# 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 105.66 6.15 13.61 20.94 112.86 -169.62 -92.19 124.42 99.90 0.05 0.05 99.83 0.07 0.05 0.03 0.00 0.00 0.02 0.01 1 K C C 117.20 5.02 13.06 19.41 107.78 -141.82 -81.46 109.09 67.13 4.50 28.37 63.22 1.08 3.53 25.65 2.26 0.00 2.92 1.35 2 L H H 73.95 8.79 12.42 22.38 96.74 74.24 -69.58 -33.86 27.53 4.56 67.90 18.12 4.60 6.84 57.35 8.68 0.04 3.67 0.70 3 I H H 65.58 11.84 11.57 23.71 97.53 56.05 -76.61 -24.77 17.08 4.24 78.68 10.13 2.94 5.22 63.11 14.28 0.03 3.87 0.42 4 E H H 115.49 3.83 15.03 19.76 97.08 61.54 -73.30 -28.08 15.76 3.24 81.00 8.13 2.85 5.52 65.13 15.08 0.02 2.89 0.37 5 D H H 83.78 4.47 15.37 20.73 98.32 53.97 -82.81 -17.38 23.33 3.83 72.85 11.50 4.47 8.77 60.76 10.60 0.05 3.27 0.58 6 I H H 49.16 13.36 11.42 25.22 108.52 77.31 -89.01 92.10 40.33 4.63 55.04 24.10 9.29 8.75 49.82 3.88 0.05 2.85 1.26 7 T C H 56.97 6.70 15.31 23.30 113.74 55.95 -86.00 158.48 51.34 2.32 46.34 37.38 6.86 6.97 43.95 2.83 0.01 1.27 0.73 8 K H H 123.47 6.10 14.09 21.44 94.74 -99.03 -64.27 -35.50 23.30 0.89 75.81 9.04 4.79 10.31 62.75 12.18 0.07 0.55 0.31 9 E H H 123.63 2.42 15.91 18.61 93.87 54.38 -68.36 -35.43 22.08 0.87 77.05 5.80 3.69 12.31 62.84 14.43 0.08 0.58 0.27 10 Q H H 78.11 8.34 14.08 23.51 95.05 50.56 -74.42 -26.12 24.76 2.21 73.02 7.09 4.30 13.40 58.85 14.20 0.10 1.61 0.46 11 L H H 53.63 13.82 11.90 25.76 97.47 62.51 -77.31 -19.62 42.78 2.61 54.60 22.57 10.03 12.96 44.08 7.80 0.08 1.40 1.07 12 R C C 129.03 6.70 14.63 22.49 101.06 71.23 -81.02 5.68 62.64 3.69 33.67 41.63 8.00 12.98 26.64 7.05 0.02 2.03 1.66 13 T C C 86.04 5.23 14.05 20.48 104.55 104.56 -88.26 -2.55 75.42 2.41 22.17 39.82 17.69 18.37 15.14 6.63 0.02 1.20 1.13 14 D C C 104.10 3.73 16.16 21.00 105.72 31.33 -93.01 66.13 88.46 1.71 9.83 55.36 15.84 17.51 4.69 4.81 0.00 0.87 0.92 15 L C C 47.96 17.70 10.56 27.27 118.66 139.25 -90.19 137.39 98.88 0.88 0.23 75.72 22.68 0.51 0.10 0.10 0.00 0.31 0.57 16 P C C 49.22 10.02 17.14 28.32 115.48 -106.65 -67.38 151.63 99.41 0.34 0.25 92.68 4.57 2.21 0.05 0.19 0.00 0.18 0.12 17 A C C 67.67 6.86 21.56 28.91 112.91 -107.70 -75.25 137.18 98.21 1.53 0.26 85.70 9.95 2.51 0.04 0.30 0.00 0.64 0.86 18 F C C 15.77 24.06 11.11 34.73 122.70 -148.77 -106.61 141.43 95.03 4.90 0.07 91.52 3.21 0.13 0.03 0.03 0.00 0.89 4.18 19 R C C 124.84 3.68 24.42 28.34 129.56 -163.17 -120.07 156.10 99.86 0.13 0.01 99.49 0.40 0.02 0.00 0.00 0.00 0.03 0.06 20 P C T 69.62 11.95 15.19 27.61 110.52 -82.29 -59.22 136.66 99.81 0.11 0.09 0.17 1.27 98.45 0.00 0.04 0.00 0.04 0.03 21 G C T 39.55 5.13 19.84 26.06 96.42 26.50 91.01 -6.98 99.91 0.05 0.04 0.25 1.33 98.36 0.00 0.03 0.00 0.03 0.00 22 D C C 33.28 12.94 16.36 30.76 118.93 131.32 -71.75 149.33 93.48 6.51 0.01 92.39 1.22 0.02 0.00 0.00 0.00 6.22 0.14 23 T E E 53.29 9.97 22.36 32.93 119.78 -133.32 -103.18 133.59 1.42 98.58 0.00 1.48 0.02 0.00 0.00 0.00 0.00 98.35 0.14 24 L E E 5.99 24.41 15.86 40.75 127.54 -170.32 -123.34 143.15 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 25 R E E 94.62 8.16 25.65 34.28 116.16 -136.83 -100.45 127.12 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 26 V E E 3.70 25.65 15.94 42.62 121.07 -165.72 -113.06 131.84 0.26 99.74 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 27 H E E 55.42 9.24 25.15 35.16 120.33 -163.38 -113.00 130.78 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 28 V E E 10.25 22.11 16.25 38.66 123.64 -167.83 -120.25 133.40 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 29 K E E 77.71 8.12 22.23 31.09 116.96 -151.72 -103.30 127.04 0.44 99.56 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.00 30 V E E 22.24 16.55 13.54 30.81 124.08 -169.92 -117.09 140.10 1.16 98.84 0.00 0.99 0.05 0.00 0.00 0.00 0.00 98.94 0.01 31 V E E 70.22 6.31 14.27 22.52 116.15 -141.36 -105.49 126.70 5.08 94.90 0.02 4.19 0.47 0.06 0.00 0.01 0.00 95.15 0.11 32 E E E 98.02 6.19 9.94 18.01 114.84 -177.73 -125.73 111.14 17.04 82.50 0.46 9.31 4.65 3.20 0.05 0.47 0.00 81.87 0.45 33 G C T 63.85 0.52 12.13 11.44 108.72 -45.02 62.31 -125.54 99.06 0.33 0.61 1.56 10.96 86.43 0.02 0.72 0.00 0.25 0.06 34 N C T 149.35 0.31 10.38 9.14 96.71 -24.68 -88.82 2.98 99.21 0.27 0.52 1.54 12.34 85.25 0.02 0.61 0.00 0.20 0.04 35 R E E 144.86 2.25 10.14 14.21 122.44 92.53 -106.94 143.48 14.37 85.56 0.06 9.32 4.72 0.65 0.01 0.06 0.00 84.81 0.44 36 E E E 116.37 6.43 9.95 18.44 119.70 -146.01 -102.68 134.97 6.26 93.73 0.01 5.39 0.27 0.03 0.00 0.00 0.00 94.26 0.04 37 R E E 102.33 6.17 14.38 22.43 128.62 -177.22 -129.61 147.54 1.79 98.21 0.00 1.58 0.06 0.00 0.00 0.00 0.00 98.34 0.01 38 I E E 87.18 9.73 14.32 25.23 118.36 -135.52 -100.62 131.42 0.73 99.27 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.30 0.00 39 Q E E 55.11 11.87 16.56 29.50 129.37 -174.86 -128.46 146.37 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 40 I E E 74.16 10.38 19.83 30.89 117.42 -134.57 -98.78 130.46 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 41 F E E 14.78 20.77 16.61 37.62 129.37 -174.53 -126.32 148.19 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 42 E E E 72.64 10.85 25.43 36.33 123.43 -147.44 -114.07 138.22 0.47 99.53 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 43 G E E 3.99 18.91 22.45 41.44 145.02 123.91 -165.85 -172.91 1.00 99.00 0.00 0.71 0.08 0.00 0.00 0.00 0.00 99.20 0.00 44 V E E 31.49 12.92 26.27 40.25 122.57 -72.05 -111.74 136.54 0.30 99.70 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 45 V E E 6.34 24.23 17.99 43.21 109.46 -117.82 -75.50 124.22 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 46 I E E 42.93 12.61 23.45 36.74 100.79 174.03 -99.07 -31.21 0.52 99.48 0.00 0.37 0.06 0.00 0.00 0.00 0.00 99.56 0.00 47 K E E 79.31 6.90 25.35 33.23 141.87 -0.85 -157.12 152.07 0.40 99.60 0.00 0.30 0.03 0.00 0.00 0.00 0.00 99.66 0.00 48 R E E 77.81 19.64 13.80 32.02 125.18 -157.86 -126.70 132.36 2.06 97.93 0.00 1.95 0.07 0.00 0.00 0.00 0.00 97.88 0.09 49 R E E 123.55 5.44 18.37 24.90 123.70 -173.15 -123.51 140.78 28.50 71.45 0.04 23.78 3.52 0.31 0.01 0.04 0.00 71.86 0.48 50 G C C 50.26 3.01 15.24 19.29 120.43 10.44 95.08 -168.00 79.21 20.67 0.12 49.36 25.89 2.53 0.01 0.15 0.00 21.54 0.52 51 G C C 51.44 4.04 12.65 18.35 123.13 99.05 -145.56 161.37 90.00 9.68 0.32 46.58 39.91 3.90 0.04 0.36 0.00 7.63 1.57 52 G C S 49.29 2.33 14.75 17.78 120.22 0.73 83.29 -154.25 94.82 2.57 2.61 6.63 71.49 17.03 0.19 2.19 0.00 1.50 0.96 53 I C T 121.84 5.03 13.77 19.91 94.53 -34.16 -74.70 -21.19 94.81 0.97 4.23 2.71 38.65 52.98 0.13 4.63 0.00 0.59 0.30 54 S C T 56.62 7.98 15.73 24.61 100.93 50.09 -97.53 9.42 85.70 10.71 3.59 13.90 25.85 45.04 0.11 4.62 0.00 9.90 0.59 55 E C C 41.62 13.92 15.25 30.13 118.59 116.18 -90.57 140.13 63.56 35.85 0.60 58.32 3.16 0.74 0.06 0.51 0.00 36.78 0.43 56 T E E 32.02 12.18 21.79 34.76 130.36 -170.68 -127.00 149.81 7.77 92.22 0.01 6.95 0.44 0.02 0.00 0.01 0.00 92.40 0.18 57 F E E 11.00 22.32 18.95 41.51 124.96 -155.86 -115.84 138.34 0.46 99.54 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 58 T E E 21.70 12.82 25.29 39.17 120.93 -155.30 -113.68 134.31 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 59 V E E 4.99 23.81 19.33 43.66 121.91 -164.77 -114.28 133.33 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 60 R E E 61.71 13.02 23.45 36.50 124.05 -166.57 -115.21 136.13 0.51 99.49 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.53 0.01 61 K E E 49.53 14.73 18.44 33.34 127.94 -167.70 -121.35 144.06 1.47 98.52 0.00 1.20 0.11 0.01 0.00 0.00 0.00 98.66 0.02 62 I E E 65.76 10.84 16.12 28.11 116.46 -140.77 -104.07 125.09 5.30 94.67 0.03 4.38 0.61 0.07 0.01 0.02 0.00 94.79 0.13 63 S E E 44.70 8.80 11.91 22.42 126.64 168.58 -135.67 138.38 11.94 87.84 0.21 8.57 2.74 0.81 0.05 0.16 0.00 86.83 0.85 64 Y C T 198.29 1.13 13.88 14.79 93.68 -14.43 50.43 45.29 98.72 0.87 0.41 0.99 8.73 89.08 0.02 0.39 0.00 0.67 0.12 65 G C T 59.26 2.04 13.32 15.88 95.52 -47.39 82.24 0.16 99.40 0.35 0.25 0.95 8.80 89.67 0.01 0.26 0.00 0.27 0.05 66 V E E 72.77 6.27 14.40 22.40 122.69 103.03 -113.87 134.85 7.87 92.07 0.06 5.16 2.14 0.33 0.01 0.04 0.00 91.92 0.39 67 G E E 25.80 13.27 13.78 27.43 121.15 -144.11 -94.61 146.82 3.02 96.98 0.01 2.38 0.28 0.02 0.00 0.00 0.00 97.28 0.03 68 V E E 39.04 12.15 18.56 32.01 124.38 -166.00 -124.48 135.87 0.92 99.07 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.13 0.01 69 E E E 77.00 14.67 17.90 32.21 122.80 -158.73 -113.06 133.96 0.75 99.25 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.34 0.00 70 R E E 70.02 13.29 20.29 33.70 130.35 -174.97 -132.42 144.23 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 71 T E E 56.19 13.49 20.95 34.13 121.62 -148.56 -112.30 131.87 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 72 F E E 18.27 19.82 18.25 38.24 127.73 -175.72 -129.10 139.72 0.86 99.14 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.17 0.02 73 P E E 43.40 8.89 24.02 33.76 112.94 -109.52 -67.06 143.48 9.02 90.96 0.02 7.83 0.68 0.12 0.00 0.02 0.00 91.10 0.25 74 V C T 21.89 22.19 16.39 37.99 93.33 -117.62 -62.56 -27.70 93.64 5.27 1.08 9.80 14.68 69.04 0.10 1.15 0.00 4.76 0.46 75 H C T 94.12 9.75 22.36 32.55 95.02 58.81 -87.71 4.43 97.24 1.99 0.77 9.39 17.89 69.76 0.06 0.95 0.00 1.56 0.39 76 T C C 20.57 17.69 14.72 33.02 112.52 123.90 -73.02 132.32 96.68 2.72 0.60 63.33 32.55 1.03 0.15 0.47 0.00 1.31 1.15 77 P C T 78.44 6.75 21.17 28.89 92.91 -126.44 -64.97 -21.08 94.25 1.63 4.12 5.00 15.66 73.77 1.25 2.78 0.03 1.12 0.38 78 K C T 71.83 13.00 19.81 32.65 95.27 61.28 -84.13 -4.50 86.15 10.05 3.80 7.07 9.10 70.21 1.15 2.71 0.02 9.19 0.56 79 I E E 11.10 24.41 12.54 36.89 110.34 105.76 -83.36 118.28 8.74 89.67 1.59 8.08 0.61 0.17 1.03 0.42 0.00 88.92 0.78 80 A E E 53.30 6.52 22.56 29.67 99.75 176.29 -90.58 -34.35 7.79 91.37 0.83 5.95 1.13 0.25 0.43 0.21 0.00 91.93 0.09 81 K E E 90.73 5.50 25.01 31.37 140.45 -0.61 -154.15 151.48 2.32 97.45 0.24 1.72 0.22 0.07 0.07 0.06 0.00 97.84 0.02 82 I E E 18.50 24.47 13.23 37.43 124.00 -160.63 -126.74 129.65 1.53 98.28 0.19 1.40 0.06 0.02 0.11 0.03 0.00 98.36 0.02 83 E E E 85.05 5.85 25.53 31.62 122.17 -170.35 -121.17 131.85 1.32 98.53 0.15 1.19 0.05 0.02 0.10 0.02 0.00 98.61 0.02 84 V E E 44.19 18.33 14.58 32.49 111.82 -134.64 -86.00 122.75 3.47 96.35 0.18 3.33 0.11 0.04 0.12 0.04 0.00 96.27 0.08 85 V E E 66.16 7.66 19.12 27.88 101.92 175.92 -98.27 -30.75 16.83 82.56 0.61 14.69 1.52 0.39 0.31 0.25 0.00 82.56 0.27 86 R E E 110.01 6.04 19.83 26.98 137.07 0.17 -149.96 148.75 28.50 70.49 1.01 23.81 3.82 0.89 0.46 0.50 0.00 69.96 0.56 87 Y C C 115.45 13.37 13.81 27.10 122.29 -155.55 -115.97 134.09 58.02 40.43 1.56 48.10 6.54 1.86 0.59 0.81 0.00 41.12 0.98 88 G C C 27.74 9.02 15.26 25.21 130.96 161.97 -134.48 173.48 84.75 11.57 3.68 55.17 23.80 5.87 2.09 1.54 0.00 10.36 1.15 89 K C C 147.82 2.74 17.89 21.20 109.74 -75.10 -89.42 123.73 83.09 8.26 8.65 60.98 17.02 5.03 6.43 2.52 0.00 6.44 1.58 90 V C C 52.32 15.24 10.63 25.39 117.33 -156.01 -98.55 132.65 74.32 7.03 18.65 61.26 7.88 4.77 14.63 4.55 0.01 5.16 1.73 91 R C C 134.01 5.69 16.37 23.09 113.29 -156.64 -94.53 126.45 72.69 5.60 21.71 56.92 9.42 5.88 16.51 5.86 0.01 4.00 1.42 92 R C C 125.76 8.90 15.33 24.73 103.19 -116.22 -80.09 -4.52 60.51 6.24 33.25 41.70 11.06 7.57 23.61 9.99 0.03 4.73 1.30 93 A C C 45.43 11.04 14.43 26.06 103.61 68.62 -76.19 -9.13 57.90 5.94 36.16 40.62 9.16 7.50 25.20 11.64 0.02 4.96 0.90 94 K C C 103.27 8.32 18.00 26.69 102.52 70.58 -80.35 13.37 53.07 8.28 38.65 37.27 8.01 7.48 26.92 12.13 0.02 7.10 1.06 95 L H H 39.97 16.61 14.15 30.33 97.74 69.70 -77.82 -15.67 40.23 10.20 49.57 30.25 5.16 5.03 33.62 15.96 0.02 9.05 0.92 96 Y H H 100.11 8.98 18.17 27.78 94.51 78.44 -68.87 -32.24 27.98 10.55 61.48 13.96 5.19 9.08 36.89 24.42 0.06 9.63 0.77 97 Y H H 88.19 9.49 17.84 28.04 96.57 56.08 -75.59 -18.21 27.07 13.24 59.69 12.70 4.83 10.07 34.02 25.65 0.10 11.64 0.98 98 L H H 34.26 17.10 13.68 30.52 97.29 65.42 -78.93 -14.21 23.93 13.29 62.77 14.57 4.07 6.23 33.19 29.35 0.06 11.54 0.99 99 R H H 115.34 9.13 15.96 25.95 93.78 82.48 -67.11 -29.62 37.18 11.27 51.55 11.18 6.21 19.38 27.85 24.07 0.33 9.61 1.36 100 E C T 129.42 3.10 18.05 21.24 98.48 49.17 -91.62 4.35 52.98 6.91 40.11 13.92 8.87 29.50 18.98 21.75 0.15 5.69 1.13 101 L C C 46.19 16.26 8.82 24.35 112.83 116.49 -78.74 132.24 78.81 4.90 16.29 60.99 11.88 5.53 12.40 4.43 0.00 3.37 1.41 102 R C C 161.80 2.82 15.84 19.66 114.66 -163.25 -99.63 134.96 76.58 4.04 19.38 46.38 14.48 14.26 17.91 3.15 0.02 2.34 1.48 103 G C H 37.56 4.37 16.28 21.43 121.09 10.92 94.43 -171.01 67.45 1.80 30.75 21.24 25.78 19.98 27.49 3.83 0.05 0.88 0.76 104 K H H 119.81 6.35 14.99 22.46 94.47 -53.61 -66.03 -35.02 21.08 1.10 77.83 8.96 5.42 8.28 69.06 7.13 0.07 0.78 0.30 105 A H H 45.86 7.85 14.33 23.70 92.19 55.29 -64.75 -38.53 15.23 2.11 82.66 7.26 2.76 6.15 73.15 8.41 0.05 1.88 0.33 106 A H H 38.58 6.17 14.88 23.00 92.64 53.01 -65.62 -38.53 12.84 3.34 83.82 7.64 2.09 4.09 74.33 8.24 0.03 3.24 0.33 107 R H H 111.00 5.77 16.67 23.37 92.82 52.89 -67.68 -37.17 14.90 4.68 80.42 9.52 2.54 4.35 73.05 5.61 0.04 4.34 0.54 108 I H H 59.25 9.58 13.89 24.80 94.17 53.61 -67.54 -38.37 16.84 4.58 78.59 11.13 2.73 4.33 72.67 4.36 0.04 4.16 0.58 109 K H H 112.30 4.67 15.31 20.96 94.57 55.08 -68.76 -35.94 21.06 4.26 74.68 13.30 3.26 5.65 68.80 4.61 0.04 3.72 0.62 110 E H H 108.98 4.05 13.82 18.94 96.12 55.95 -71.68 -28.75 28.14 3.65 68.22 15.65 4.51 8.92 62.19 5.09 0.05 2.92 0.67 111 I H H 87.91 7.63 10.85 19.62 98.30 59.84 -76.29 -22.45 39.12 3.47 57.42 21.33 6.60 12.09 52.48 4.21 0.05 2.38 0.87 112 R C C 146.84 4.48 10.81 16.84 102.40 64.31 -83.17 15.16 61.33 2.24 36.43 42.31 1.71 15.54 35.70 2.52 0.00 1.39 0.83 113 R C C 156.92 3.55 12.23 17.34 104.76 99.96 -81.45 42.72 99.78 0.05 0.17 99.55 0.08 0.18 0.15 0.01 0.00 0.03 0.00