# 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 E C C 115.00 5.71 20.84 27.25 115.39 -139.55 -93.57 131.09 99.54 0.46 0.00 99.49 0.10 0.02 0.00 0.00 0.00 0.37 0.01 1 I C C 37.77 19.44 12.73 31.56 118.06 -152.26 -104.17 129.14 55.71 44.18 0.11 54.82 0.51 0.16 0.02 0.05 0.00 43.76 0.67 2 V E E 63.42 8.02 20.90 29.81 118.99 -164.41 -113.89 127.78 15.43 84.44 0.13 14.01 1.16 0.24 0.04 0.09 0.00 83.77 0.69 3 L E E 34.80 19.87 14.19 33.59 118.33 -157.76 -103.82 129.06 9.45 90.47 0.08 8.72 0.62 0.12 0.03 0.05 0.00 89.84 0.61 4 T E E 65.51 8.06 21.09 29.74 120.96 -171.60 -118.42 134.41 16.15 83.69 0.16 14.24 1.47 0.30 0.04 0.11 0.00 82.91 0.91 5 Q E E 68.41 14.47 15.40 29.67 126.31 -162.96 -120.59 139.19 43.07 56.68 0.25 34.30 7.92 0.86 0.05 0.22 0.00 55.62 1.03 6 S C C 56.20 8.39 17.88 27.09 119.93 -128.69 -96.04 146.54 80.40 19.45 0.15 57.19 21.07 1.26 0.02 0.16 0.00 19.51 0.78 7 P C S 74.27 7.90 17.29 25.81 111.64 -45.46 -69.21 147.48 87.46 12.20 0.33 29.35 45.52 11.35 0.02 0.42 0.00 12.88 0.46 8 G C E 33.79 10.27 17.40 27.75 108.87 61.52 -48.47 -79.02 50.75 48.93 0.32 22.78 21.78 6.39 0.02 0.40 0.00 48.07 0.56 9 T E E 73.72 7.94 19.48 28.31 129.14 -11.25 -130.03 140.71 19.34 80.59 0.08 17.07 1.62 0.17 0.01 0.06 0.00 80.68 0.38 10 L E E 27.34 19.79 14.81 34.21 126.17 -170.86 -126.99 138.16 3.28 96.71 0.00 2.99 0.17 0.01 0.00 0.00 0.00 96.68 0.14 11 S E E 65.56 6.54 23.16 30.82 122.53 -158.19 -116.39 134.46 2.42 97.57 0.00 2.18 0.13 0.01 0.00 0.00 0.00 97.59 0.08 12 L E E 19.27 20.36 13.75 33.86 134.33 176.98 -139.26 153.74 12.38 87.60 0.02 11.69 0.53 0.03 0.00 0.01 0.00 86.97 0.77 13 S C C 55.01 4.54 23.33 27.52 121.80 -121.47 -86.26 158.66 79.45 20.45 0.10 77.15 2.09 0.27 0.03 0.07 0.00 18.94 1.46 14 A C T 49.99 13.75 14.18 27.98 109.18 -82.85 -60.14 134.93 98.74 0.66 0.60 0.40 3.32 95.36 0.05 0.38 0.00 0.38 0.11 15 G C T 47.59 4.00 19.26 24.01 96.03 23.11 88.61 -6.73 99.16 0.33 0.52 0.62 3.80 94.90 0.04 0.37 0.00 0.23 0.03 16 E C C 84.23 7.84 17.57 26.65 122.49 118.60 -85.98 150.35 92.84 6.79 0.37 67.96 24.25 0.77 0.07 0.31 0.00 5.86 0.78 17 R C C 127.77 8.92 18.61 28.79 122.72 -133.58 -105.40 141.51 58.83 41.12 0.05 57.83 0.94 0.09 0.01 0.03 0.00 40.05 1.06 18 A E E 10.07 21.22 15.26 36.42 130.20 -170.18 -129.62 147.64 2.83 97.16 0.01 2.64 0.10 0.01 0.00 0.00 0.00 97.11 0.14 19 T E E 66.19 8.43 24.59 33.66 120.90 -147.07 -113.52 131.95 1.17 98.82 0.00 1.06 0.05 0.00 0.00 0.00 0.00 98.86 0.03 20 L E E 6.45 25.09 16.85 42.37 123.23 -168.64 -117.95 133.30 5.01 94.98 0.01 4.45 0.32 0.02 0.00 0.01 0.00 95.12 0.07 21 S E E 37.34 10.02 26.40 36.89 125.94 -165.38 -117.56 142.38 11.76 88.22 0.02 10.42 0.70 0.04 0.00 0.01 0.00 88.71 0.12 22 C E E 5.43 24.91 17.06 42.15 133.16 -174.92 -137.31 149.13 10.30 89.67 0.03 9.41 0.56 0.05 0.00 0.02 0.00 89.63 0.33 23 R E E 109.53 7.16 26.73 34.73 121.83 -152.60 -115.58 135.01 6.36 93.60 0.04 5.88 0.36 0.04 0.02 0.02 0.00 91.77 1.91 24 A E E 9.28 23.69 13.24 36.63 120.78 -153.63 -95.84 141.88 39.92 59.71 0.38 37.42 1.72 0.31 0.13 0.24 0.00 58.23 1.95 25 S C C 54.32 6.88 19.86 27.25 115.03 -138.27 -82.97 156.89 83.80 13.58 2.63 51.78 25.44 6.54 0.46 2.31 0.00 12.23 1.23 26 Q C S 120.90 4.15 17.57 22.51 105.09 -23.87 -72.03 -21.30 86.96 4.64 8.40 13.78 45.59 28.82 1.49 5.95 0.01 3.31 1.05 27 S C C 78.20 3.99 18.47 23.07 104.70 29.68 -85.03 48.55 87.48 4.61 7.91 41.01 21.05 25.49 1.56 6.64 0.00 3.17 1.06 28 V C C 24.62 20.80 11.06 30.74 117.72 97.08 -99.96 133.08 81.24 9.13 9.62 56.17 15.63 8.76 3.38 6.69 0.01 5.46 3.90 29 S C C 61.87 5.75 22.14 27.99 112.92 -145.95 -91.78 133.25 86.21 5.63 8.16 61.58 12.91 11.31 2.22 6.37 0.00 3.87 1.73 30 S C T 39.70 16.19 16.77 31.82 103.39 -117.90 -83.00 16.23 69.88 5.62 24.50 21.43 23.38 26.39 2.05 21.73 0.01 3.85 1.16 31 S C S 58.28 9.35 21.84 30.97 98.32 63.89 -85.95 -10.95 69.54 8.80 21.65 13.87 29.49 27.15 1.30 19.63 0.01 7.65 0.90 32 Y E E 57.28 15.26 22.26 37.04 114.20 47.33 -114.49 101.13 37.35 45.05 17.60 19.12 8.68 11.76 1.15 15.03 0.01 43.50 0.75 33 L E E 4.57 25.48 19.93 45.52 127.02 105.93 -120.51 140.06 9.12 90.84 0.04 8.14 0.79 0.06 0.01 0.02 0.00 90.72 0.26 34 A E E 11.23 17.98 27.79 45.54 131.35 -172.00 -128.85 147.46 0.88 99.11 0.00 0.81 0.03 0.00 0.00 0.00 0.00 99.14 0.02 35 W E E 9.67 24.19 23.00 46.91 124.71 -148.86 -112.44 138.98 0.60 99.40 0.00 0.54 0.03 0.00 0.00 0.00 0.00 99.43 0.01 36 Y E E 23.39 17.68 23.27 40.91 133.09 -174.21 -132.01 150.49 0.97 99.03 0.00 0.84 0.04 0.00 0.00 0.00 0.00 99.08 0.03 37 Q E E 45.34 14.06 21.58 35.87 122.89 -146.53 -110.97 136.89 3.01 96.99 0.01 2.56 0.23 0.02 0.00 0.00 0.00 97.10 0.10 38 Q E E 53.91 14.28 15.35 30.04 120.17 -153.92 -105.24 136.07 29.77 70.20 0.03 26.91 2.02 0.09 0.01 0.02 0.00 69.73 1.22 39 K C C 101.24 6.02 15.70 23.03 119.46 -143.39 -97.43 144.71 98.07 1.91 0.03 96.04 2.11 0.16 0.01 0.02 0.00 1.35 0.32 40 P C T 103.95 3.87 11.47 17.36 109.68 -88.15 -58.69 134.11 99.57 0.12 0.31 0.49 3.84 95.26 0.01 0.30 0.00 0.07 0.03 41 G C T 68.79 0.32 13.07 10.88 95.49 17.93 83.60 -2.88 99.60 0.08 0.32 0.58 3.70 95.29 0.01 0.34 0.00 0.05 0.01 42 Q C S 90.70 5.29 10.35 17.76 129.82 97.02 -114.63 160.14 95.08 4.43 0.50 34.59 58.96 1.66 0.09 0.42 0.00 1.60 2.69 43 A C C 74.21 2.57 17.81 20.39 116.56 -97.32 -71.30 150.41 97.54 2.43 0.03 85.60 11.99 0.18 0.01 0.03 0.00 1.85 0.35 44 P C C 42.74 18.29 11.85 29.47 114.91 -99.96 -65.94 144.19 89.61 10.35 0.04 87.91 1.80 0.13 0.00 0.03 0.00 9.84 0.30 45 R E E 100.67 8.94 21.74 31.24 124.63 -159.37 -120.24 138.27 8.30 91.64 0.07 7.36 0.79 0.08 0.03 0.03 0.00 91.03 0.68 46 L E E 54.87 16.82 18.86 35.12 110.93 -116.30 -75.45 126.69 1.18 98.80 0.01 1.08 0.05 0.01 0.01 0.00 0.00 98.80 0.05 47 L E E 19.50 19.15 21.99 40.83 101.48 176.07 -96.15 -33.26 2.33 97.63 0.04 1.66 0.51 0.03 0.01 0.01 0.00 97.75 0.02 48 I E E 10.42 21.92 22.42 43.97 134.73 6.23 -145.85 141.52 0.85 99.13 0.02 0.69 0.07 0.01 0.01 0.00 0.00 99.20 0.03 49 Y E E 53.54 17.87 23.37 40.02 131.09 -174.14 -133.71 141.22 6.24 93.67 0.09 5.28 0.58 0.10 0.03 0.03 0.00 93.78 0.21 50 G E E 10.43 17.95 21.02 38.18 127.54 148.82 -121.30 167.59 45.06 53.39 1.56 29.18 12.72 4.23 0.43 1.06 0.00 51.46 0.92 51 A C C 39.82 13.57 19.36 32.59 103.87 -102.94 -78.38 -7.06 68.94 17.93 13.14 25.40 23.23 22.79 3.65 8.21 0.11 14.31 2.30 52 S C T 63.30 8.45 18.59 27.06 100.48 40.72 -83.05 -15.23 74.34 4.82 20.83 20.65 23.39 32.04 6.26 12.89 0.09 2.92 1.77 53 S C T 61.02 8.94 16.84 26.10 103.36 51.60 -88.37 13.10 67.53 6.66 25.81 23.13 20.86 25.80 8.96 14.87 0.14 3.92 2.32 54 R C C 122.11 9.29 16.37 26.07 104.32 76.66 -85.77 27.30 60.48 16.37 23.15 30.77 15.11 16.44 10.54 11.86 0.25 10.96 4.07 55 A C C 50.38 12.98 14.44 27.25 105.09 109.60 -82.01 44.13 62.98 18.13 18.89 34.61 14.27 15.68 8.36 10.07 0.19 12.75 4.07 56 T C C 82.38 6.64 17.99 25.51 111.31 134.08 -96.99 111.69 69.57 16.94 13.49 27.85 18.09 25.79 5.55 7.03 0.19 12.07 3.41 57 G C C 37.95 7.90 18.99 27.47 109.57 2.86 91.32 -0.64 83.42 12.66 3.91 35.65 26.54 22.61 0.86 2.98 0.01 8.96 2.40 58 I C C 29.14 21.02 12.40 32.38 114.95 122.65 -94.15 127.00 89.78 9.58 0.64 72.22 16.48 1.14 0.27 0.41 0.00 6.07 3.42 59 P C C 55.24 10.40 16.72 27.98 111.75 -116.04 -66.46 151.95 84.99 5.32 9.69 66.52 7.13 10.45 1.47 9.16 0.00 4.19 1.08 60 D C T 116.05 2.97 18.78 22.53 94.95 -104.94 -68.24 -16.61 76.17 4.66 19.17 15.36 22.37 38.92 1.47 17.64 0.02 3.32 0.90 61 R C T 99.23 11.50 18.05 29.41 98.56 58.48 -94.29 -3.45 66.21 14.21 19.58 19.00 17.83 30.90 1.60 17.08 0.03 12.47 1.09 62 F E E 22.53 23.43 12.85 35.47 121.74 86.33 -110.49 134.25 21.86 75.40 2.74 17.50 4.03 1.62 0.91 1.56 0.01 72.74 1.64 63 S E E 53.54 6.83 23.76 31.63 134.51 169.16 -137.30 153.62 7.86 91.94 0.20 6.77 0.93 0.20 0.10 0.08 0.00 91.18 0.74 64 G E E 23.23 18.27 15.37 32.37 140.87 166.19 -156.15 168.32 8.70 91.22 0.08 7.40 1.01 0.18 0.02 0.04 0.00 91.02 0.33 65 S E E 66.61 4.57 21.88 28.07 135.73 -162.19 -147.61 155.63 16.54 83.37 0.09 14.12 1.91 0.29 0.02 0.06 0.00 83.13 0.47 66 G E E 30.20 11.22 15.21 27.13 139.71 136.36 95.99 162.93 34.04 65.79 0.16 25.10 8.31 1.17 0.02 0.17 0.00 64.16 1.07 67 S C C 77.26 3.18 20.62 24.43 120.53 -110.37 -125.02 131.74 57.66 41.81 0.53 39.26 15.43 3.93 0.10 0.57 0.00 37.03 3.68 68 G C S 35.37 9.28 19.02 28.52 109.39 -45.78 64.24 -131.71 98.11 1.08 0.81 2.45 52.06 43.80 0.02 0.78 0.00 0.75 0.15 69 T C S 57.00 13.97 16.42 30.43 97.40 -10.28 -97.36 -2.81 98.11 1.21 0.68 2.36 51.71 44.24 0.02 0.63 0.00 0.91 0.13 70 D E E 59.96 9.00 22.26 32.34 118.85 84.98 -106.58 130.89 38.15 61.55 0.31 25.74 12.00 1.98 0.04 0.36 0.00 58.01 1.86 71 F E E 7.61 24.57 15.97 41.01 128.44 -174.14 -126.73 141.58 12.72 87.28 0.01 12.08 0.37 0.02 0.00 0.00 0.00 87.14 0.38 72 T E E 35.53 10.40 27.26 38.69 122.24 -162.45 -117.86 132.93 3.08 96.92 0.00 2.70 0.10 0.00 0.00 0.00 0.00 97.16 0.04 73 L E E 2.98 26.14 18.86 45.92 119.36 -162.64 -112.80 128.52 0.29 99.71 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 74 T E E 38.95 10.18 27.28 38.32 119.82 -164.32 -114.63 127.63 0.15 99.85 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 75 I E E 6.68 24.33 16.51 41.49 117.92 -167.39 -114.82 124.75 2.70 97.30 0.00 2.84 0.03 0.00 0.00 0.00 0.00 96.75 0.38 76 S C S 44.81 7.49 23.04 30.80 124.33 -165.75 -108.16 156.98 90.81 9.16 0.04 43.05 44.36 1.92 0.00 0.06 0.00 10.40 0.20 77 R C S 143.45 4.12 23.71 27.99 95.77 7.98 56.63 52.31 98.56 1.42 0.01 10.87 85.77 1.91 0.00 0.02 0.00 1.34 0.10 78 L C C 15.48 24.06 10.33 33.95 114.61 -153.94 -75.58 134.62 98.81 1.18 0.01 97.68 1.39 0.02 0.00 0.00 0.00 0.42 0.48 79 E C C 86.51 4.49 24.23 28.48 129.61 -170.10 -121.73 156.74 99.89 0.10 0.01 99.64 0.28 0.00 0.00 0.00 0.00 0.02 0.05 80 P H G 67.98 13.47 14.90 28.44 91.08 -106.23 -58.56 -31.63 3.40 0.02 96.58 0.17 0.20 2.13 0.27 97.21 0.00 0.01 0.00 81 E H G 125.56 3.80 21.39 25.97 90.04 62.86 -70.46 -16.41 2.81 0.02 97.17 0.08 0.14 1.89 0.19 97.68 0.00 0.01 0.00 82 D H G 16.68 19.89 16.80 37.04 94.56 60.94 -88.59 -1.38 3.75 0.05 96.21 0.43 0.36 1.69 0.26 97.22 0.00 0.03 0.00 83 F C C 39.77 18.46 20.06 38.40 116.88 102.76 -80.38 135.49 81.18 18.48 0.34 77.56 3.69 0.19 0.05 0.29 0.00 17.48 0.75 84 A E E 12.12 18.48 23.39 41.05 140.52 163.79 -149.15 171.10 11.60 88.39 0.02 10.59 0.91 0.05 0.00 0.01 0.00 87.91 0.52 85 V E E 30.84 15.72 25.74 41.35 119.39 -110.84 -106.31 132.19 1.51 98.49 0.00 1.40 0.08 0.00 0.00 0.00 0.00 98.48 0.03 86 Y E E 6.38 25.10 20.75 45.95 123.17 -165.30 -114.51 136.45 0.56 99.44 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.01 87 Y E E 31.19 15.96 26.94 42.85 127.14 -167.76 -121.39 143.10 1.06 98.94 0.00 1.01 0.03 0.00 0.00 0.00 0.00 98.94 0.02 88 C E E 4.30 24.57 20.00 44.75 124.96 -159.81 -115.52 139.96 3.34 96.65 0.01 3.11 0.12 0.01 0.00 0.00 0.00 96.70 0.05 89 Q E E 42.22 12.02 23.94 36.45 129.56 -173.33 -129.79 146.74 1.90 98.09 0.01 1.59 0.16 0.02 0.00 0.01 0.00 98.17 0.05 90 Q E E 62.71 14.53 15.85 30.52 116.66 -134.33 -99.56 128.24 5.08 94.88 0.04 4.01 0.71 0.12 0.00 0.03 0.00 94.98 0.14 91 Y E E 106.17 7.57 13.91 22.95 113.89 -177.52 -125.37 104.51 18.75 81.04 0.21 13.32 4.11 1.58 0.03 0.20 0.00 80.16 0.60 92 G C T 59.34 0.97 14.47 14.80 110.85 -50.40 63.09 -129.64 98.57 0.96 0.47 2.76 19.65 76.13 0.02 0.54 0.00 0.79 0.10 93 S C T 97.64 1.48 12.90 14.92 97.24 -20.15 -93.09 2.85 98.98 0.55 0.47 2.94 21.92 74.06 0.02 0.55 0.00 0.44 0.07 94 S E E 57.62 5.17 15.36 22.15 126.99 83.13 -111.07 149.94 21.82 78.08 0.09 14.42 7.07 0.79 0.01 0.09 0.00 77.08 0.55 95 F E E 59.02 17.84 12.60 29.88 121.82 -147.68 -109.20 135.28 8.97 91.02 0.01 8.24 0.33 0.02 0.00 0.00 0.00 91.29 0.10 96 T E E 54.63 8.62 22.53 31.70 127.14 -170.49 -123.55 140.81 2.28 97.72 0.00 2.05 0.10 0.01 0.00 0.00 0.00 97.68 0.15 97 F E E 56.04 19.20 16.08 34.35 118.31 -143.75 -101.68 133.23 11.51 88.46 0.03 10.12 1.04 0.10 0.00 0.02 0.00 88.11 0.62 98 G C C 16.34 13.11 17.16 30.78 126.71 -134.81 -86.00 171.64 72.89 26.79 0.31 49.22 19.31 3.06 0.03 0.34 0.00 27.47 0.57 99 P C S 97.16 3.97 20.84 25.09 105.71 -57.87 -69.80 126.64 79.00 20.37 0.63 23.35 37.57 18.20 0.04 0.71 0.00 19.45 0.69 100 G C C 24.10 14.84 16.52 30.52 125.81 -84.62 99.68 171.96 68.61 30.84 0.55 39.53 18.14 9.81 0.04 0.62 0.00 31.36 0.51 101 T E E 38.29 15.60 17.85 33.38 125.40 -95.79 -115.67 141.23 28.26 71.68 0.06 25.46 1.61 0.14 0.01 0.04 0.00 72.23 0.50 102 K E E 110.77 8.15 22.02 31.04 119.46 -145.17 -103.51 133.52 3.73 96.25 0.02 3.36 0.28 0.02 0.00 0.01 0.00 95.88 0.45 103 V E E 14.27 22.36 13.87 36.04 121.84 -167.27 -118.67 132.07 4.62 95.35 0.02 4.32 0.23 0.03 0.01 0.01 0.00 95.10 0.31 104 D E E 80.52 4.91 23.25 28.49 116.06 -151.90 -101.35 127.26 9.76 90.18 0.06 8.91 0.54 0.12 0.02 0.04 0.00 89.93 0.44 105 I E E 28.73 21.13 10.73 30.78 116.33 -160.42 -103.28 125.50 30.09 69.79 0.12 29.82 0.41 0.14 0.05 0.05 0.00 68.07 1.46 106 K C C 132.83 3.72 19.69 24.23 114.64 -158.28 -95.21 126.90 99.35 0.64 0.00 99.42 0.05 0.01 0.00 0.00 0.00 0.51 0.01