# 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 N C C 110.55 3.85 13.42 18.59 108.23 105.01 -88.09 81.41 99.96 0.04 0.01 99.85 0.09 0.03 0.00 0.00 0.00 0.02 0.00 1 D C C 101.00 4.11 11.64 17.39 109.47 127.34 -92.80 104.10 96.33 2.64 1.03 91.00 1.32 4.29 0.25 0.53 0.00 2.10 0.50 2 R C C 130.42 7.25 10.68 19.45 118.00 -156.85 -96.78 137.05 84.77 14.02 1.21 61.65 15.64 6.35 0.17 1.26 0.00 14.05 0.88 3 K C C 102.02 7.71 14.88 23.82 119.51 -151.45 -102.10 137.17 57.27 41.99 0.74 47.23 7.43 1.62 0.12 0.66 0.00 42.00 0.94 4 V E E 68.27 10.91 16.26 27.93 120.86 -148.75 -107.55 133.18 25.92 73.95 0.12 22.97 2.27 0.22 0.03 0.09 0.00 73.80 0.62 5 Y E E 41.76 16.42 16.25 33.12 125.74 -170.42 -119.33 142.45 9.34 90.63 0.04 8.40 0.66 0.07 0.01 0.02 0.00 90.57 0.27 6 V E E 68.06 9.15 22.97 32.60 122.29 -153.83 -114.46 134.85 5.30 94.68 0.02 4.64 0.37 0.04 0.00 0.01 0.00 94.83 0.10 7 G E E 8.59 19.10 17.03 35.95 142.00 154.87 -153.89 165.52 3.37 96.62 0.01 2.56 0.49 0.05 0.00 0.01 0.00 96.85 0.04 8 K E E 98.71 6.18 24.76 31.73 125.91 -106.03 -119.69 141.89 1.68 98.32 0.01 1.41 0.11 0.01 0.00 0.00 0.00 98.43 0.04 9 V E E 27.79 20.83 13.41 34.17 110.16 -115.69 -76.75 126.29 2.03 97.96 0.02 1.84 0.08 0.01 0.01 0.01 0.00 97.97 0.08 10 V E E 70.00 6.57 20.52 27.97 102.32 176.34 -101.36 -25.10 7.74 92.15 0.11 6.02 1.48 0.21 0.02 0.08 0.00 91.98 0.22 11 S E E 51.32 6.81 19.10 26.88 137.01 1.18 -150.47 151.65 24.80 74.89 0.31 16.66 7.22 1.12 0.06 0.22 0.00 74.33 0.40 12 D C C 69.38 12.42 12.53 25.04 117.95 -166.78 -123.52 117.68 59.05 40.12 0.82 44.09 10.94 2.63 0.14 0.69 0.00 40.90 0.61 13 K C S 136.74 3.75 15.00 19.75 103.94 152.38 -93.19 2.72 69.02 29.07 1.91 26.39 31.36 12.50 0.26 1.73 0.01 26.31 1.43 14 M C C 94.47 6.05 12.01 19.55 119.78 92.54 -109.76 148.25 69.67 27.19 3.14 27.43 26.92 17.02 0.57 2.67 0.03 20.00 5.35 15 D C T 117.18 2.24 15.52 18.27 96.93 -84.44 -65.18 -20.72 98.29 0.60 1.11 4.58 37.28 56.54 0.09 0.97 0.00 0.38 0.16 16 K C T 110.09 8.77 14.96 24.14 100.40 9.59 -104.88 5.51 98.25 1.05 0.69 2.96 39.07 56.39 0.03 0.61 0.00 0.80 0.13 17 T E E 34.08 11.01 17.50 30.08 131.36 67.75 -131.84 147.08 19.79 80.12 0.09 14.44 4.92 0.60 0.02 0.08 0.00 79.13 0.81 18 I E E 12.19 19.66 16.77 37.27 122.71 -157.24 -117.36 135.59 3.90 96.09 0.00 3.51 0.12 0.01 0.00 0.00 0.00 96.31 0.05 19 T E E 27.01 10.59 24.44 36.43 119.02 -153.65 -110.05 131.05 0.45 99.55 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 20 V E E 6.13 22.85 17.53 40.99 120.36 -164.73 -114.81 129.72 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 21 L E E 40.76 9.52 24.10 34.85 116.96 -154.12 -104.85 128.26 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 22 V E E 12.45 19.74 16.13 36.42 123.32 -169.78 -119.23 134.09 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 23 E E E 74.60 8.54 20.78 30.10 118.32 -147.07 -101.86 132.00 1.48 98.52 0.00 1.29 0.05 0.00 0.00 0.00 0.00 98.64 0.01 24 T E E 28.70 13.29 15.17 29.79 129.97 177.77 -128.91 149.81 2.80 97.20 0.01 2.44 0.12 0.01 0.00 0.00 0.00 97.40 0.03 25 Y E E 109.43 8.23 15.83 25.38 119.15 -137.87 -107.18 132.63 2.51 97.47 0.02 2.12 0.18 0.02 0.00 0.01 0.00 97.63 0.05 26 K E E 87.60 7.47 15.08 24.11 128.09 -172.04 -126.84 146.78 2.27 97.71 0.02 1.88 0.17 0.03 0.01 0.01 0.00 97.86 0.05 27 T E E 81.03 4.83 13.06 19.65 115.08 -120.25 -87.62 131.33 3.14 96.81 0.05 2.76 0.25 0.04 0.03 0.02 0.00 96.49 0.41 28 H E E 54.22 9.74 7.89 19.39 110.40 -139.61 -90.50 118.93 37.15 62.68 0.17 35.57 1.11 0.28 0.06 0.09 0.00 61.97 0.92 29 K C T 166.84 0.86 11.47 12.34 93.56 -150.53 -66.15 -28.87 96.96 0.47 2.57 0.55 2.89 93.77 0.12 2.23 0.00 0.33 0.10 30 L C T 131.26 1.15 10.58 12.03 97.10 49.01 -73.87 -38.34 97.18 0.22 2.60 0.30 2.31 94.90 0.10 2.18 0.00 0.12 0.08 31 Y C T 136.94 2.81 9.94 14.06 101.14 24.71 -104.65 -10.44 97.92 0.21 1.88 0.47 2.20 95.52 0.09 1.54 0.00 0.12 0.05 32 G C T 53.65 2.25 10.99 14.67 95.85 -123.72 72.73 11.59 98.41 1.24 0.35 39.50 5.62 53.20 0.07 0.23 0.00 1.24 0.12 33 K C C 110.66 3.10 11.58 16.51 122.73 127.42 -100.75 150.22 55.87 44.09 0.04 51.48 2.27 0.21 0.01 0.03 0.00 45.68 0.32 34 R E E 141.49 5.78 11.51 19.35 117.18 -123.50 -93.88 134.14 1.26 98.74 0.00 1.11 0.05 0.00 0.00 0.00 0.00 98.76 0.07 35 V E E 50.28 9.26 12.32 23.62 125.35 -172.80 -122.30 142.53 0.42 99.58 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 36 K E E 123.93 6.05 14.29 22.35 119.45 -140.89 -103.06 133.70 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 37 Y E E 78.36 9.95 13.55 25.18 129.46 -176.88 -132.06 148.37 0.44 99.56 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 38 S E E 60.76 8.56 14.57 24.60 124.64 -154.29 -118.59 142.33 1.95 98.05 0.00 1.72 0.05 0.00 0.00 0.00 0.00 98.22 0.01 39 K E E 80.37 10.07 15.63 26.84 131.58 -174.23 -136.34 146.53 2.45 97.55 0.00 2.23 0.10 0.01 0.00 0.00 0.00 97.62 0.03 40 K E E 115.12 7.24 18.15 26.75 118.77 -133.67 -100.43 133.33 4.53 95.46 0.00 4.17 0.26 0.01 0.00 0.00 0.00 95.47 0.08 41 Y E E 31.17 18.48 15.02 33.75 129.49 -173.33 -127.07 146.54 7.57 92.42 0.01 7.20 0.30 0.02 0.00 0.00 0.00 92.20 0.27 42 K E E 92.14 8.83 23.43 32.86 121.45 -147.94 -107.15 138.74 11.88 88.11 0.01 11.51 0.50 0.03 0.00 0.01 0.00 87.41 0.53 43 T E E 10.80 22.62 16.40 38.93 131.61 -173.06 -130.71 148.25 24.57 75.39 0.04 23.52 0.94 0.09 0.01 0.03 0.00 74.36 1.05 44 H E E 72.57 9.23 23.32 33.15 121.79 -142.61 -115.02 132.49 28.35 71.55 0.10 25.77 1.78 0.18 0.04 0.07 0.00 64.77 7.38 45 D C C 22.22 19.14 13.01 31.82 111.15 -165.57 -116.07 105.92 85.71 14.10 0.19 83.49 2.04 0.40 0.04 0.13 0.00 12.39 1.50 46 E C T 129.31 3.70 17.31 22.32 94.68 -167.59 -69.19 -26.02 96.10 1.39 2.51 25.62 18.65 51.21 0.19 2.98 0.00 0.96 0.39 47 N C T 109.67 2.32 17.65 19.83 96.71 40.78 -93.53 4.98 96.55 0.66 2.79 5.09 31.99 59.20 0.14 2.96 0.00 0.38 0.25 48 N C S 81.64 12.04 13.38 25.90 93.88 -121.22 63.11 32.48 96.18 1.96 1.85 26.38 59.46 10.05 0.17 2.00 0.00 1.11 0.82 49 S C C 63.36 4.90 21.83 27.09 99.97 123.81 -96.11 4.93 94.77 4.77 0.46 86.49 5.90 2.15 0.13 0.39 0.00 2.20 2.75 50 A C C 8.81 24.06 10.58 33.77 124.78 116.25 -101.89 146.71 94.17 5.66 0.17 92.61 2.15 0.33 0.05 0.11 0.00 2.48 2.27 51 K C C 118.82 2.84 24.79 27.80 131.13 -164.64 -125.85 154.61 94.44 5.46 0.09 93.78 1.33 0.22 0.03 0.05 0.00 1.91 2.68 52 L C T 91.76 11.24 15.86 27.59 110.57 -82.01 -59.15 134.82 99.41 0.47 0.13 0.24 1.85 97.52 0.00 0.07 0.00 0.21 0.09 53 G C T 37.98 5.19 20.31 26.62 96.93 26.61 89.90 -7.42 99.89 0.07 0.04 0.34 1.88 97.70 0.00 0.03 0.00 0.04 0.00 54 D C C 28.73 14.61 16.91 32.79 117.82 133.54 -70.52 146.37 97.40 2.60 0.00 96.21 1.41 0.01 0.00 0.00 0.00 2.31 0.06 55 I E E 55.60 10.28 24.27 35.38 115.96 -128.65 -97.10 130.51 0.53 99.47 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.35 0.10 56 V E E 3.51 25.78 16.49 42.97 130.45 -174.60 -127.52 150.72 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 57 K E E 66.29 9.27 26.92 37.17 118.90 -133.03 -101.89 132.98 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 58 I E E 9.69 24.45 16.69 41.36 119.35 -155.13 -107.23 130.58 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 59 Q E E 58.16 9.13 23.87 33.45 131.74 -175.04 -128.52 152.48 0.78 99.22 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.29 0.01 60 E E E 90.05 11.45 18.50 30.01 114.81 -112.36 -79.12 137.55 3.42 96.57 0.01 3.01 0.23 0.02 0.00 0.00 0.00 96.64 0.08 61 T E E 33.69 14.17 13.21 27.99 131.93 -176.38 -129.15 155.82 37.07 62.86 0.07 33.52 2.55 0.17 0.01 0.05 0.00 63.04 0.66 62 R C C 162.07 2.22 17.27 19.82 114.47 -106.79 -89.30 135.57 67.94 31.87 0.19 51.36 15.15 0.90 0.03 0.18 0.00 31.54 0.83 63 P C C 64.45 11.24 9.09 20.81 112.44 -108.46 -68.09 141.02 79.00 20.10 0.90 67.79 8.27 2.45 0.21 0.74 0.00 18.61 1.93 64 L C S 124.64 2.10 12.13 15.34 98.28 -158.04 -81.74 -28.55 90.63 8.33 1.03 26.17 54.28 10.58 0.17 0.92 0.00 6.13 1.75 65 S C S 57.75 2.44 13.42 16.48 135.18 5.34 -148.13 166.71 89.11 9.57 1.32 21.17 56.11 12.16 0.22 1.16 0.00 5.62 3.56 66 A C S 93.77 1.99 11.15 14.53 92.27 -99.33 -66.35 -23.42 97.29 0.65 2.06 3.41 56.82 37.35 0.18 1.64 0.00 0.35 0.25 67 T C S 96.97 2.53 13.96 17.08 98.68 50.94 -93.22 -10.76 96.05 2.35 1.60 4.94 55.61 35.89 0.13 1.33 0.00 1.67 0.43 68 K C C 71.46 11.23 13.42 25.63 118.98 55.03 -110.29 126.79 61.55 37.54 0.92 46.41 11.71 3.29 0.18 0.85 0.00 34.44 3.11 69 R E E 73.21 11.62 18.41 30.84 128.53 114.47 -124.56 146.15 40.48 59.44 0.08 34.98 4.15 0.36 0.02 0.07 0.00 59.48 0.94 70 F E E 20.50 20.64 16.71 37.47 125.93 -152.70 -120.12 141.81 11.51 88.48 0.01 10.27 0.69 0.04 0.00 0.01 0.00 88.84 0.16 71 R E E 84.03 9.15 25.06 34.75 123.77 -157.41 -121.21 136.54 0.68 99.32 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.34 0.02 72 L E E 22.56 21.04 14.77 36.15 109.83 -117.05 -74.84 125.75 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 73 V E E 64.66 7.55 20.62 29.18 101.64 176.15 -98.67 -31.73 0.72 99.28 0.00 0.51 0.09 0.00 0.00 0.00 0.00 99.39 0.00 74 E E E 91.22 4.15 23.70 28.28 138.47 -1.43 -152.32 150.78 0.35 99.65 0.00 0.28 0.02 0.00 0.00 0.00 0.00 99.69 0.00 75 I E E 57.63 17.52 13.29 30.26 112.26 -132.08 -92.80 122.02 0.64 99.36 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.35 0.01 76 V E E 62.74 8.04 16.52 25.95 102.85 -168.32 -95.30 -28.07 7.87 92.11 0.02 6.54 0.99 0.05 0.00 0.01 0.00 92.29 0.12 77 E E E 107.98 5.33 15.82 22.60 129.59 1.16 -139.80 143.92 17.76 82.14 0.09 14.51 2.73 0.33 0.02 0.07 0.00 81.92 0.43 78 E C C 123.03 6.47 11.17 19.61 117.19 -137.03 -98.77 134.93 65.92 33.94 0.15 62.92 1.06 0.42 0.02 0.10 0.00 34.90 0.57 79 S C C 73.34 5.02 13.04 19.44 112.52 -131.75 -88.52 137.68 99.86 0.14 0.01 99.76 0.10 0.04 0.00 0.00 0.00 0.09 0.01