# 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 129.53 3.87 12.33 17.80 116.42 -149.30 -99.89 129.65 99.84 0.13 0.02 99.73 0.12 0.05 0.01 0.00 0.00 0.07 0.02 1 A C C 67.68 6.42 9.19 17.28 117.11 -155.69 -95.24 138.46 94.66 3.32 2.02 91.06 1.13 3.10 0.72 0.83 0.00 2.04 1.11 2 T C C 100.53 2.87 11.89 16.47 115.22 -156.27 -99.91 129.52 91.46 5.94 2.60 67.78 17.12 6.47 0.78 1.93 0.00 3.71 2.21 3 I C C 89.59 8.98 10.08 20.24 116.11 -149.49 -98.83 128.79 92.29 5.56 2.15 73.39 14.68 4.07 0.75 1.45 0.00 3.36 2.30 4 T C C 80.75 6.92 13.36 21.58 108.46 -166.82 -93.18 62.37 97.08 1.90 1.03 75.64 19.12 2.33 0.37 0.63 0.00 0.99 0.92 5 D C C 71.23 6.14 17.18 24.25 113.85 -11.54 -108.61 114.19 99.20 0.51 0.29 84.03 14.77 0.42 0.15 0.10 0.00 0.19 0.33 6 P H G 44.03 17.35 12.76 30.06 92.10 -143.38 -61.40 -26.36 21.98 0.34 77.68 4.01 2.67 14.79 10.66 67.54 0.00 0.23 0.09 7 R H G 118.40 10.21 18.27 28.80 91.70 65.85 -70.41 -16.89 18.89 0.44 80.66 2.39 2.27 13.93 12.21 68.77 0.00 0.33 0.09 8 D H G 68.04 8.78 20.48 29.80 94.81 62.52 -81.00 -9.69 16.94 1.49 81.57 5.65 3.70 8.68 11.32 69.22 0.01 1.22 0.18 9 I H E 21.21 20.55 17.33 37.29 101.23 63.20 -89.14 -13.27 35.81 27.17 37.01 16.89 11.80 11.13 15.13 19.54 0.54 22.00 2.98 10 I E E 24.95 20.60 18.27 38.60 112.67 94.24 -91.11 120.95 18.41 76.31 5.28 13.99 3.23 1.58 4.52 1.76 0.02 63.87 11.02 11 L E E 63.37 13.47 22.08 34.91 102.13 172.31 -93.99 -24.24 29.61 68.69 1.70 22.63 6.69 1.13 1.35 0.63 0.01 64.71 2.85 12 A E E 37.64 11.77 23.72 35.63 134.34 2.44 -144.79 144.65 41.31 58.48 0.20 27.64 13.86 0.53 0.07 0.12 0.00 57.04 0.74 13 P C C 40.92 17.25 20.30 36.66 114.97 -104.52 -68.31 145.90 54.63 45.16 0.21 49.17 4.05 0.44 0.07 0.14 0.00 44.92 1.22 14 V C C 25.22 18.95 18.17 37.08 111.34 -125.36 -87.11 120.34 60.91 38.68 0.41 56.65 2.96 0.41 0.26 0.20 0.00 27.78 11.72 15 I C C 69.26 12.98 18.90 31.84 107.64 174.41 -106.75 22.15 89.59 10.07 0.34 77.88 11.25 0.69 0.17 0.18 0.00 7.64 2.20 16 S C C 38.09 7.62 17.36 26.26 132.89 91.66 -127.33 170.63 93.18 3.52 3.30 46.26 45.51 1.81 2.78 0.64 0.00 1.22 1.78 17 E H H 143.13 2.41 15.97 19.52 90.60 -100.12 -60.47 -35.59 26.76 0.41 72.82 3.47 5.51 17.33 55.38 17.62 0.26 0.21 0.22 18 K H H 131.07 3.21 17.35 21.43 92.04 54.43 -66.49 -33.41 24.68 0.42 74.91 3.04 3.27 16.83 54.77 21.45 0.21 0.25 0.18 19 S H H 12.33 19.54 11.70 30.78 94.45 48.39 -75.57 -29.43 19.41 0.84 79.76 4.82 3.00 10.74 55.51 24.98 0.13 0.57 0.24 20 Y H H 108.01 8.91 16.48 26.28 93.93 72.22 -63.46 -38.80 20.52 1.05 78.44 6.32 3.66 11.04 62.20 15.53 0.22 0.68 0.35 21 G H H 38.49 2.69 19.32 21.70 92.58 52.75 -64.33 -36.02 31.32 1.37 67.31 5.89 4.46 20.90 54.96 12.02 0.36 0.92 0.47 22 L H H 36.06 13.02 14.30 28.22 93.54 55.16 -69.28 -35.16 25.98 3.00 71.03 11.12 4.93 11.45 56.04 13.21 0.24 2.24 0.77 23 I H H 55.61 15.87 12.63 27.83 93.46 57.93 -66.31 -40.10 20.68 2.57 76.75 9.14 3.65 8.69 58.52 17.23 0.16 2.02 0.59 24 E H H 144.23 1.69 17.20 18.76 92.96 55.11 -68.11 -27.50 27.83 2.27 69.90 6.73 4.46 16.46 50.85 18.71 0.42 1.64 0.74 25 D C T 94.17 3.24 16.29 20.08 95.91 50.09 -90.36 3.11 72.17 0.42 27.41 3.24 7.85 60.66 15.50 12.14 0.03 0.21 0.37 26 N C T 88.73 9.66 16.40 26.81 95.06 -113.01 62.48 34.53 98.98 0.25 0.78 6.71 6.71 85.74 0.17 0.45 0.00 0.18 0.05 27 V C C 33.75 14.03 17.76 32.74 122.31 142.09 -107.53 137.67 53.85 46.08 0.07 48.49 3.99 0.19 0.02 0.05 0.00 46.12 1.13 28 Y E E 28.64 18.86 20.92 39.64 117.06 -137.70 -95.73 131.93 10.91 89.07 0.02 10.53 0.32 0.03 0.01 0.01 0.00 88.88 0.23 29 T E E 19.82 17.88 24.15 41.58 125.83 -165.93 -120.24 138.32 2.38 97.62 0.00 2.33 0.04 0.00 0.00 0.00 0.00 97.59 0.03 30 F E E 8.34 23.43 22.25 45.30 126.90 -170.11 -123.27 138.47 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 31 V E E 33.77 13.98 26.89 41.17 116.12 -147.19 -105.53 125.18 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 32 V E E 5.77 24.08 17.68 41.96 129.41 -175.62 -125.12 147.55 2.49 97.51 0.00 2.45 0.05 0.00 0.00 0.00 0.00 97.21 0.29 33 H C C 62.79 9.15 23.06 32.99 112.62 -106.20 -71.01 139.63 94.52 5.47 0.01 94.63 0.41 0.02 0.00 0.01 0.00 4.80 0.13 34 P C T 54.73 14.99 15.53 30.75 91.13 -123.67 -61.02 -25.73 99.03 0.36 0.61 0.60 3.29 95.26 0.02 0.55 0.00 0.23 0.05 35 D C T 112.30 1.78 21.42 22.69 93.08 58.65 -88.82 0.26 99.26 0.17 0.58 0.65 2.94 95.71 0.02 0.56 0.00 0.11 0.02 36 S C C 11.56 20.89 9.94 30.61 117.00 123.09 -69.06 143.72 98.64 1.14 0.21 79.72 18.74 0.24 0.05 0.15 0.00 0.46 0.63 37 N C C 76.53 3.82 24.25 27.24 125.48 -141.00 -98.27 165.59 93.53 6.28 0.19 92.55 0.80 0.06 0.13 0.02 0.00 0.90 5.55 38 K H H 88.04 15.70 14.77 29.85 91.15 -102.37 -58.83 -37.51 2.02 0.00 97.97 0.20 0.22 1.40 97.99 0.19 0.00 0.00 0.00 39 T H H 86.80 2.55 22.58 24.47 91.68 53.36 -64.24 -40.52 1.12 0.00 98.88 0.08 0.08 0.89 98.76 0.20 0.00 0.00 0.00 40 Q H H 60.41 10.76 20.85 31.97 91.93 49.31 -65.59 -40.63 0.19 0.00 99.81 0.02 0.01 0.12 99.75 0.09 0.00 0.00 0.00 41 I H H 1.54 27.37 16.14 44.47 91.06 49.64 -63.61 -43.43 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 42 K H H 75.67 14.07 22.65 35.66 91.24 51.63 -61.96 -42.35 0.05 0.00 99.95 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 43 I H H 77.53 3.82 26.02 29.58 91.62 49.69 -63.99 -42.45 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 44 A H H 6.12 18.15 20.85 39.75 91.49 50.01 -63.55 -43.52 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 45 I H H 2.20 26.51 17.87 44.92 91.57 48.88 -64.37 -43.09 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 46 E H H 80.83 10.41 20.29 30.78 92.02 51.16 -64.05 -40.87 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 47 K H H 124.35 3.53 22.20 25.77 92.95 48.21 -68.26 -39.16 0.36 0.00 99.64 0.01 0.01 0.33 99.60 0.05 0.00 0.00 0.00 48 I H H 33.19 17.27 17.56 34.36 99.04 37.89 -83.75 -39.02 1.67 0.00 98.33 0.03 0.06 1.60 98.23 0.08 0.00 0.00 0.00 49 F H H 22.13 20.14 15.15 35.27 104.36 25.35 -111.64 -1.87 15.66 0.08 84.25 1.24 2.63 11.27 84.46 0.27 0.04 0.02 0.06 50 D C T 110.54 2.67 22.02 24.83 95.20 -123.93 57.36 41.98 99.60 0.17 0.23 29.76 14.58 55.33 0.09 0.10 0.00 0.11 0.04 51 V C C 16.64 20.61 11.92 32.48 129.17 134.76 -120.04 147.12 93.21 6.75 0.04 79.79 13.27 0.24 0.01 0.03 0.00 6.19 0.48 52 K C C 121.84 3.42 24.77 28.09 113.19 -130.73 -93.44 126.10 80.62 19.35 0.02 80.22 0.71 0.05 0.00 0.01 0.00 18.67 0.34 53 V E E 20.65 23.49 10.83 33.62 113.56 -140.17 -86.02 125.21 17.20 82.76 0.04 18.15 0.26 0.02 0.01 0.02 0.00 80.68 0.85 54 D E E 86.27 3.85 21.67 25.85 98.82 -174.69 -89.17 -33.27 18.71 81.23 0.06 10.36 8.38 0.29 0.00 0.05 0.00 80.81 0.12 55 S E E 47.11 5.49 23.43 29.79 142.15 0.18 -158.68 155.37 2.90 97.08 0.02 2.18 0.41 0.04 0.00 0.01 0.00 97.34 0.03 56 V E E 33.31 22.86 12.23 33.90 127.16 -164.69 -134.50 133.94 1.06 98.94 0.00 0.93 0.05 0.00 0.00 0.00 0.00 99.01 0.02 57 N E E 70.62 5.84 24.86 30.99 128.45 -176.57 -129.95 145.01 1.06 98.93 0.00 0.87 0.06 0.00 0.00 0.00 0.00 99.05 0.01 58 T E E 43.73 19.81 13.63 32.27 126.60 -162.30 -123.61 138.48 1.55 98.45 0.00 1.42 0.04 0.00 0.00 0.00 0.00 98.51 0.02 59 A E E 41.26 8.46 19.69 29.29 126.09 -170.50 -123.67 139.72 2.57 97.42 0.01 2.24 0.17 0.01 0.00 0.00 0.00 97.46 0.12 60 N E E 82.09 10.96 15.04 26.77 118.44 -150.37 -105.98 129.52 7.89 92.08 0.02 6.69 1.02 0.07 0.00 0.01 0.00 91.91 0.30 61 R E E 94.42 9.31 14.35 25.06 124.53 -172.31 -119.80 139.64 32.84 67.04 0.12 29.55 2.31 0.26 0.03 0.09 0.00 66.68 1.08 62 Q C C 130.12 2.63 16.62 20.29 112.34 -114.97 -78.65 137.45 58.33 41.35 0.32 47.36 7.74 1.66 0.05 0.28 0.00 42.07 0.84 63 G C E 27.64 12.48 9.71 22.20 125.58 -127.81 -91.74 168.38 54.54 45.20 0.27 42.92 9.16 2.12 0.04 0.26 0.00 44.60 0.91 64 K E E 130.64 2.77 15.70 19.43 122.60 -96.98 -109.33 145.46 23.36 76.45 0.19 20.88 1.86 0.32 0.07 0.12 0.00 74.53 2.23 65 R E E 142.73 6.46 10.14 18.58 116.30 -125.46 -88.40 134.35 15.87 84.02 0.12 14.55 0.99 0.17 0.04 0.06 0.00 83.05 1.14 66 K E E 108.04 4.46 10.88 17.43 123.38 -170.54 -119.86 141.69 13.18 86.70 0.12 11.06 1.72 0.36 0.04 0.08 0.00 86.15 0.59 67 R E E 176.01 1.79 9.46 13.04 114.47 -129.66 -89.42 128.55 18.39 81.47 0.14 15.41 2.24 0.40 0.05 0.10 0.00 80.39 1.41 68 T E E 66.19 4.19 7.54 13.89 129.23 174.16 -125.29 168.66 49.50 50.19 0.31 43.26 3.82 0.97 0.09 0.24 0.00 50.32 1.31 69 R C T 209.39 0.28 9.22 8.27 92.66 -89.53 -63.63 -28.08 98.52 0.96 0.52 14.84 32.30 51.41 0.06 0.47 0.00 0.78 0.13 70 T C T 117.69 0.68 8.66 9.29 99.89 41.30 -97.54 -0.53 98.62 0.88 0.50 12.35 31.73 54.52 0.05 0.51 0.00 0.71 0.13 71 G E E 36.55 2.21 12.36 15.65 134.98 -71.38 140.98 -175.00 43.73 56.08 0.19 29.97 13.17 2.09 0.03 0.20 0.00 53.27 1.26 72 F E E 144.55 3.67 9.63 15.44 120.96 -55.08 -102.06 142.92 23.15 76.78 0.06 19.97 2.03 0.37 0.01 0.05 0.00 76.59 0.97 73 G E E 32.02 4.65 12.98 19.49 136.52 160.36 -160.06 177.56 13.16 86.80 0.05 10.10 2.66 0.47 0.01 0.04 0.00 86.39 0.33 74 K E E 134.19 4.33 13.15 19.53 120.62 -83.03 -104.70 142.28 8.90 91.07 0.04 7.73 0.70 0.08 0.02 0.02 0.00 87.97 3.48 75 R E E 97.90 10.47 10.98 22.49 122.47 -154.61 -109.08 144.66 41.71 58.18 0.11 39.38 1.66 0.20 0.03 0.08 0.00 56.81 1.83 76 K C C 131.28 4.20 16.40 21.92 114.41 -114.74 -79.32 138.91 72.46 27.41 0.12 53.85 15.28 1.67 0.01 0.14 0.00 28.53 0.51 77 S C C 44.24 11.46 14.44 26.47 112.53 -120.65 -82.08 129.93 71.12 28.77 0.11 51.07 15.99 1.83 0.01 0.13 0.00 30.54 0.43 78 T E E 40.09 12.50 16.78 30.25 128.66 -171.06 -124.33 146.77 19.42 80.56 0.02 17.43 1.23 0.07 0.00 0.02 0.00 80.64 0.62 79 K E E 46.33 15.23 18.36 34.00 126.74 -159.58 -121.44 141.37 2.65 97.35 0.00 2.37 0.12 0.00 0.00 0.00 0.00 97.42 0.08 80 R E E 76.36 13.14 22.08 35.16 125.39 -155.90 -118.04 140.48 0.98 99.02 0.00 0.87 0.03 0.00 0.00 0.00 0.00 99.08 0.01 81 A E E 6.93 21.52 18.46 40.45 124.67 -163.42 -117.41 138.27 0.59 99.41 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.42 0.01 82 I E E 42.24 11.45 25.06 37.39 117.32 -153.92 -107.40 125.95 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 83 V E E 6.60 23.80 18.18 42.39 121.88 -168.15 -116.47 133.12 0.37 99.63 0.00 0.37 0.00 0.00 0.00 0.00 0.00 99.62 0.00 84 K E E 84.23 8.73 26.23 35.39 121.33 -159.76 -110.72 133.15 1.04 98.96 0.00 1.03 0.02 0.00 0.00 0.00 0.00 98.92 0.04 85 L E E 14.44 22.44 13.05 35.36 119.27 -139.10 -89.97 142.65 9.99 90.00 0.01 9.91 0.25 0.01 0.00 0.01 0.00 88.66 1.16 86 A C C 42.25 7.10 17.91 26.30 117.14 -110.95 -71.40 154.77 90.46 9.39 0.15 86.82 2.94 0.39 0.03 0.12 0.00 9.08 0.63 87 A C T 88.13 2.83 15.12 19.50 109.71 -86.54 -61.66 136.45 96.82 1.53 1.65 2.04 8.18 86.75 0.14 1.49 0.00 1.06 0.34 88 G C T 61.82 1.19 16.14 16.30 98.57 24.27 84.80 -4.13 97.43 1.14 1.42 4.11 7.80 85.37 0.10 1.53 0.00 0.90 0.19 89 S C C 37.30 15.99 9.66 24.80 117.67 130.69 -80.71 145.42 93.18 5.92 0.91 83.09 8.84 1.15 0.19 0.85 0.00 3.98 1.89 90 K C C 129.52 3.69 20.28 24.84 120.32 -147.02 -108.15 138.05 87.84 11.87 0.29 82.17 5.16 0.43 0.11 0.16 0.00 9.46 2.50 91 P C C 62.63 14.40 15.61 29.58 114.21 -108.56 -67.47 145.33 79.44 18.95 1.61 70.14 6.81 1.79 0.61 1.04 0.00 16.57 3.04 92 I C C 32.69 18.31 14.08 32.38 115.94 -127.82 -96.37 129.75 74.37 21.64 3.99 61.95 9.02 2.60 1.78 2.46 0.01 15.22 6.97 93 D C C 87.06 5.91 21.20 27.84 108.64 -141.52 -90.70 112.50 81.67 14.06 4.27 74.87 4.17 2.43 1.42 2.73 0.00 10.96 3.41 94 L C T 46.08 18.06 13.89 31.12 99.15 -175.11 -85.83 -18.90 83.17 7.05 9.78 32.54 18.72 32.83 1.87 7.57 0.02 4.31 2.16 95 F C T 94.56 11.65 14.64 26.32 100.32 46.37 -88.83 10.44 87.35 4.58 8.07 15.78 20.22 51.37 1.42 6.66 0.01 2.90 1.65 96 G C C 53.60 3.43 15.03 19.62 99.55 -84.04 82.91 7.27 91.11 3.86 5.03 32.43 29.74 29.04 0.61 4.73 0.00 2.19 1.25 97 A C C 48.20 8.76 10.15 20.44 119.20 135.29 -86.00 146.09 92.69 6.58 0.73 61.57 28.99 2.39 0.20 0.56 0.00 3.87 2.42 98 P C C 104.37 2.39 13.95 17.46 111.70 -103.12 -68.06 143.74 91.15 8.16 0.68 87.81 1.66 2.04 0.22 0.34 0.00 4.08 3.85 99 A C C 63.46 10.66 11.35 22.23 110.58 -108.43 -75.19 139.18 99.78 0.21 0.01 99.67 0.13 0.05 0.00 0.00 0.00 0.12 0.02