# 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 Q C C 108.90 5.64 20.30 26.67 117.17 -151.39 -98.96 129.95 99.20 0.80 0.01 99.11 0.13 0.03 0.00 0.00 0.00 0.72 0.01 1 I E E 39.49 19.24 12.09 30.63 117.35 -154.27 -103.41 129.14 41.74 58.20 0.06 40.77 0.53 0.12 0.01 0.03 0.00 58.04 0.50 2 V E E 69.10 6.66 20.90 28.47 118.77 -165.14 -114.46 128.07 8.06 91.88 0.06 7.35 0.60 0.10 0.02 0.04 0.00 91.48 0.41 3 L E E 35.66 19.83 13.10 32.44 118.21 -158.22 -104.19 128.56 5.80 94.16 0.04 5.37 0.33 0.06 0.02 0.02 0.00 93.88 0.33 4 T E E 70.04 6.75 20.62 28.08 121.77 -171.25 -116.83 135.10 17.61 82.27 0.12 15.23 1.70 0.27 0.03 0.08 0.00 82.00 0.69 5 Q C E 70.68 13.70 14.51 28.28 128.03 -167.28 -124.78 143.02 50.42 49.38 0.20 35.79 13.89 1.09 0.03 0.19 0.00 48.00 1.00 6 S C C 62.29 7.10 17.73 25.83 120.44 -131.47 -95.85 146.55 80.83 18.98 0.19 47.21 31.46 1.72 0.02 0.20 0.00 18.60 0.78 7 P C C 65.69 8.35 16.67 25.93 114.65 4.17 -70.14 149.45 88.89 10.69 0.42 53.05 30.33 4.64 0.04 0.48 0.00 11.00 0.47 8 A C E 48.20 12.72 15.97 28.83 99.84 -146.17 -81.48 -20.99 58.74 40.75 0.51 39.22 16.67 2.70 0.06 0.53 0.00 40.07 0.76 9 I E E 85.57 9.26 18.85 28.82 125.27 25.28 -122.71 133.72 15.94 83.97 0.10 13.89 1.67 0.20 0.02 0.08 0.00 83.71 0.44 10 M E E 43.21 17.13 16.29 33.26 128.86 -175.22 -130.92 142.93 2.82 97.17 0.01 2.49 0.19 0.01 0.00 0.00 0.00 97.17 0.12 11 S E E 62.06 8.06 22.34 31.53 126.34 -158.92 -120.99 140.72 3.01 96.98 0.01 2.64 0.25 0.01 0.00 0.00 0.00 96.97 0.12 12 A E E 11.48 19.55 14.58 34.33 136.58 173.65 -142.94 157.75 20.19 79.78 0.02 18.62 1.15 0.05 0.00 0.01 0.00 79.33 0.83 13 S C C 53.42 5.03 23.32 28.12 122.96 -114.81 -87.20 158.11 92.74 7.22 0.04 90.36 2.37 0.19 0.01 0.03 0.00 6.50 0.55 14 P C T 61.85 13.71 14.36 28.15 109.61 -80.82 -59.75 136.00 99.22 0.38 0.40 0.32 3.13 95.96 0.02 0.28 0.00 0.21 0.07 15 G C T 49.12 3.49 19.34 23.45 95.62 22.56 88.99 -6.19 99.44 0.25 0.32 0.59 3.49 95.45 0.01 0.26 0.00 0.16 0.03 16 E C C 80.94 8.69 16.45 26.42 120.55 121.54 -80.33 148.08 92.53 7.25 0.22 74.75 17.46 0.49 0.04 0.20 0.00 6.33 0.72 17 K C C 119.58 7.28 19.01 27.70 119.32 -126.80 -93.80 136.76 57.11 42.88 0.02 56.39 0.66 0.04 0.00 0.01 0.00 42.38 0.52 18 V E E 14.17 21.48 14.20 35.59 128.85 -170.44 -128.07 142.58 1.58 98.42 0.00 1.58 0.03 0.00 0.00 0.00 0.00 98.32 0.07 19 T E E 66.51 7.67 24.13 32.37 120.03 -151.95 -112.28 131.34 0.50 99.50 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 20 M E E 8.11 24.75 16.01 41.05 122.82 -168.47 -117.42 133.16 2.19 97.81 0.00 1.97 0.09 0.00 0.00 0.00 0.00 97.92 0.02 21 T E E 55.51 8.42 26.44 35.36 122.35 -162.92 -113.15 135.73 8.39 91.61 0.00 7.52 0.30 0.01 0.00 0.00 0.00 92.12 0.05 22 C E E 4.76 25.37 15.86 41.60 130.25 -173.06 -129.56 146.61 9.34 90.65 0.01 8.44 0.44 0.02 0.00 0.00 0.00 90.97 0.13 23 S E E 44.69 7.81 27.20 35.86 128.89 -168.54 -128.54 144.36 3.63 96.36 0.01 3.33 0.17 0.02 0.00 0.00 0.00 96.01 0.47 24 A E E 9.25 24.00 13.57 37.18 128.92 -172.01 -128.56 145.00 15.66 84.27 0.08 14.50 1.00 0.12 0.02 0.05 0.00 82.79 1.51 25 S C C 72.88 3.95 22.90 26.94 100.92 -162.83 -99.62 -1.70 70.10 29.71 0.19 44.65 23.77 1.71 0.02 0.22 0.00 28.79 0.84 26 S C S 40.48 8.45 18.64 28.15 135.57 51.84 -133.85 168.81 87.74 11.75 0.50 21.09 59.05 7.11 0.04 0.51 0.00 11.44 0.76 27 T C C 82.33 6.20 22.00 28.59 106.31 -95.49 -85.15 85.74 92.28 7.30 0.42 56.68 27.97 7.43 0.04 0.55 0.00 6.68 0.64 28 V C C 18.61 21.61 13.90 34.97 123.47 127.73 -111.33 138.62 79.63 20.00 0.37 68.95 8.87 1.21 0.08 0.36 0.00 17.73 2.80 29 S C S 53.60 7.93 23.82 32.21 99.74 -168.17 -91.78 -28.10 83.98 15.93 0.08 24.30 57.77 1.26 0.01 0.08 0.00 16.24 0.35 30 F E E 51.95 12.10 24.16 36.83 133.31 14.34 -146.49 143.14 24.40 75.54 0.06 17.80 5.66 0.44 0.01 0.06 0.00 75.68 0.36 31 I E E 4.65 25.87 19.00 45.33 124.60 -167.38 -124.49 132.39 3.89 96.11 0.00 3.50 0.17 0.01 0.00 0.00 0.00 96.24 0.08 32 Y E E 38.85 15.08 27.52 42.66 126.89 -171.84 -122.56 140.95 0.43 99.57 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 33 W E E 9.53 24.04 21.98 45.91 123.92 -158.67 -114.07 136.79 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.00 34 Y E E 25.39 16.32 23.70 40.24 131.22 -174.69 -130.14 148.77 0.45 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.58 0.01 35 Q E E 38.57 14.83 21.24 36.40 122.86 -151.64 -112.06 136.15 1.95 98.04 0.00 1.62 0.12 0.00 0.00 0.00 0.00 98.19 0.05 36 Q E E 51.96 13.76 15.62 30.04 118.97 -142.19 -101.51 133.66 23.97 76.01 0.01 22.29 1.05 0.04 0.00 0.01 0.00 75.66 0.95 37 K C C 96.33 6.36 14.99 22.75 118.61 -137.12 -84.93 147.76 97.92 2.04 0.04 95.70 2.23 0.25 0.01 0.03 0.00 1.47 0.31 38 P C T 109.12 2.93 11.29 16.19 109.39 -86.25 -59.14 135.42 99.59 0.11 0.30 0.48 4.14 94.99 0.01 0.28 0.00 0.07 0.02 39 G C T 69.65 0.24 12.69 9.96 95.75 19.10 83.16 -2.90 99.61 0.08 0.31 0.64 4.22 94.74 0.01 0.32 0.00 0.05 0.01 40 S C S 54.36 5.65 9.00 16.71 129.54 96.73 -113.73 165.63 96.25 3.45 0.30 35.10 60.25 1.08 0.05 0.24 0.00 1.22 2.06 41 S C C 84.65 1.40 16.79 17.44 117.23 -95.43 -75.74 149.89 98.17 1.81 0.02 85.38 12.88 0.15 0.00 0.02 0.00 1.29 0.27 42 P C C 53.57 16.68 10.41 26.18 115.24 -101.46 -66.42 145.03 90.32 9.66 0.02 88.32 2.02 0.12 0.00 0.02 0.00 9.18 0.35 43 R E E 113.91 6.79 19.85 27.70 123.76 -154.95 -117.55 137.41 7.81 92.16 0.03 6.90 0.67 0.05 0.01 0.02 0.00 91.84 0.51 44 L E E 73.90 13.75 17.96 31.48 111.31 -114.06 -72.19 130.30 1.11 98.89 0.00 1.02 0.04 0.00 0.00 0.00 0.00 98.90 0.03 45 L E E 22.87 18.51 19.56 38.00 101.78 176.69 -97.10 -34.83 3.57 96.42 0.01 2.59 0.85 0.03 0.00 0.01 0.00 96.51 0.02 46 I E E 18.87 19.62 20.79 40.16 135.56 5.51 -147.01 143.41 0.67 99.32 0.00 0.56 0.05 0.01 0.00 0.00 0.00 99.35 0.03 47 Y E E 62.55 17.03 20.99 37.15 126.22 -172.21 -129.46 135.66 4.42 95.53 0.04 3.82 0.33 0.06 0.01 0.02 0.00 95.51 0.25 48 D E E 36.11 14.35 20.03 34.56 119.38 -172.92 -116.24 126.27 45.42 54.06 0.52 34.72 9.00 1.78 0.12 0.41 0.00 53.15 0.82 49 T C S 59.00 13.04 17.69 30.65 100.49 -169.39 -93.87 -3.93 80.81 16.27 2.93 30.84 31.39 19.40 0.52 2.24 0.01 14.13 1.48 50 S C S 65.89 5.78 18.61 25.04 103.11 73.74 -84.91 -14.55 89.90 5.70 4.40 21.99 43.68 24.99 0.77 3.30 0.00 3.76 1.49 51 N C C 88.20 6.58 17.40 24.86 110.60 31.79 -112.88 91.40 88.36 6.52 5.13 49.39 31.16 8.15 1.72 3.15 0.01 3.33 3.09 52 P C C 49.51 15.78 12.04 27.25 104.57 -166.64 -71.38 51.17 76.59 6.13 17.29 50.71 10.18 15.71 4.81 12.38 0.00 3.76 2.43 53 A C C 62.60 8.25 14.74 23.83 102.42 -110.26 -75.09 4.43 70.80 9.61 19.58 33.56 14.67 23.63 4.26 14.43 0.04 4.81 4.59 54 S C T 74.98 4.80 15.09 21.15 103.77 51.80 -85.71 30.95 80.41 3.11 16.48 14.23 18.08 48.16 2.76 13.41 0.02 1.72 1.61 55 G C T 54.55 3.42 16.27 20.78 99.25 -71.45 83.32 2.38 92.56 2.45 4.99 17.39 27.56 47.74 0.68 4.31 0.00 1.49 0.83 56 V C C 43.16 14.44 11.49 26.55 117.05 120.20 -97.20 129.97 83.63 15.83 0.54 47.79 35.77 1.26 0.22 0.33 0.00 6.28 8.35 57 P C C 74.31 6.02 19.93 26.56 110.38 -114.40 -67.77 138.59 88.76 10.56 0.68 74.74 11.40 2.23 0.20 0.52 0.00 8.76 2.15 58 V C C 45.69 19.21 13.42 31.37 121.20 -158.80 -107.29 135.56 72.44 26.29 1.27 59.67 9.38 2.51 0.39 0.96 0.00 24.43 2.66 59 R E E 117.74 7.26 22.55 30.47 122.67 -167.35 -119.68 134.85 44.74 54.27 0.99 35.65 7.62 1.64 0.40 0.62 0.00 51.51 2.56 60 F E E 44.96 21.80 13.86 34.55 123.74 -165.89 -114.82 137.50 22.95 76.32 0.74 19.60 2.85 0.83 0.35 0.41 0.00 73.48 2.47 61 S E E 56.31 6.43 22.80 30.31 133.57 175.45 -137.73 156.03 18.91 80.58 0.51 15.92 2.44 0.71 0.20 0.29 0.00 79.05 1.40 62 G E E 28.41 15.15 15.58 30.15 138.74 150.34 -155.03 170.26 25.89 73.69 0.42 20.13 5.29 1.22 0.10 0.31 0.00 71.96 1.00 63 S E E 69.65 4.87 20.13 26.48 126.88 -147.77 -132.37 152.30 34.01 65.55 0.44 26.35 6.70 1.82 0.10 0.39 0.00 63.30 1.35 64 G C E 33.05 11.80 14.57 26.62 131.39 142.69 -160.04 167.81 50.35 49.17 0.48 27.43 19.77 4.94 0.06 0.51 0.00 45.92 1.37 65 C C E 89.21 3.66 19.76 24.09 118.07 -125.36 -120.32 126.32 61.83 37.10 1.06 28.39 25.77 10.20 0.17 1.14 0.01 30.73 3.61 66 G C S 36.65 8.06 18.98 27.44 110.49 -40.75 65.58 -129.14 96.51 2.58 0.91 4.67 50.72 41.29 0.04 0.95 0.00 2.01 0.31 67 T C S 56.29 14.17 16.55 30.58 98.81 -11.89 -99.93 1.49 95.66 3.68 0.66 5.10 50.36 40.25 0.03 0.67 0.00 3.28 0.30 68 S E E 35.38 10.56 21.70 33.38 125.43 85.83 -111.76 139.57 31.95 67.90 0.15 23.31 8.21 1.10 0.03 0.17 0.00 64.73 2.44 69 Y E E 12.53 23.32 16.89 40.26 132.73 -175.72 -135.90 148.99 12.14 87.85 0.01 11.28 0.53 0.04 0.00 0.01 0.00 87.61 0.54 70 Y E E 71.05 10.81 26.73 38.22 125.03 -161.77 -125.06 135.73 7.16 92.84 0.00 6.09 0.62 0.01 0.00 0.00 0.00 93.15 0.12 71 L E E 3.52 25.84 18.60 45.24 120.46 -164.63 -115.25 129.20 1.00 99.00 0.00 0.97 0.02 0.00 0.00 0.00 0.00 98.99 0.01 72 T E E 41.24 9.62 27.11 37.63 119.22 -162.66 -114.25 128.48 0.34 99.66 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.02 73 I E E 7.21 24.10 16.31 41.02 118.28 -167.10 -113.63 124.32 2.36 97.64 0.00 2.52 0.02 0.00 0.00 0.00 0.00 96.74 0.71 74 S C S 45.62 7.22 22.68 30.22 127.19 -171.13 -111.94 157.57 85.06 14.87 0.06 37.97 41.33 3.65 0.00 0.09 0.00 16.70 0.25 75 R C S 150.16 3.31 23.35 26.62 94.53 9.20 57.46 50.23 97.52 2.45 0.03 7.18 85.66 4.47 0.00 0.03 0.00 2.55 0.10 76 M C C 22.05 23.47 10.23 32.85 115.08 -158.08 -75.79 136.96 98.07 1.92 0.01 97.31 1.21 0.02 0.00 0.00 0.00 1.07 0.39 77 E C C 88.52 4.12 24.11 27.83 130.56 -165.69 -120.98 160.15 97.37 2.60 0.03 97.76 0.31 0.01 0.01 0.01 0.00 0.49 1.42 78 A H G 52.71 13.47 14.75 28.26 91.22 -102.27 -58.70 -35.25 2.88 0.02 97.10 0.17 0.19 2.00 0.61 97.02 0.00 0.01 0.00 79 E H G 127.92 3.50 21.34 25.39 90.02 61.50 -68.60 -19.06 2.59 0.02 97.39 0.09 0.15 1.95 0.41 97.39 0.00 0.02 0.00 80 D H G 20.39 19.19 16.81 36.20 93.45 59.66 -87.06 -5.47 3.60 0.03 96.36 0.39 0.35 1.96 0.51 96.77 0.00 0.03 0.00 81 A C C 24.00 17.49 18.96 36.59 114.92 110.37 -72.19 136.45 98.56 1.32 0.12 95.79 2.80 0.15 0.02 0.08 0.00 1.06 0.10 82 A E E 16.98 15.52 23.27 38.61 145.25 136.19 -167.03 174.39 7.46 92.52 0.02 6.98 0.45 0.03 0.00 0.01 0.00 91.67 0.85 83 T E E 39.90 12.72 25.43 38.47 119.32 -88.48 -102.45 135.91 0.92 99.08 0.00 0.85 0.04 0.00 0.00 0.00 0.00 99.08 0.03 84 Y E E 6.91 25.40 19.33 44.99 124.71 -165.13 -117.70 138.67 0.42 99.58 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.60 0.01 85 Y E E 36.06 15.42 27.33 42.79 129.16 -170.03 -124.72 144.79 1.29 98.70 0.01 1.14 0.08 0.01 0.00 0.01 0.00 98.72 0.04 86 C E E 2.99 25.48 21.01 46.77 124.19 -158.89 -117.43 138.19 5.43 94.52 0.05 4.82 0.38 0.04 0.01 0.04 0.00 94.56 0.14 87 Q E E 34.94 14.41 26.03 40.45 127.85 -170.90 -121.91 142.56 4.35 95.60 0.05 3.91 0.29 0.04 0.01 0.02 0.00 95.54 0.19 88 Q E E 26.52 19.19 19.24 38.04 122.64 -157.62 -113.33 136.17 6.82 93.11 0.08 5.70 0.89 0.14 0.02 0.04 0.00 92.93 0.26 89 W E E 87.83 11.36 19.12 31.13 118.69 -157.87 -108.88 132.64 21.43 78.43 0.14 17.43 3.51 0.57 0.03 0.12 0.00 77.37 0.97 90 N C C 55.12 10.77 13.15 24.96 129.65 169.90 -129.20 165.00 63.29 36.46 0.25 51.26 9.04 1.45 0.04 0.24 0.00 36.84 1.12 91 T C S 104.09 2.79 14.70 18.35 99.59 -97.93 -79.99 -16.70 96.69 2.88 0.43 13.41 64.70 18.59 0.04 0.43 0.00 2.48 0.36 92 Y C S 151.96 2.86 13.71 17.82 120.12 31.90 -114.21 129.73 97.51 2.06 0.43 13.91 67.69 16.00 0.04 0.43 0.00 1.60 0.35 93 P C C 79.38 4.57 16.13 21.52 116.51 -21.39 -75.73 151.20 81.70 17.83 0.48 45.51 29.31 6.41 0.06 0.50 0.00 17.26 0.95 94 L E E 55.40 16.56 12.84 28.94 114.05 -110.38 -76.45 134.48 49.75 49.98 0.27 43.37 3.71 0.98 0.05 0.22 0.00 50.88 0.80 95 T E E 50.51 10.52 20.72 31.84 127.15 -170.90 -124.44 141.94 13.56 86.32 0.13 11.83 1.24 0.24 0.04 0.08 0.00 83.92 2.66 96 F E E 62.60 18.41 17.28 34.61 118.12 -140.11 -97.38 134.54 16.85 83.00 0.15 14.23 1.99 0.46 0.04 0.10 0.00 80.65 2.53 97 G C E 19.29 13.51 19.19 32.77 121.46 -148.05 -86.12 -166.77 56.23 43.51 0.26 40.34 12.88 2.30 0.04 0.24 0.00 43.42 0.77 98 A C C 61.04 8.01 23.01 30.84 107.09 -78.92 -80.98 112.68 66.40 33.36 0.24 50.43 12.81 1.74 0.03 0.24 0.00 34.17 0.59 99 G C E 15.83 19.04 16.56 34.17 131.74 -145.91 -102.79 174.11 53.49 46.42 0.09 46.01 4.92 0.45 0.01 0.08 0.00 48.11 0.42 100 T E E 35.50 14.74 20.03 34.97 128.27 -118.05 -124.79 144.37 6.63 93.35 0.01 6.11 0.31 0.03 0.00 0.01 0.00 93.31 0.23 101 K E E 104.43 9.49 21.41 31.36 119.51 -141.94 -101.84 133.98 1.03 98.97 0.01 0.91 0.05 0.00 0.00 0.00 0.00 98.98 0.06 102 L E E 26.17 19.82 13.55 33.12 120.44 -160.42 -111.58 132.54 2.66 97.33 0.01 2.52 0.08 0.01 0.00 0.00 0.00 97.28 0.11 103 E E E 112.18 4.55 20.24 25.66 117.60 -154.82 -106.07 131.14 11.23 88.75 0.02 11.51 0.17 0.02 0.01 0.01 0.00 87.61 0.67 104 L C C 51.54 17.39 13.30 29.85 112.29 -145.21 -88.38 125.41 98.85 1.14 0.00 98.99 0.05 0.01 0.00 0.00 0.00 0.94 0.01