# 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 S C C 69.35 5.46 15.04 21.76 119.75 -159.44 -110.33 137.22 99.54 0.45 0.01 99.58 0.06 0.02 0.00 0.00 0.00 0.32 0.02 1 L C C 102.17 6.64 12.43 20.67 115.81 -144.65 -97.00 128.96 69.82 28.65 1.53 66.88 1.38 1.22 0.62 0.59 0.00 27.89 1.43 2 K E E 102.26 9.87 12.11 22.85 121.21 -168.59 -111.86 136.06 48.93 48.96 2.10 40.55 5.76 2.02 0.79 1.06 0.00 48.82 1.01 3 S E E 54.91 7.49 17.17 25.79 125.27 -158.05 -117.54 144.98 33.15 65.32 1.53 28.26 3.15 1.02 0.51 0.72 0.00 65.66 0.68 4 I E E 65.14 15.48 13.94 29.24 126.30 -164.21 -124.31 139.09 19.23 79.89 0.88 17.26 1.45 0.39 0.41 0.33 0.00 79.58 0.58 5 I E E 77.92 8.64 18.80 28.40 123.73 -166.28 -119.14 135.73 10.87 88.49 0.65 10.07 0.73 0.25 0.35 0.25 0.00 87.58 0.78 6 R E E 117.60 9.84 16.57 27.12 114.62 -130.01 -85.37 132.31 19.23 79.86 0.90 18.03 1.06 0.34 0.45 0.37 0.00 78.42 1.33 7 Q C C 62.92 14.11 12.03 26.09 110.51 -145.16 -86.57 123.85 70.11 26.95 2.94 61.95 4.72 1.99 1.06 1.66 0.00 27.41 1.21 8 G C C 46.89 4.29 15.81 21.02 113.96 -125.24 -84.94 -129.63 87.03 7.32 5.65 51.39 25.15 10.76 2.02 3.56 0.00 6.06 1.05 9 K C C 146.15 3.43 14.12 18.83 107.32 -49.77 -87.73 89.06 85.69 3.81 10.49 38.69 31.67 16.13 4.33 5.67 0.01 2.20 1.30 10 Q C C 98.06 7.90 11.92 21.03 114.19 106.91 -92.30 128.63 85.41 2.66 11.93 44.04 29.64 12.19 6.73 4.91 0.00 1.33 1.17 11 T C C 75.57 6.27 13.88 21.36 113.65 -136.81 -86.59 135.96 84.23 1.71 14.07 54.88 17.86 11.27 9.89 4.43 0.00 0.82 0.85 12 R C H 127.93 8.49 12.78 22.15 100.34 -136.64 -74.73 -17.87 60.30 0.86 38.84 34.81 15.93 9.33 35.38 3.77 0.01 0.32 0.44 13 S H H 68.76 2.79 16.73 19.55 95.78 68.20 -68.72 -39.38 32.99 0.46 66.55 13.59 9.22 11.34 60.67 4.72 0.03 0.20 0.23 14 D H H 69.40 7.12 18.04 25.81 94.44 49.72 -68.39 -36.82 21.14 0.44 78.42 9.69 4.35 8.12 73.28 4.12 0.03 0.23 0.18 15 L H H 16.58 20.81 13.02 33.16 92.89 53.02 -65.94 -40.58 12.66 0.30 87.03 7.13 2.27 4.19 83.25 2.88 0.01 0.17 0.10 16 K H H 97.15 6.05 19.37 26.15 91.82 53.12 -63.51 -40.95 7.05 0.22 92.73 4.17 1.38 2.29 90.43 1.54 0.01 0.12 0.07 17 Q H H 96.78 2.35 21.35 22.51 91.94 50.58 -64.49 -41.38 5.05 0.27 94.68 2.62 0.98 2.01 92.67 1.46 0.02 0.17 0.08 18 L H H 18.55 16.13 14.94 31.83 92.34 50.17 -65.24 -42.18 4.16 0.41 95.43 2.02 0.71 1.88 93.19 1.79 0.02 0.29 0.09 19 R H H 76.28 15.82 14.41 29.58 92.05 51.74 -63.47 -41.03 4.01 0.34 95.65 1.41 0.51 2.19 92.82 2.71 0.02 0.26 0.07 20 K H H 159.89 1.26 18.29 18.90 91.07 52.72 -66.55 -27.81 13.92 0.47 85.62 1.49 1.14 11.39 82.21 3.16 0.15 0.30 0.16 21 S C T 70.46 3.20 17.42 20.95 92.48 53.44 -86.18 -4.08 79.83 0.06 20.11 0.65 1.61 77.32 18.58 1.77 0.00 0.02 0.05 22 G C T 28.84 10.17 16.04 27.32 96.27 -106.42 85.30 8.81 99.78 0.11 0.11 1.64 3.01 95.19 0.03 0.04 0.00 0.07 0.01 23 K E E 71.85 11.75 20.48 32.46 126.87 125.81 -102.42 149.37 47.66 52.33 0.01 44.46 2.08 0.06 0.00 0.01 0.00 52.58 0.80 24 V E E 8.54 23.00 19.23 42.45 116.43 -140.86 -107.80 124.91 4.58 95.41 0.00 4.46 0.12 0.00 0.00 0.00 0.00 95.29 0.13 25 P E E 24.96 14.73 25.84 40.98 115.84 -126.36 -71.08 143.76 2.60 97.40 0.00 2.52 0.05 0.00 0.00 0.00 0.00 97.40 0.03 26 A E E 3.58 24.50 19.58 44.05 137.41 170.21 -142.02 158.63 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 27 V E E 30.74 13.11 26.06 39.88 118.83 -132.46 -108.82 129.18 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 28 V E E 7.89 22.89 19.13 42.24 117.99 -159.95 -108.26 126.20 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 29 Y E E 74.84 11.02 21.34 32.88 122.80 -172.29 -118.64 136.23 6.68 93.30 0.02 5.62 0.56 0.05 0.01 0.01 0.00 93.63 0.12 30 G C C 19.36 11.66 15.84 28.36 138.04 137.44 -145.22 172.75 64.92 34.93 0.15 50.49 12.45 0.98 0.02 0.15 0.00 34.97 0.93 31 Y C T 163.93 4.11 13.73 19.35 107.97 -52.15 -66.52 125.24 94.79 3.61 1.59 5.10 29.63 60.32 0.11 1.56 0.00 2.59 0.69 32 G C T 67.97 0.48 14.28 12.72 96.46 5.38 80.22 -0.62 97.83 0.86 1.31 4.28 30.45 63.07 0.07 1.37 0.00 0.58 0.20 33 T C S 69.04 6.65 10.03 18.57 128.10 89.03 -121.35 157.69 84.90 13.74 1.36 24.66 53.75 6.82 0.22 1.18 0.00 10.65 2.72 34 K C C 151.35 1.74 16.94 18.65 114.19 -99.17 -77.75 141.01 79.11 20.50 0.38 67.40 8.77 1.54 0.08 0.33 0.00 21.02 0.86 35 N C C 77.64 14.32 11.53 25.26 115.91 -112.91 -80.86 137.87 60.89 38.93 0.18 53.39 5.31 0.63 0.03 0.16 0.00 39.83 0.65 36 V E E 51.33 10.62 19.05 30.69 123.10 -166.90 -121.19 133.48 9.05 90.92 0.04 7.81 0.96 0.08 0.01 0.02 0.00 90.59 0.53 37 S E E 46.59 12.06 20.39 32.57 117.29 -124.71 -76.92 141.72 4.06 95.94 0.01 3.49 0.26 0.01 0.00 0.00 0.00 96.16 0.07 38 V E E 9.61 22.38 17.88 40.53 125.30 -165.04 -121.65 138.61 1.33 98.66 0.00 1.23 0.04 0.00 0.00 0.00 0.00 98.70 0.02 39 K E E 77.10 12.39 24.49 36.94 124.19 -156.97 -115.78 137.67 0.59 99.41 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.42 0.03 40 V E E 7.43 22.99 16.92 40.13 132.19 -178.05 -134.04 149.89 2.97 97.02 0.00 2.85 0.07 0.00 0.00 0.00 0.00 96.93 0.14 41 D E E 60.78 6.43 24.53 31.34 113.39 -107.10 -71.15 141.05 31.02 68.96 0.02 31.17 0.31 0.01 0.01 0.00 0.00 68.18 0.32 42 E H H 57.08 17.68 15.06 32.40 91.77 -124.32 -58.43 -37.81 1.04 0.00 98.96 0.16 0.09 0.63 98.62 0.51 0.00 0.00 0.00 43 V H H 90.67 2.66 22.78 24.74 91.57 54.55 -63.57 -40.12 0.24 0.00 99.76 0.02 0.01 0.17 99.28 0.52 0.00 0.00 0.00 44 E H H 60.80 10.13 20.28 31.09 91.87 49.50 -66.04 -40.41 0.13 0.00 99.87 0.01 0.00 0.09 99.25 0.64 0.00 0.00 0.00 45 F H H 3.67 26.17 15.50 42.10 91.40 50.74 -63.79 -43.60 0.15 0.00 99.85 0.01 0.01 0.10 99.73 0.15 0.00 0.00 0.00 46 I H H 54.10 11.92 20.55 32.76 91.40 51.15 -63.08 -42.16 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 47 K H H 108.25 2.50 23.69 24.91 91.66 50.85 -64.10 -41.81 0.31 0.00 99.69 0.03 0.01 0.19 99.72 0.04 0.00 0.00 0.00 48 V H H 16.19 15.97 18.08 34.82 91.89 50.09 -64.42 -42.94 0.59 0.01 99.41 0.07 0.04 0.36 99.44 0.09 0.00 0.00 0.00 49 I H H 20.71 21.42 15.34 36.08 92.07 49.59 -64.85 -40.59 0.99 0.01 99.00 0.18 0.08 0.56 98.94 0.22 0.00 0.00 0.00 50 R H H 151.23 3.41 19.13 23.41 92.72 48.78 -67.37 -37.73 3.04 0.02 96.94 0.38 0.19 2.25 96.66 0.51 0.00 0.01 0.00 51 E H H 122.17 2.51 19.51 21.79 97.46 39.28 -80.38 -37.52 6.39 0.03 93.58 0.44 0.49 5.19 93.35 0.49 0.01 0.01 0.01 52 V H H 45.67 12.82 15.01 28.29 102.22 29.47 -99.83 -22.73 20.67 0.26 79.08 3.07 4.87 13.09 77.98 0.70 0.06 0.07 0.16 53 G C C 23.30 10.71 17.62 29.00 121.78 -131.87 84.80 -170.44 89.93 1.08 8.99 67.55 5.86 16.84 3.05 5.58 0.00 0.69 0.43 54 R C T 127.44 10.63 16.50 27.12 97.57 -52.69 -73.48 -13.48 85.07 4.00 10.93 12.80 21.46 51.04 2.22 8.47 0.03 2.43 1.53 55 N C T 106.64 4.02 20.26 24.73 100.47 38.01 -94.33 12.06 87.22 5.65 7.14 17.43 21.34 48.64 0.77 6.48 0.01 4.57 0.78 56 G C S 16.78 12.78 16.21 29.71 128.54 107.14 -95.05 169.91 79.11 20.51 0.38 37.72 39.55 1.91 0.04 0.34 0.00 19.77 0.67 57 V E E 62.97 10.14 21.75 32.29 119.87 -113.31 -108.78 132.28 11.60 88.37 0.02 10.80 0.52 0.03 0.01 0.01 0.00 88.39 0.23 58 I E E 14.01 22.01 16.28 38.26 122.66 -166.09 -117.18 134.54 0.54 99.45 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.45 0.02 59 E E E 88.93 7.77 24.35 32.48 115.11 -146.45 -99.35 126.02 0.28 99.72 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 60 L E E 11.42 22.61 14.06 36.64 124.36 -172.83 -119.93 139.67 1.09 98.91 0.00 0.94 0.05 0.00 0.00 0.00 0.00 98.99 0.01 61 G E E 30.37 6.58 20.65 28.02 117.40 -148.38 -103.09 132.79 5.58 94.39 0.02 4.61 0.45 0.05 0.00 0.01 0.00 94.81 0.06 62 V E E 31.13 17.36 11.01 27.86 115.02 -175.88 -127.61 108.03 12.46 87.36 0.18 7.90 3.87 1.08 0.04 0.16 0.00 86.10 0.86 63 G C T 56.59 2.24 14.26 17.13 103.07 -42.75 61.64 -104.34 98.87 0.61 0.52 1.14 11.05 86.68 0.02 0.56 0.00 0.48 0.08 64 S C T 105.22 0.47 12.89 11.87 96.29 -24.25 -82.35 1.88 99.28 0.28 0.44 1.45 11.82 85.93 0.02 0.52 0.00 0.22 0.04 65 K E E 120.85 3.33 12.68 17.96 123.86 92.46 -108.99 144.29 14.81 85.13 0.06 9.76 4.76 0.54 0.01 0.05 0.00 84.52 0.37 66 T E E 85.35 6.73 13.42 22.16 118.28 -140.16 -101.33 131.61 6.28 93.71 0.00 5.38 0.27 0.01 0.00 0.00 0.00 94.29 0.05 67 I E E 34.81 14.82 14.56 30.46 127.27 -174.04 -125.93 141.61 1.09 98.91 0.00 0.95 0.03 0.00 0.00 0.00 0.00 99.01 0.01 68 K E E 105.59 6.87 23.34 30.66 114.38 -127.98 -86.46 130.83 0.57 99.43 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.49 0.00 69 V E E 4.46 24.44 15.90 40.92 134.49 176.38 -136.93 154.32 0.58 99.42 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.01 70 M E E 44.75 10.20 26.22 37.68 117.32 -130.30 -102.57 130.65 0.52 99.48 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 71 V E E 6.75 24.40 16.23 41.52 109.84 -123.25 -75.98 124.88 1.80 98.19 0.00 1.69 0.06 0.00 0.00 0.00 0.00 98.21 0.02 72 A E E 44.18 8.39 22.50 31.76 101.22 175.60 -97.78 -31.43 5.37 94.62 0.01 3.48 1.55 0.14 0.00 0.01 0.00 94.79 0.03 73 D E E 62.56 6.03 24.79 31.52 141.50 -0.21 -155.07 154.26 1.93 98.07 0.01 1.47 0.23 0.02 0.00 0.00 0.00 98.24 0.02 74 Y E E 57.86 21.23 13.84 33.91 128.98 -161.20 -132.61 139.82 0.94 99.06 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.08 0.02 75 Q E E 66.77 8.44 21.16 30.48 127.37 -172.92 -129.45 140.63 1.05 98.95 0.00 0.81 0.11 0.01 0.00 0.00 0.00 99.06 0.02 76 F E E 89.23 11.88 14.59 27.19 121.84 -154.36 -113.24 136.28 2.26 97.74 0.00 1.98 0.18 0.01 0.00 0.00 0.00 97.42 0.41 77 D C C 40.42 9.32 11.53 23.19 108.29 -129.61 -86.11 115.79 72.65 27.33 0.01 72.06 0.50 0.05 0.00 0.01 0.00 26.96 0.43 78 P C T 95.94 3.84 11.80 17.63 93.38 -155.56 -65.78 -25.91 99.52 0.08 0.41 0.27 4.68 94.61 0.01 0.36 0.00 0.04 0.02 79 L C T 134.12 1.04 12.40 13.10 96.48 47.57 -75.40 -37.91 99.37 0.17 0.46 0.28 4.88 94.27 0.01 0.41 0.00 0.09 0.06 80 K C T 123.24 2.55 12.12 15.48 100.54 24.51 -102.23 -7.85 99.37 0.19 0.45 1.79 7.45 90.11 0.02 0.47 0.00 0.11 0.04 81 N C T 99.87 6.38 12.78 21.11 95.15 -129.90 57.48 36.69 99.35 0.38 0.27 33.16 11.84 54.37 0.05 0.21 0.00 0.31 0.06 82 Q E E 72.53 7.12 19.35 27.58 131.95 121.11 -126.97 153.43 49.66 50.29 0.06 36.93 12.78 0.42 0.01 0.06 0.00 47.35 2.45 83 I E E 19.90 21.51 14.77 36.46 109.68 -110.66 -76.68 125.78 1.22 98.78 0.00 1.17 0.05 0.00 0.00 0.00 0.00 98.55 0.24 84 T E E 48.46 9.11 22.36 32.42 101.25 175.64 -99.96 -28.22 1.53 98.47 0.00 1.01 0.31 0.02 0.00 0.00 0.00 98.65 0.01 85 H E E 54.21 10.08 24.46 35.42 140.83 2.29 -155.14 149.76 0.37 99.63 0.00 0.28 0.02 0.00 0.00 0.00 0.00 99.69 0.00 86 I E E 7.67 24.91 16.82 42.08 126.07 -164.47 -130.07 133.59 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 87 D E E 36.35 10.17 26.60 37.65 119.92 -164.80 -113.62 131.94 0.32 99.68 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 88 F E E 10.56 24.49 17.50 42.13 124.46 -166.23 -119.46 135.90 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 89 L E E 43.62 11.17 25.20 36.85 124.32 -168.46 -122.14 134.95 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 90 A E E 25.38 16.76 18.71 35.52 116.00 -133.13 -90.20 133.52 1.24 98.76 0.00 1.20 0.04 0.00 0.00 0.00 0.00 98.71 0.05 91 I E E 40.70 14.59 15.46 30.77 118.36 -159.95 -106.77 129.30 19.46 80.49 0.05 17.87 1.00 0.14 0.01 0.04 0.00 80.42 0.51 92 N C C 104.12 4.81 16.33 22.14 110.19 -140.17 -91.68 111.77 54.28 45.63 0.10 50.04 1.80 0.51 0.02 0.08 0.00 46.60 0.95 93 M C C 96.71 9.89 12.98 23.32 101.05 -155.71 -86.72 5.03 99.85 0.15 0.00 99.81 0.07 0.02 0.00 0.00 0.00 0.08 0.01