06 19.19 79.14 1.67 17.01 1.51 0.44 1.36 0.47 0.00 78.01 1.19 73 C C C 22.34 15.77 21.05 37.01 112.44 -127.20 -88.41 127.26 51.92 45.47 2.60 47.88 2.33 0.63 1.88 0.69 0.00 44.89 1.71 74 V H H 38.69 16.33 19.94 36.12 94.92 -155.54 -69.72 -32.74 34.34 8.87 56.79 19.73 7.05 8.74 44.76 10.46 0.23 7.96 1.07 75 S H H 41.40 8.94 21.21 30.99 91.88 61.65 -65.16 -35.78 24.72 5.48 69.80 11.58 4.97 9.15 54.13 14.15 0.20 5.04 0.78 76 C H H 31.37 11.45 18.65 31.20 92.52 54.91 -67.72 -35.00 16.10 4.48 79.42 7.60 3.18 5.89 61.11 17.13 0.10 4.48 0.51 77 A H H 19.33 15.36 15.65 31.60 92.62 58.10 -65.94 -38.51 15.34 6.31 78.35 7.78 2.87 5.48 63.87 13.00 0.11 6.25 0.65 78 V H H 65.54 8.59 16.92 26.28 93.34 51.57 -68.11 -38.76 20.03 9.76 70.20 8.93 4.01 8.44 59.65 8.68 0.35 8.62 1.32 79 H H H 113.51 4.79 16.22 21.89 94.74 50.34 -73.88 -28.87 32.31 6.20 61.48 12.29 5.66 15.16 53.35 6.87 0.44 4.77 1.47 80 L C H 78.99 7.55 13.52 22.37 96.83 50.23 -85.01 -2.34 56.96 1.71 41.33 10.81 9.06 35.67 37.12 5.53 0.14 1.01 0.67 81 K C T 144.87 3.87 15.95 21.24 95.89 -122.51 59.97 28.92 63.19 2.39 34.42 13.03 9.85 38.75 30.51 5.40 0.12 1.53 0.81 82 A C H 45.95 10.03 14.10 25.12 102.16 129.05 -86.30 -12.00 52.21 14.56 33.23 24.90 13.16 15.36 26.96 5.82 0.43 10.35 3.01 83 V C C 58.81 12.75 13.18 26.10 119.02 48.67 -108.27 134.50 51.69 18.75 29.56 29.26 13.69 9.60 24.32 5.22 0.28 14.27 3.36 84 R C C 140.45 5.34 17.29 23.79 113.86 -146.74 -96.92 120.53 58.87 16.77 24.37 40.20 10.78 7.54 20.56 4.60 0.09 13.35 2.87 85 C C C 57.32 12.15 12.23 24.77 113.90 -143.50 -92.56 126.21 70.16 10.86 18.98 53.26 9.59 6.35 16.83 3.35 0.03 8.52 2.09 86 R C C 122.60 6.79 13.66 21.82 116.60 -165.72 -98.81 139.45 76.81 6.86 16.32 57.08 12.69 5.73 15.24 2.53 0.01 4.99 1.72 87 S C C 52.25 4.74 13.74 19.84 118.26 -113.95 -82.10 156.49 79.79 3.93 16.28 64.67 9.17 4.76 15.29 2.29 0.00 2.48 1.34 88 A H H 69.50 4.90 11.59 18.20 93.17 -111.71 -61.22 -35.64 29.80 1.08 69.12 13.56 8.05 10.36 58.63 8.32 0.08 0.61 0.41 89 E H H 129.92 1.44 14.40 15.49 92.97 53.67 -66.40 -38.04 25.62 0.69 73.69 6.23 4.77 14.80 61.93 11.37 0.19 0.43 0.27 90 G H H 27.43 5.57 11.81 19.47 93.09 50.24 -66.57 -35.64 27.71 0.90 71.39 9.22 5.04 13.98 58.61 12.16 0.11 0.55 0.34 91 R H H 103.02 8.16 10.69 20.11 93.15 57.82 -67.80 -34.50 27.61 1.40 70.99 14.72 5.61 9.00 59.65 9.67 0.06 0.78 0.51 92 K H H 137.19 2.47 13.87 17.22 93.56 58.20 -68.72 -27.49 35.91 2.63 61.46 16.47 7.31 14.35 51.35 7.91 0.14 1.54 0.94 93 D C H 99.29 2.68 13.48 16.91 98.49 53.85 -88.29 -2.78 52.69 2.70 44.60 24.61 9.36 20.08 37.28 6.06 0.08 1.39 1.14 94 R C C 122.40 7.80 10.09 19.02 102.55 97.72 -80.56 6.08 73.44 3.36 23.20 40.64 17.42 14.88 20.67 3.24 0.03 1.50 1.62 95 S C C 73.84 3.59 12.76 17.64 109.08 68.27 -92.87 80.20 89.22 3.04 7.74 50.78 31.44 6.83 6.33 1.64 0.00 1.24 1.72 96 N C C 84.51 5.55 10.68 17.90 114.27 42.19 -85.55 138.40 94.67 0.56 4.77 77.00 14.69 2.65 4.23 0.83 0.00 0.22 0.39 97 P C C 84.26 4.93 10.46 17.15 102.89 -116.82 -65.92 -0.75 65.30 0.69 34.01 42.00 8.09 15.28 23.45 10.42 0.00 0.34 0.42 98 H C C 127.71 3.45 10.79 15.75 105.39 57.03 -76.86 47.15 56.64 1.59 41.77 31.99 8.98 16.15 26.85 14.39 0.02 0.83 0.81 99 A C C 67.54 4.53 9.19 15.44 109.14 66.84 -81.40 114.68 49.63 2.53 47.84 30.08 8.88 10.89 29.14 18.57 0.02 1.46 0.96 100 R C C 156.06 3.05 9.31 14.04 110.11 -145.90 -89.85 99.76 50.95 3.89 45.16 31.00 9.71 10.70 27.69 17.17 0.03 2.41 1.28 101 V C C 106.50 3.17 7.58 12.54 109.64 -128.37 -89.21 109.78 60.08 4.39 35.52 33.78 11.11 15.64 21.89 13.23 0.04 2.72 1.60 102 K C C 156.51 1.71 7.90 11.15 109.52 -146.54 -89.26 107.42 77.57 2.55 19.88 61.43 2.23 15.36 12.76 5.52 0.00 1.55 1.14 103 Q C C 135.86 2.42 9.42 13.51 109.08 -142.73 -87.31 110.47 99.88 0.07 0.06 99.68 0.13 0.11 0.03 0.00 0.00 0.03 0.01