# 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 132.81 3.41 11.96 16.93 116.06 -151.85 -98.51 129.18 99.85 0.13 0.02 99.74 0.11 0.05 0.01 0.00 0.00 0.07 0.02 1 A C C 70.57 5.61 8.74 16.15 116.69 -150.53 -94.12 138.38 93.71 3.61 2.67 90.30 1.09 3.11 1.02 1.02 0.00 2.22 1.24 2 T C C 104.91 2.35 11.07 15.10 114.75 -153.90 -99.43 129.60 89.53 6.55 3.92 65.90 15.95 7.67 1.25 2.73 0.00 4.17 2.33 3 L C C 101.61 6.56 10.19 18.39 116.55 -141.56 -95.08 132.46 89.64 6.22 4.14 68.11 14.97 6.38 1.46 2.74 0.00 3.84 2.49 4 A C C 56.00 9.15 11.60 21.85 113.22 -135.96 -84.15 145.67 95.47 2.28 2.25 74.03 18.07 3.37 0.91 1.27 0.00 1.14 1.22 5 D C C 75.06 5.74 17.58 24.11 111.82 -113.44 -93.53 117.35 99.12 0.44 0.43 87.78 10.94 0.45 0.28 0.11 0.00 0.16 0.27 6 P H G 47.51 16.49 12.85 29.44 91.92 -143.28 -60.98 -29.30 24.32 0.27 75.41 3.87 2.62 16.36 27.04 49.82 0.01 0.17 0.11 7 R H G 119.25 9.99 18.04 28.42 91.61 65.24 -68.90 -19.75 19.11 0.38 80.51 2.22 2.01 13.46 29.62 52.30 0.02 0.24 0.12 8 D H G 67.47 8.78 20.20 29.49 93.48 62.22 -78.25 -17.75 16.10 1.48 82.42 4.55 2.97 8.52 29.08 53.50 0.02 1.10 0.25 9 I H H 24.78 19.87 17.72 36.85 100.03 56.15 -88.21 -25.13 33.23 14.73 52.04 9.93 9.40 16.01 26.65 23.45 1.19 11.12 2.24 10 I E E 24.98 20.35 19.54 39.24 114.46 62.62 -103.41 121.46 15.76 75.13 9.11 10.32 3.71 3.15 7.52 3.03 0.05 66.24 5.99 11 L E E 49.75 16.08 21.61 36.87 116.89 -171.46 -104.75 124.24 19.01 79.53 1.47 15.15 3.53 0.86 1.34 0.54 0.01 74.01 4.55 12 A E E 37.01 13.83 22.74 36.20 128.97 -162.97 -130.22 139.65 37.14 62.74 0.12 31.11 5.11 0.23 0.05 0.07 0.00 62.76 0.68 13 P C E 40.74 16.34 20.32 36.08 115.08 -106.27 -67.87 146.58 51.67 48.18 0.16 44.92 5.11 0.41 0.05 0.11 0.00 48.37 1.04 14 V C C 30.33 17.96 17.57 35.57 110.63 -121.88 -86.72 121.26 62.83 36.84 0.32 59.17 2.71 0.35 0.19 0.17 0.00 27.82 9.60 15 I C C 76.66 11.63 18.51 30.29 104.45 170.45 -104.35 -1.25 91.19 8.54 0.27 78.32 12.62 0.60 0.13 0.14 0.00 6.27 1.91 16 S C S 41.03 6.52 17.33 25.13 134.53 80.60 -133.02 169.56 94.51 3.05 2.44 39.86 53.64 1.37 2.09 0.43 0.00 0.93 1.69 17 E H H 145.27 2.21 15.50 18.80 90.68 -100.91 -60.33 -36.37 22.43 0.31 77.26 2.71 4.50 14.83 60.87 16.55 0.21 0.15 0.17 18 K H H 131.79 3.04 17.14 21.02 92.10 54.26 -65.87 -35.37 19.94 0.27 79.79 2.16 2.36 14.04 59.39 21.64 0.14 0.16 0.11 19 S H H 12.95 19.12 11.60 30.32 94.17 48.83 -73.87 -28.08 15.01 0.49 84.49 3.07 2.10 8.93 60.09 25.25 0.09 0.35 0.13 20 Y H H 106.83 9.29 15.99 26.09 93.36 66.55 -63.19 -38.69 17.03 0.71 82.26 4.63 2.85 9.48 63.16 19.03 0.16 0.45 0.23 21 G H H 41.21 2.44 19.17 21.13 92.35 52.89 -64.61 -33.80 34.59 1.00 64.41 5.02 4.03 24.44 48.53 16.63 0.31 0.65 0.40 22 L H H 40.34 12.56 14.11 27.60 94.09 56.15 -73.17 -28.34 32.70 2.34 64.97 11.08 5.52 16.10 45.81 18.91 0.23 1.60 0.75 23 L H H 56.33 15.91 12.10 27.26 93.62 65.06 -65.53 -39.13 27.90 2.09 70.01 10.03 4.63 13.24 45.16 24.70 0.18 1.48 0.59 24 D H H 116.81 1.52 17.02 18.21 94.01 55.98 -70.54 -22.97 34.56 2.19 63.26 6.96 5.31 21.30 37.55 26.17 0.44 1.48 0.78 25 D C T 94.06 3.53 15.96 20.17 97.21 51.45 -90.21 3.73 69.97 0.51 29.52 4.14 10.46 55.05 12.03 17.58 0.03 0.26 0.44 26 N C T 92.48 9.12 16.37 26.29 95.67 -112.55 61.77 35.14 98.72 0.39 0.89 9.06 8.62 81.18 0.17 0.61 0.00 0.28 0.08 27 V C C 35.40 13.97 17.47 32.35 122.69 138.47 -108.14 138.81 55.94 43.98 0.08 50.11 4.45 0.23 0.02 0.06 0.00 43.78 1.35 28 Y E E 31.00 18.39 20.85 39.14 117.20 -137.16 -93.48 132.81 12.73 87.25 0.02 12.36 0.35 0.03 0.01 0.01 0.00 86.97 0.28 29 T E E 20.01 17.93 23.84 41.34 126.52 -166.64 -120.38 140.47 2.37 97.63 0.00 2.35 0.04 0.00 0.00 0.00 0.00 97.56 0.04 30 F E E 8.67 23.25 22.18 45.06 127.54 -171.66 -124.95 139.73 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 31 L E E 39.84 13.84 26.84 40.94 115.96 -143.40 -102.85 125.70 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 32 V E E 5.71 24.21 17.30 41.74 130.25 -175.30 -125.10 149.23 2.30 97.69 0.00 2.28 0.04 0.00 0.00 0.00 0.00 97.35 0.32 33 R C C 84.17 8.76 23.33 32.59 112.72 -105.28 -70.96 139.03 94.78 5.21 0.01 94.97 0.38 0.02 0.00 0.01 0.00 4.50 0.13 34 P C T 55.46 14.98 15.25 30.42 91.26 -122.80 -60.93 -26.83 99.14 0.37 0.49 0.57 3.16 95.52 0.01 0.45 0.00 0.23 0.05 35 D C T 113.33 1.67 21.27 22.32 93.16 58.32 -88.66 0.74 99.37 0.16 0.47 0.62 2.83 95.96 0.01 0.46 0.00 0.11 0.02 36 S C C 11.90 20.67 9.89 30.34 117.08 124.43 -68.90 144.05 98.75 1.08 0.18 80.31 18.30 0.22 0.04 0.13 0.00 0.43 0.58 37 N C C 76.84 3.71 24.14 26.95 125.50 -140.55 -97.95 165.33 93.20 6.62 0.18 92.33 0.70 0.05 0.12 0.02 0.00 0.96 5.83 38 K H H 87.55 15.78 14.65 29.78 91.11 -102.73 -58.78 -37.44 2.28 0.00 97.71 0.22 0.25 1.59 97.70 0.23 0.00 0.00 0.00 39 T H H 87.26 2.49 22.48 24.31 91.70 53.41 -64.20 -40.57 1.39 0.00 98.61 0.10 0.09 1.12 98.44 0.25 0.00 0.00 0.00 40 Q H H 62.95 10.36 20.92 31.66 91.86 49.32 -65.52 -40.54 0.24 0.00 99.76 0.03 0.02 0.15 99.67 0.12 0.00 0.00 0.00 41 I H H 1.58 27.32 16.01 44.28 91.05 49.86 -63.54 -43.54 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 42 K H H 75.68 14.21 22.53 35.66 91.25 51.67 -61.81 -42.43 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 43 I H H 80.04 3.54 26.21 29.30 91.62 49.43 -63.87 -42.44 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 44 A H H 6.54 17.64 20.93 39.40 91.43 50.09 -63.55 -43.35 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 45 V H H 1.75 26.76 17.71 45.11 91.54 48.87 -64.32 -42.96 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 46 E H H 81.65 10.53 20.32 30.90 92.01 51.15 -64.26 -40.87 0.09 0.00 99.91 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 47 K H H 127.17 3.20 22.37 25.49 92.70 47.76 -68.33 -39.17 0.36 0.00 99.64 0.01 0.01 0.33 99.59 0.05 0.00 0.00 0.00 48 I H H 34.61 16.94 17.68 34.19 98.73 37.96 -83.92 -39.18 1.57 0.00 98.43 0.03 0.05 1.50 98.34 0.07 0.00 0.00 0.00 49 F H H 21.34 20.47 15.29 35.68 102.78 25.89 -108.90 -4.21 12.78 0.07 87.15 0.91 1.91 9.50 87.37 0.22 0.03 0.02 0.05 50 A C T 79.42 3.28 22.44 25.94 94.69 -126.96 58.15 40.95 99.53 0.19 0.28 31.11 16.94 51.56 0.11 0.12 0.00 0.11 0.06 51 V C C 17.54 20.36 12.10 32.44 128.63 133.94 -120.04 146.74 95.02 4.93 0.05 79.74 15.15 0.27 0.01 0.03 0.00 4.41 0.39 52 K C C 125.73 3.27 24.45 27.57 112.75 -126.62 -91.11 127.05 83.18 16.80 0.03 82.38 0.80 0.07 0.00 0.02 0.00 16.45 0.28 53 V E E 23.02 23.10 11.03 33.38 113.19 -141.01 -86.03 123.41 16.06 83.91 0.03 17.02 0.25 0.02 0.01 0.02 0.00 81.82 0.87 54 A E E 60.49 4.50 21.48 26.41 98.45 -175.65 -88.85 -34.46 16.33 83.62 0.05 9.26 7.09 0.26 0.00 0.04 0.00 83.23 0.12 55 S E E 48.23 5.26 23.60 29.70 141.85 -1.15 -158.06 155.54 2.66 97.32 0.02 2.01 0.39 0.05 0.00 0.01 0.00 97.51 0.03 56 V E E 33.77 22.80 12.17 33.79 127.33 -165.06 -134.92 133.84 1.39 98.60 0.00 1.23 0.07 0.00 0.00 0.00 0.00 98.67 0.02 57 N E E 71.28 5.72 24.86 30.81 128.11 -175.25 -128.76 144.71 2.10 97.89 0.00 1.70 0.15 0.01 0.00 0.00 0.00 98.11 0.02 58 T E E 44.50 19.65 13.58 32.09 126.32 -159.80 -122.53 138.92 2.39 97.61 0.00 2.21 0.08 0.00 0.00 0.00 0.00 97.66 0.04 59 A E E 41.26 8.35 19.65 29.20 126.78 -171.41 -125.50 141.52 2.51 97.48 0.01 2.22 0.16 0.01 0.00 0.00 0.00 97.43 0.17 60 N E E 82.05 10.89 15.02 26.71 118.13 -147.67 -104.87 129.98 7.72 92.26 0.03 6.60 0.93 0.07 0.01 0.02 0.00 92.05 0.33 61 R E E 94.26 9.42 14.15 24.96 124.59 -171.26 -116.38 139.91 36.42 63.46 0.13 32.78 2.53 0.28 0.03 0.10 0.00 63.16 1.13 62 Q C C 131.33 2.53 16.43 19.97 112.17 -115.01 -79.49 136.84 61.90 37.73 0.37 51.37 7.33 1.62 0.06 0.32 0.00 38.28 1.01 63 G C C 28.00 12.18 9.51 21.79 125.77 -130.91 -102.46 168.31 58.55 41.09 0.35 46.11 9.82 2.39 0.06 0.34 0.00 40.12 1.16 64 K E E 132.01 2.69 15.35 18.99 121.99 -94.95 -108.40 144.83 29.34 70.37 0.29 25.92 2.57 0.47 0.11 0.19 0.00 67.84 2.89 65 R E E 143.67 6.26 10.00 18.27 116.06 -125.77 -88.27 134.09 21.35 78.44 0.21 19.32 1.52 0.29 0.09 0.12 0.00 76.87 1.80 66 K E E 110.47 4.26 10.67 17.03 122.71 -168.84 -117.57 140.42 18.72 81.05 0.24 15.87 2.34 0.51 0.08 0.16 0.00 79.98 1.06 67 R E E 175.92 1.79 9.27 12.87 114.42 -131.60 -90.16 128.43 24.52 75.20 0.27 20.28 3.39 0.69 0.10 0.20 0.00 73.54 1.80 68 T C C 68.22 3.97 7.44 13.57 128.65 173.73 -125.63 167.61 54.89 44.54 0.57 46.55 5.19 1.63 0.17 0.42 0.00 44.39 1.64 69 R C T 209.25 0.28 9.08 8.17 93.23 -90.01 -64.03 -28.20 97.81 1.40 0.79 22.14 31.64 44.12 0.12 0.67 0.00 1.10 0.21 70 T C T 118.29 0.65 8.57 9.13 100.46 38.76 -97.50 0.41 97.87 1.38 0.76 18.82 31.06 48.02 0.10 0.72 0.00 1.09 0.19 71 G E E 37.72 2.22 12.03 15.37 134.88 -67.38 143.67 -175.81 49.39 50.29 0.32 32.68 15.07 3.35 0.06 0.34 0.00 46.93 1.57 72 Y E E 160.79 3.43 9.53 15.12 121.42 -58.81 -104.65 143.46 28.88 71.00 0.13 24.48 3.00 0.72 0.04 0.12 0.00 70.13 1.51 73 G E E 32.70 4.62 12.65 19.14 136.24 159.62 -159.47 175.86 18.72 81.19 0.09 13.62 4.56 0.86 0.01 0.07 0.00 80.36 0.51 74 K E E 134.00 4.41 12.71 19.22 120.43 -86.62 -104.65 141.64 12.59 87.34 0.06 10.85 1.13 0.15 0.03 0.04 0.00 83.99 3.81 75 R E E 100.51 9.89 11.19 22.26 122.71 -155.45 -110.46 145.04 42.68 57.19 0.13 40.05 1.82 0.23 0.04 0.09 0.00 55.23 2.54 76 K C C 130.47 4.21 16.28 21.83 114.68 -111.52 -76.98 142.70 72.16 27.70 0.14 56.93 12.25 1.44 0.02 0.15 0.00 28.56 0.66 77 S C C 45.57 11.71 13.90 26.18 112.02 -121.86 -81.39 132.00 73.39 26.50 0.11 53.01 17.06 1.74 0.01 0.14 0.00 27.51 0.53 78 T E E 39.78 11.99 17.00 30.11 125.77 -167.68 -119.83 145.56 27.27 72.70 0.03 24.36 1.95 0.12 0.00 0.03 0.00 72.69 0.85 79 K E E 50.74 15.05 18.48 33.83 124.52 -155.10 -115.31 139.30 4.75 95.25 0.00 4.33 0.23 0.01 0.00 0.00 0.00 95.25 0.17 80 R E E 68.29 13.98 21.92 35.76 128.25 -161.93 -122.30 143.54 1.48 98.51 0.00 1.34 0.05 0.00 0.00 0.00 0.00 98.57 0.03 81 A E E 7.14 21.50 18.77 40.77 122.17 -155.93 -112.99 135.99 0.64 99.36 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.35 0.01 82 I E E 40.44 11.94 25.14 37.92 117.78 -155.48 -108.89 126.29 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 83 V E E 6.67 23.78 18.43 42.63 122.82 -169.13 -117.83 133.47 0.40 99.60 0.00 0.39 0.00 0.00 0.00 0.00 0.00 99.60 0.00 84 T E E 47.70 9.51 26.43 36.44 121.18 -159.43 -109.33 134.78 1.31 98.69 0.00 1.30 0.02 0.00 0.00 0.00 0.00 98.63 0.05 85 L E E 14.57 22.50 13.67 36.11 118.74 -142.51 -93.11 140.53 11.64 88.36 0.01 11.44 0.28 0.01 0.00 0.00 0.00 86.42 1.85 86 A C C 39.83 7.67 17.81 26.86 117.63 -111.76 -70.16 153.46 96.17 3.79 0.04 94.48 1.74 0.13 0.01 0.03 0.00 3.33 0.29 87 P C T 108.48 3.14 15.34 19.97 109.76 -85.26 -60.89 137.24 97.59 0.87 1.54 1.76 6.55 89.37 0.11 1.43 0.00 0.56 0.22 88 G C T 60.50 1.44 16.06 16.65 100.25 23.86 84.86 -5.86 97.78 0.75 1.47 3.16 6.34 88.17 0.10 1.55 0.00 0.55 0.14 89 S C C 40.75 15.17 10.11 24.59 117.00 124.03 -82.24 143.29 94.17 4.48 1.34 81.85 10.46 1.55 0.24 1.38 0.00 2.70 1.83 90 R C C 145.81 3.86 19.75 24.60 120.08 -147.99 -107.39 136.42 91.22 8.43 0.35 83.45 7.14 0.60 0.12 0.22 0.00 6.37 2.11 91 P C C 61.50 14.60 15.52 29.64 114.23 -108.24 -67.61 145.44 83.32 14.59 2.09 72.78 7.53 2.43 0.70 1.44 0.00 12.36 2.76 92 I C C 34.93 18.21 14.01 32.09 115.27 -124.12 -94.05 130.11 75.56 19.79 4.65 61.64 9.93 3.21 1.88 3.01 0.01 13.98 6.34 93 D C C 87.10 5.97 20.85 27.59 108.63 -140.42 -91.20 111.81 81.42 13.95 4.64 73.95 4.55 2.70 1.52 3.00 0.00 10.95 3.33 94 L C C 49.79 17.37 13.74 30.42 99.22 -177.76 -85.97 -17.50 83.05 7.56 9.39 37.03 18.35 28.64 1.95 7.15 0.02 4.62 2.23 95 F C T 101.29 10.48 14.60 25.38 102.06 51.66 -90.07 14.45 86.74 5.57 7.69 19.40 20.84 46.81 1.50 6.09 0.01 3.51 1.85 96 G C C 52.07 3.90 14.56 19.75 101.83 -83.94 83.59 8.17 91.35 4.13 4.52 34.70 28.78 28.09 0.59 4.18 0.00 2.39 1.26 97 A C C 52.19 8.05 10.28 19.91 118.66 137.12 -88.56 144.85 92.67 6.59 0.74 61.35 29.23 2.40 0.20 0.58 0.00 3.94 2.31 98 P C C 105.69 2.42 13.46 17.12 111.37 -102.71 -68.35 143.66 91.79 7.58 0.63 88.48 1.59 2.16 0.19 0.32 0.00 3.88 3.36 99 A C C 63.67 10.62 11.43 22.23 111.16 -111.36 -77.60 138.94 99.72 0.26 0.01 99.63 0.13 0.04 0.00 0.00 0.00 0.16 0.03