# 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 131.81 2.92 10.48 15.14 116.43 -153.59 -95.63 133.18 99.83 0.15 0.02 99.75 0.11 0.04 0.01 0.00 0.00 0.07 0.02 1 A C C 81.62 3.04 8.26 13.29 112.76 -119.23 -77.83 143.19 86.28 2.81 10.91 79.75 1.36 7.13 3.71 5.17 0.00 1.84 1.05 2 S C C 85.51 2.57 8.12 12.46 111.66 -129.11 -86.75 133.09 79.71 4.49 15.81 48.64 14.46 16.98 4.42 11.24 0.00 2.98 1.27 3 S C C 88.53 2.26 8.95 12.77 109.95 -154.26 -96.43 104.41 73.19 8.33 18.49 45.68 15.83 12.19 5.71 12.68 0.01 6.19 1.72 4 R C C 156.65 3.22 9.03 14.21 116.17 154.69 -99.61 134.07 65.75 17.25 17.00 47.02 11.97 6.78 8.32 8.90 0.04 13.70 3.26 5 V C C 93.04 6.17 8.67 16.50 116.26 -139.64 -96.75 129.83 66.77 21.93 11.30 53.91 8.01 4.01 6.90 4.64 0.01 18.95 3.56 6 T C C 90.96 3.83 11.38 16.98 115.94 -165.67 -106.33 132.53 68.70 21.93 9.37 52.91 10.20 4.81 5.59 4.00 0.02 19.47 3.01 7 Y C C 143.80 5.39 9.94 17.16 117.67 -149.52 -103.01 132.21 71.58 21.49 6.93 53.24 12.92 4.94 3.82 3.38 0.02 17.68 3.99 8 R C C 143.84 4.81 10.60 17.37 118.93 -160.99 -105.82 134.51 82.04 14.80 3.16 66.39 11.46 3.68 1.45 1.69 0.00 12.59 2.74 9 R C C 155.62 3.94 10.76 16.73 114.44 -131.11 -89.28 135.02 86.78 11.09 2.13 72.04 10.62 3.71 0.82 1.33 0.00 8.44 3.05 10 R C C 143.56 5.42 9.96 17.20 113.79 -140.09 -91.09 138.57 91.27 7.83 0.91 73.40 15.74 1.94 0.36 0.57 0.00 4.28 3.72 11 N C C 91.87 5.01 10.76 17.38 115.68 -109.26 -84.22 140.69 95.98 2.27 1.75 75.97 15.32 4.38 0.37 1.62 0.00 1.22 1.11 12 P C T 99.69 3.52 12.18 17.11 97.18 -115.38 -69.09 -17.86 93.34 0.95 5.71 27.14 21.34 44.39 0.70 5.54 0.00 0.51 0.39 13 Y C T 127.42 6.73 11.29 19.34 102.95 58.36 -92.26 14.11 89.64 3.70 6.66 30.83 19.35 39.66 1.03 5.71 0.00 1.74 1.66 14 N C C 81.72 8.42 11.22 20.89 110.35 111.95 -89.69 111.63 91.13 4.35 4.52 63.10 20.57 6.76 1.05 3.84 0.00 2.15 2.52 15 T C C 55.48 7.49 12.18 21.37 127.01 161.62 -120.14 157.81 89.05 6.92 4.03 61.61 22.22 4.53 1.48 2.55 0.00 2.67 4.93 16 T C T 106.26 3.23 13.88 18.32 94.69 -120.28 -70.57 -18.99 62.03 2.39 35.58 14.08 16.47 32.69 3.46 30.97 0.02 1.28 1.03 17 S C T 68.21 4.68 14.25 20.13 95.46 65.82 -80.76 -11.45 61.90 2.90 35.20 12.10 14.40 36.39 3.11 31.27 0.02 1.79 0.93 18 N C G 61.69 11.95 11.95 24.49 107.81 68.42 -93.96 92.64 55.04 8.74 36.22 27.99 14.40 15.27 3.56 30.92 0.01 6.48 1.38 19 K C C 98.43 7.44 16.29 24.76 114.78 134.57 -90.54 134.38 61.13 35.16 3.71 45.78 11.12 4.25 0.86 2.73 0.00 33.64 1.62 20 T E E 62.90 10.97 13.97 25.75 123.41 -149.94 -113.30 137.59 12.48 87.43 0.09 11.34 0.90 0.11 0.03 0.05 0.00 87.17 0.40 21 R E E 96.98 8.30 15.93 25.65 126.27 -171.65 -125.71 142.02 1.59 98.40 0.01 1.49 0.06 0.01 0.00 0.00 0.00 98.39 0.05 22 I E E 87.46 7.56 14.74 23.83 115.86 -132.22 -96.79 127.66 0.86 99.13 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.12 0.02 23 V E E 45.11 10.12 12.40 24.44 125.12 -172.79 -121.03 141.71 1.50 98.50 0.00 1.41 0.05 0.00 0.00 0.00 0.00 98.50 0.03 24 K E E 137.53 3.02 13.57 18.10 114.56 -129.86 -93.16 126.26 7.20 92.79 0.01 6.75 0.34 0.02 0.00 0.01 0.00 92.34 0.53 25 T C C 42.50 9.70 7.37 18.23 122.83 -150.26 -90.95 162.61 95.20 4.76 0.05 94.79 0.79 0.09 0.01 0.02 0.00 3.96 0.34 26 P C T 119.34 1.23 10.36 12.24 100.76 -94.33 -62.78 19.05 96.88 0.65 2.47 1.04 5.41 90.13 0.06 2.78 0.00 0.45 0.13 27 G C T 64.01 0.64 10.23 10.31 96.26 40.37 -75.02 -0.14 96.81 0.18 3.02 0.56 4.64 91.16 0.06 3.43 0.00 0.10 0.05 28 G C S 53.32 2.22 10.15 13.70 98.55 -98.50 89.53 3.37 96.32 0.97 2.70 14.39 75.42 6.60 0.19 2.46 0.00 0.55 0.39 29 Q C C 106.13 2.74 11.02 15.46 117.52 131.94 -82.33 143.99 91.95 7.94 0.11 87.45 4.25 0.32 0.02 0.08 0.00 7.07 0.81 30 L E E 92.63 7.05 10.38 19.27 116.68 -128.69 -93.81 132.18 3.75 96.25 0.00 3.49 0.15 0.01 0.00 0.00 0.00 96.12 0.22 31 R E E 100.96 7.34 14.17 23.27 124.61 -169.96 -120.64 141.27 0.54 99.46 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 32 V E E 64.42 9.94 13.91 25.38 118.65 -142.29 -105.35 130.00 0.32 99.68 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 33 L E E 53.14 10.25 15.35 27.34 120.23 -165.13 -111.84 132.46 0.86 99.14 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.16 0.02 34 H E E 80.27 9.79 15.54 26.69 118.19 -155.27 -104.83 129.96 4.83 95.16 0.01 4.56 0.16 0.01 0.00 0.00 0.00 95.11 0.15 35 I E E 50.61 11.64 14.34 27.45 119.60 -162.57 -108.19 128.64 29.06 70.82 0.12 27.84 1.10 0.14 0.05 0.07 0.00 69.60 1.22 36 K C C 116.02 6.80 15.18 23.44 116.13 -148.61 -93.60 134.62 65.12 34.54 0.35 56.35 6.89 0.85 0.09 0.29 0.00 33.69 1.84 37 K C C 111.04 7.39 13.56 22.24 118.66 -137.59 -94.28 139.98 81.85 17.35 0.80 69.60 9.71 2.07 0.20 0.70 0.00 13.95 3.76 38 R C C 154.99 4.63 13.96 20.43 112.98 -113.35 -77.77 135.57 91.32 7.65 1.03 68.26 15.08 7.78 0.19 1.08 0.00 5.58 2.04 39 G C C 34.08 9.66 11.83 22.31 120.51 -123.25 -81.12 164.87 94.17 5.24 0.60 61.19 23.62 9.43 0.07 0.76 0.00 3.67 1.25 40 T C C 92.57 3.81 17.70 22.59 120.75 -103.82 -105.46 143.38 85.10 14.58 0.31 71.79 12.15 0.95 0.09 0.27 0.00 5.45 9.29 41 A C C 46.59 11.72 15.72 27.97 117.75 -107.03 -76.90 145.22 94.10 5.86 0.05 82.08 12.25 0.22 0.01 0.04 0.00 4.13 1.26 42 P C C 32.56 16.31 15.00 31.61 114.27 -105.41 -68.04 147.98 95.11 4.84 0.06 86.31 8.53 0.36 0.01 0.06 0.00 4.22 0.50 43 K E B 107.38 6.13 22.47 29.47 124.76 -148.97 -115.53 145.48 9.34 90.62 0.05 7.51 0.29 0.01 0.05 0.00 0.00 13.36 78.78 44 C C C 12.32 20.32 12.60 33.31 111.14 -110.07 -71.96 134.19 83.66 16.29 0.05 84.84 0.63 0.08 0.01 0.02 0.00 11.60 2.83 45 G C T 34.56 8.13 18.23 27.62 93.93 -141.93 -68.09 -28.85 99.78 0.10 0.12 0.42 5.53 93.86 0.00 0.11 0.00 0.06 0.02 46 D C T 83.42 6.97 17.36 25.14 100.25 42.62 -85.34 -38.40 99.81 0.06 0.13 0.09 3.17 96.59 0.00 0.10 0.00 0.02 0.01 47 C C T 60.63 6.93 14.88 23.17 101.93 18.04 -107.48 -13.22 99.75 0.10 0.15 0.33 5.02 94.43 0.01 0.14 0.00 0.05 0.03 48 G C C 45.76 5.25 15.04 21.92 95.06 -123.91 79.89 6.63 99.31 0.61 0.08 82.76 14.28 2.22 0.02 0.07 0.00 0.29 0.37 49 I C C 79.24 6.20 15.74 23.58 117.26 141.39 -78.29 141.28 96.05 3.91 0.04 85.15 11.06 0.19 0.01 0.03 0.00 2.39 1.16 50 K E B 127.80 5.57 18.42 25.40 114.21 -110.05 -73.96 137.07 5.79 94.16 0.05 4.05 0.21 0.01 0.06 0.00 0.00 9.10 86.57 51 L C C 16.86 22.04 10.19 31.55 110.20 -135.75 -92.81 116.19 94.87 4.98 0.15 93.80 1.33 0.26 0.02 0.12 0.00 3.72 0.75 52 P C T 91.76 4.19 19.09 24.13 111.49 -128.00 -65.55 139.29 95.53 3.49 0.98 12.76 12.47 70.12 0.09 1.11 0.00 2.75 0.70 53 G C T 55.27 3.24 18.39 21.60 95.94 19.05 83.90 -1.79 97.15 2.12 0.74 9.13 13.52 74.19 0.06 0.92 0.00 1.85 0.33 54 V C C 25.16 19.78 10.51 29.81 115.75 118.66 -95.81 125.51 92.04 7.70 0.26 61.87 30.33 0.59 0.07 0.21 0.00 4.04 2.89 55 P C C 69.31 5.61 21.45 27.33 115.94 -116.98 -69.57 147.90 88.68 10.79 0.53 84.85 3.05 0.87 0.15 0.37 0.00 5.81 4.90 56 A C C 51.32 14.03 15.45 29.24 114.79 -113.91 -77.44 138.36 90.80 8.44 0.76 61.94 26.59 2.38 0.24 0.56 0.00 3.89 4.39 57 L C C 40.42 15.12 12.66 28.23 120.98 -145.15 -102.75 143.98 90.16 9.26 0.58 66.53 21.84 0.82 0.31 0.28 0.00 2.95 7.27 58 R C C 120.05 3.63 19.02 22.66 116.76 -112.74 -74.54 150.01 99.30 0.48 0.22 95.29 3.98 0.14 0.16 0.04 0.00 0.17 0.23 59 P H H 73.98 8.91 11.80 22.09 91.70 -110.83 -56.70 -39.42 9.90 0.08 90.02 1.51 1.16 6.55 75.75 14.92 0.02 0.05 0.03 60 R H H 162.46 1.37 15.50 16.51 91.82 53.02 -64.56 -35.90 6.62 0.07 93.32 0.82 0.62 4.59 77.60 16.29 0.02 0.04 0.01 61 E H H 89.10 5.25 14.79 21.32 92.79 49.85 -67.81 -38.02 4.24 0.08 95.68 0.89 0.51 2.55 80.02 15.94 0.01 0.06 0.01 62 Y H H 62.41 14.19 11.25 25.57 92.47 52.35 -66.09 -38.44 6.89 0.13 92.97 1.78 0.96 3.98 81.53 11.61 0.02 0.09 0.04 63 A H H 61.14 4.85 14.70 20.91 92.10 56.83 -67.20 -29.03 34.71 0.36 64.93 3.85 2.95 27.25 56.59 8.83 0.13 0.20 0.20 64 Q C T 124.02 2.08 15.91 17.93 95.48 53.49 -84.50 -9.53 54.97 0.50 44.53 8.05 6.08 40.15 37.34 7.73 0.08 0.24 0.33 65 L C C 65.46 12.23 9.82 22.30 105.57 94.32 -76.47 89.81 72.51 1.62 25.86 32.89 24.64 15.41 21.09 4.29 0.04 0.55 1.10 66 S C C 69.46 5.04 13.40 19.67 107.33 70.99 -86.05 58.40 81.44 1.73 16.84 51.52 15.24 14.30 12.30 4.70 0.00 0.75 1.19 67 K C C 123.66 4.62 12.38 18.52 113.85 75.38 -87.53 134.00 73.07 1.64 25.28 33.57 24.26 15.87 12.61 11.91 0.01 0.69 1.06 68 P C C 86.83 5.95 11.60 18.95 103.82 -102.25 -70.42 95.88 73.08 1.41 25.52 35.82 16.61 20.75 10.93 14.43 0.01 0.68 0.76 69 K C C 142.21 3.58 12.71 17.85 104.78 61.08 -86.05 35.34 70.26 3.83 25.90 40.40 15.76 14.30 11.01 14.75 0.02 2.00 1.76 70 K C C 113.45 7.34 12.76 21.34 112.44 105.22 -92.85 124.21 78.62 6.34 15.04 59.25 14.25 4.80 10.18 5.17 0.01 3.47 2.87 71 T C C 71.38 7.90 14.37 23.35 116.92 -145.17 -102.73 139.32 74.86 12.29 12.85 59.55 10.24 3.90 9.54 3.79 0.01 6.62 6.35 72 V C C 53.57 14.02 11.23 25.27 111.26 -139.21 -91.89 118.65 75.71 10.06 14.22 53.79 14.58 6.79 9.69 4.81 0.02 5.78 4.54 73 Q C C 128.55 3.46 16.27 20.69 101.36 156.96 -94.51 -5.53 79.40 8.34 12.25 53.79 17.88 7.22 7.89 4.47 0.02 4.46 4.28 74 R C C 112.29 6.28 13.73 21.48 122.57 83.58 -99.44 152.27 74.83 7.04 18.13 32.96 31.37 10.79 9.03 8.05 0.10 3.02 4.69 75 A C T 66.71 7.26 14.10 22.44 95.64 -105.28 -64.73 -29.09 76.29 1.26 22.45 6.33 13.64 55.66 7.17 15.62 0.03 0.72 0.83 76 Y C T 124.38 7.34 13.97 22.33 99.05 37.28 -93.54 12.28 76.94 1.95 21.11 6.47 13.41 56.36 6.00 15.43 0.03 1.15 1.15 77 G C T 34.13 9.43 13.79 23.96 106.90 -113.98 49.18 44.33 78.67 5.54 15.79 23.47 22.41 33.28 4.71 10.45 0.07 2.52 3.08 78 G C T 41.90 6.48 15.48 22.92 108.13 -9.07 80.67 -80.15 81.42 3.29 15.28 20.37 24.86 36.87 3.96 10.55 0.02 1.63 1.73 79 S C S 62.98 7.06 15.98 23.71 101.84 56.08 -84.30 -11.91 72.92 5.75 21.32 16.68 29.74 28.09 7.77 11.71 0.15 3.02 2.86 80 R C S 136.43 6.06 17.44 24.35 99.43 28.81 -77.80 -13.76 61.60 16.40 21.99 19.69 25.00 17.98 11.82 8.30 0.91 6.94 9.37 81 C C C 38.80 12.35 15.50 28.35 102.30 53.11 -93.66 -1.22 69.90 9.40 20.70 50.42 9.57 8.75 16.94 4.32 0.03 4.35 5.62 82 G H H 21.65 12.17 15.98 28.99 94.53 92.44 -62.65 -40.53 18.50 0.34 81.16 8.40 4.17 7.70 76.49 2.90 0.04 0.15 0.16 83 N H H 95.52 3.37 22.28 25.52 92.83 53.24 -66.80 -38.07 9.07 0.11 90.83 2.13 1.45 5.80 87.69 2.78 0.04 0.06 0.05 84 C H H 36.36 8.24 19.00 28.53 92.32 51.30 -65.42 -41.84 5.40 0.11 94.49 2.03 0.82 2.81 91.69 2.55 0.01 0.07 0.03 85 V H H 26.58 14.72 16.75 32.23 92.27 50.51 -64.64 -42.43 2.24 0.06 97.71 1.06 0.35 0.95 96.91 0.69 0.00 0.03 0.01 86 R H H 113.22 7.15 19.76 27.42 91.78 51.22 -63.22 -41.84 1.19 0.02 98.79 0.49 0.15 0.53 98.58 0.23 0.00 0.01 0.00 87 D H H 80.44 3.21 20.75 23.67 92.11 49.35 -65.23 -40.93 1.07 0.01 98.92 0.43 0.14 0.49 98.77 0.16 0.00 0.01 0.00 88 R H H 100.71 7.67 18.72 26.93 92.33 49.72 -65.79 -41.01 0.61 0.00 99.39 0.21 0.07 0.29 99.34 0.09 0.00 0.00 0.00 89 V H H 49.39 10.74 17.11 28.35 92.51 48.61 -65.16 -42.48 0.45 0.01 99.55 0.15 0.05 0.22 99.52 0.07 0.00 0.00 0.00 90 V H H 71.11 4.65 18.86 24.05 91.83 49.31 -64.04 -42.66 0.48 0.01 99.52 0.15 0.04 0.23 99.50 0.07 0.00 0.00 0.00 91 R H H 126.83 2.90 19.16 21.95 92.01 49.50 -64.93 -41.35 0.36 0.00 99.64 0.06 0.02 0.22 99.61 0.08 0.00 0.00 0.00 92 A H H 36.85 7.08 16.59 25.05 91.95 50.33 -64.28 -41.74 0.44 0.00 99.56 0.04 0.02 0.32 99.51 0.12 0.00 0.00 0.00 93 F H H 88.87 6.65 17.15 24.53 92.25 49.28 -65.30 -41.03 0.97 0.00 99.03 0.09 0.05 0.73 98.96 0.17 0.00 0.00 0.00 94 L H H 86.88 3.13 17.63 20.95 92.06 49.95 -64.90 -41.52 1.62 0.01 98.37 0.21 0.11 1.16 98.33 0.20 0.00 0.00 0.00 95 I H H 85.29 2.87 17.57 20.48 92.12 49.23 -64.79 -42.17 1.42 0.01 98.58 0.33 0.15 0.81 98.53 0.17 0.00 0.00 0.00 96 E H H 86.24 5.28 16.61 22.60 91.86 49.39 -64.79 -41.32 1.06 0.00 98.93 0.23 0.08 0.62 98.91 0.16 0.00 0.00 0.00 97 E H H 89.10 5.14 16.04 22.14 91.86 50.29 -64.98 -40.40 0.78 0.00 99.21 0.13 0.05 0.47 99.22 0.13 0.00 0.00 0.00 98 Q H H 96.57 2.71 16.94 19.75 91.98 51.19 -64.86 -40.60 0.52 0.00 99.47 0.07 0.03 0.31 99.50 0.09 0.00 0.00 0.00 99 K H H 111.77 2.40 17.31 19.45 92.17 50.36 -65.32 -40.96 0.78 0.00 99.22 0.10 0.04 0.51 99.26 0.09 0.00 0.00 0.00 100 I H H 74.02 4.40 15.94 21.22 92.10 49.25 -64.79 -42.20 0.50 0.00 99.50 0.09 0.03 0.30 99.52 0.06 0.00 0.00 0.00 101 V H H 71.84 3.63 15.84 20.19 91.83 49.55 -64.17 -42.28 0.27 0.00 99.73 0.06 0.02 0.13 99.75 0.04 0.00 0.00 0.00 102 K H H 114.11 2.11 16.90 18.68 91.83 50.07 -64.23 -41.08 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 103 K H H 111.91 2.25 16.77 18.78 91.82 49.77 -64.82 -41.31 0.25 0.00 99.75 0.03 0.01 0.15 99.78 0.03 0.00 0.00 0.00 104 V H H 69.46 3.53 15.34 19.58 91.81 49.63 -64.04 -42.39 0.25 0.00 99.75 0.03 0.01 0.14 99.77 0.03 0.00 0.00 0.00 105 L H H 87.42 2.49 15.57 18.28 91.66 49.71 -64.07 -41.64 0.34 0.00 99.66 0.05 0.02 0.19 99.70 0.04 0.00 0.00 0.00 106 K H H 119.69 1.71 15.84 17.05 91.73 50.05 -64.70 -41.04 0.50 0.00 99.50 0.07 0.03 0.28 99.56 0.06 0.00 0.00 0.00 107 E H H 103.16 2.08 15.40 17.37 91.98 49.48 -64.95 -40.64 0.63 0.00 99.37 0.10 0.04 0.36 99.42 0.08 0.00 0.00 0.00 108 Q H H 101.01 2.08 14.95 17.04 91.81 49.80 -65.03 -40.82 0.95 0.00 99.05 0.17 0.07 0.54 99.11 0.12 0.00 0.00 0.00 109 S H H 58.25 1.93 14.16 16.23 91.72 50.12 -64.43 -40.88 1.62 0.01 98.38 0.32 0.13 0.93 98.44 0.19 0.00 0.00 0.00 110 Q H H 103.41 1.58 14.12 15.39 91.93 50.58 -64.86 -40.91 2.13 0.01 97.86 0.46 0.20 1.22 97.78 0.33 0.00 0.00 0.00 111 A H H 59.96 1.76 12.76 14.81 91.79 50.71 -64.67 -40.36 3.82 0.02 96.16 0.88 0.40 2.23 95.91 0.55 0.00 0.01 0.01 112 E H H 115.31 1.51 11.83 13.59 92.28 50.34 -66.57 -38.85 7.25 0.05 92.71 1.82 0.90 4.23 92.10 0.90 0.01 0.02 0.02 113 K H H 138.87 1.29 10.49 12.17 93.03 51.94 -67.63 -35.56 15.09 0.11 84.81 3.59 1.95 9.27 83.50 1.58 0.02 0.04 0.05 114 S H H 86.53 1.06 9.34 10.76 93.97 54.30 -71.33 -27.71 34.51 0.26 65.23 8.16 4.34 22.14 63.02 2.07 0.03 0.10 0.15 115 K C H 158.24 1.06 8.82 10.43 97.44 59.00 -79.72 -9.79 61.77 0.35 37.89 31.94 1.80 26.27 37.95 1.69 0.00 0.14 0.20 116 K C C 151.94 1.88 9.90 13.08 103.71 93.17 -77.13 57.30 99.85 0.04 0.12 99.54 0.13 0.21 0.09 0.01 0.00 0.02 0.01