# 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 G C C 39.83 5.48 13.68 20.19 112.68 64.21 -79.04 -38.32 99.72 0.05 0.22 99.57 0.11 0.10 0.18 0.01 0.00 0.02 0.01 1 S C C 70.18 3.45 12.18 16.67 104.56 45.69 -79.47 -25.38 56.49 0.40 43.11 50.21 1.33 4.01 42.93 1.18 0.00 0.16 0.18 2 R H H 132.07 5.24 11.20 17.75 95.57 58.17 -68.65 -35.78 27.26 0.40 72.34 16.84 4.78 6.15 69.62 2.27 0.00 0.17 0.16 3 R H H 135.78 3.57 13.16 17.89 93.23 57.25 -65.62 -39.31 20.38 0.47 79.15 13.40 3.17 4.76 75.32 2.94 0.00 0.23 0.17 4 K H H 120.40 2.27 15.44 17.89 92.67 51.50 -66.37 -39.65 15.16 0.47 84.37 9.86 2.47 3.89 80.27 3.11 0.00 0.25 0.16 5 A H H 44.31 6.78 14.15 22.53 92.57 50.83 -66.15 -38.97 15.36 0.48 84.17 9.55 2.41 4.25 80.48 2.87 0.01 0.25 0.16 6 R H H 96.64 9.81 15.01 25.49 93.04 51.67 -65.20 -39.01 17.21 0.48 82.31 8.93 2.93 6.25 78.32 3.12 0.02 0.25 0.18 7 R H H 128.75 3.85 17.75 22.14 92.50 52.73 -65.18 -39.66 17.36 0.38 82.26 8.09 2.83 7.31 77.27 4.13 0.02 0.20 0.15 8 A H H 47.88 5.34 17.28 23.72 92.28 52.29 -65.14 -39.60 14.30 0.29 85.41 6.24 2.18 6.13 75.53 9.64 0.02 0.18 0.09 9 H H H 59.99 14.06 15.30 29.29 92.90 51.81 -68.45 -34.04 16.55 0.35 83.10 5.31 2.17 8.50 67.44 16.21 0.03 0.22 0.12 10 F H H 88.84 11.29 15.82 27.40 93.90 55.85 -72.92 -22.13 25.48 0.48 74.04 5.63 3.67 15.34 61.14 13.66 0.08 0.26 0.22 11 Q H H 128.38 2.51 18.83 21.20 97.06 53.40 -90.66 -3.89 47.89 0.82 51.29 11.42 10.06 27.63 42.61 7.29 0.10 0.33 0.55 12 A C S 25.99 15.20 8.97 24.24 118.40 111.25 -74.54 149.01 98.88 0.27 0.85 27.60 70.51 0.75 0.80 0.09 0.00 0.07 0.19 13 P C C 70.93 3.64 17.42 21.47 113.55 -99.88 -64.50 148.30 94.65 0.51 4.84 92.10 1.57 1.23 4.19 0.45 0.00 0.15 0.32 14 S H H 66.09 8.81 12.59 22.50 93.10 -112.55 -59.32 -35.61 22.75 0.28 76.96 8.43 5.08 9.88 68.34 7.96 0.03 0.12 0.14 15 H H H 128.24 2.63 17.62 20.46 92.05 57.52 -65.34 -34.77 15.92 0.35 83.73 4.70 2.63 8.65 74.76 8.90 0.04 0.20 0.12 16 V H H 47.28 10.06 16.63 27.75 92.77 51.04 -67.97 -38.20 9.80 0.65 89.54 5.06 1.51 3.62 80.26 8.93 0.01 0.48 0.13 17 R H H 50.31 18.35 15.58 33.17 91.71 55.08 -62.95 -41.79 5.86 0.58 93.55 3.48 0.87 1.97 88.02 5.10 0.01 0.45 0.10 18 R H H 105.82 10.60 19.97 30.58 91.39 53.43 -63.18 -40.47 5.36 1.36 93.28 2.59 0.75 2.33 86.28 6.69 0.02 1.22 0.13 19 I H H 76.56 8.04 22.60 30.80 91.87 50.51 -65.66 -39.95 5.11 1.80 93.08 2.07 0.66 2.51 86.06 6.77 0.02 1.78 0.12 20 L H H 27.51 19.10 20.22 38.43 92.32 50.43 -67.81 -36.80 9.41 2.15 88.44 2.90 1.24 5.22 82.16 6.32 0.06 1.83 0.26 21 M H H 24.49 21.06 19.82 40.14 94.69 52.34 -83.61 -15.51 31.25 6.49 62.25 7.76 4.89 18.97 56.64 5.18 0.35 4.83 1.38 22 S C H 44.53 11.96 22.83 34.85 100.55 72.56 -90.87 -0.64 48.68 25.28 26.04 19.17 9.65 20.32 22.44 4.56 0.59 17.59 5.67 23 A C C 19.66 17.32 17.21 34.65 119.40 120.40 -79.49 146.63 62.45 37.06 0.49 42.04 21.32 0.82 0.28 0.24 0.00 32.98 2.33 24 P E E 76.33 6.69 23.66 30.72 114.09 -102.88 -67.36 145.52 40.25 59.38 0.37 37.68 2.04 0.30 0.29 0.15 0.00 48.02 11.52 25 L C C 18.70 23.28 11.29 33.81 118.46 -128.84 -89.43 142.44 65.05 34.67 0.28 61.67 3.65 0.24 0.20 0.12 0.00 20.25 13.87 26 S C C 35.74 7.90 17.14 26.76 116.21 -106.07 -68.30 152.56 95.14 4.58 0.28 94.91 0.98 0.12 0.20 0.04 0.00 3.05 0.71 27 K H H 149.03 2.48 15.37 19.22 91.35 -113.82 -59.72 -36.77 2.88 0.01 97.10 0.36 0.43 1.88 96.32 1.00 0.00 0.00 0.00 28 E H H 121.05 1.72 17.39 18.43 91.58 54.28 -64.46 -39.76 2.13 0.03 97.85 0.31 0.22 1.53 96.45 1.46 0.01 0.01 0.00 29 L H H 17.66 16.23 12.12 29.03 92.24 48.31 -66.86 -40.36 1.39 0.04 98.57 0.33 0.16 0.88 96.38 2.20 0.00 0.03 0.00 30 R H H 73.60 13.39 11.91 25.55 91.78 53.71 -63.16 -41.02 1.54 0.04 98.42 0.38 0.17 0.92 97.25 1.24 0.00 0.02 0.01 31 A H H 82.97 1.12 16.84 16.59 92.43 50.27 -66.07 -38.63 6.61 0.06 93.33 0.65 0.43 5.61 91.19 2.04 0.03 0.03 0.02 32 K H H 129.11 2.86 15.49 19.06 93.37 47.34 -71.56 -36.55 11.50 0.04 88.46 0.54 0.67 10.20 87.47 1.07 0.02 0.01 0.02 33 Y H H 64.87 13.76 11.41 25.41 101.27 29.61 -108.41 3.44 33.06 0.26 66.68 4.60 6.96 21.51 65.52 1.10 0.05 0.08 0.19 34 N C T 128.80 1.47 19.30 20.11 93.59 -123.93 56.83 41.12 98.48 0.64 0.88 38.18 9.74 50.81 0.34 0.38 0.00 0.37 0.17 35 V C C 33.97 16.65 11.04 27.47 123.94 134.15 -116.98 143.81 90.12 7.46 2.42 83.22 5.20 1.74 0.46 2.12 0.00 5.17 2.09 36 R C C 135.53 6.00 20.28 27.10 100.96 -161.71 -92.81 -16.60 88.76 8.84 2.40 68.47 17.83 2.47 0.26 2.20 0.00 7.82 0.94 37 A C C 38.17 14.10 19.49 33.23 133.89 18.93 -140.94 147.56 67.40 30.48 2.13 58.82 6.93 1.74 0.20 1.96 0.00 26.93 3.43 38 M E E 31.49 18.41 19.14 37.28 127.03 -164.51 -128.99 135.03 47.63 52.33 0.03 44.48 3.85 0.10 0.01 0.03 0.00 48.73 2.80 39 P E E 46.81 11.24 25.33 36.95 112.97 -116.95 -71.03 140.09 45.06 54.90 0.04 38.51 6.95 0.07 0.01 0.02 0.00 50.26 4.17 40 V C C 3.01 26.79 14.49 42.28 123.37 -151.91 -110.59 140.54 76.09 23.87 0.03 78.02 1.09 0.02 0.02 0.01 0.00 12.05 8.80 41 R C C 100.09 6.93 25.45 32.59 128.74 -154.19 -113.60 153.76 94.80 5.16 0.03 95.61 0.43 0.03 0.01 0.01 0.00 1.73 2.18 42 K C T 93.62 13.58 16.79 29.86 109.09 -92.33 -63.73 140.96 99.37 0.46 0.17 0.22 1.73 97.64 0.00 0.11 0.00 0.22 0.08 43 D C T 100.82 3.82 21.70 26.10 93.98 22.75 73.62 5.41 99.81 0.12 0.06 0.24 1.89 97.73 0.00 0.06 0.00 0.08 0.01 44 D C C 27.01 16.21 14.85 31.82 117.77 136.28 -72.53 144.66 97.03 2.95 0.02 94.51 2.62 0.06 0.00 0.03 0.00 2.67 0.11 45 E E E 84.39 8.07 24.88 33.40 115.03 -122.18 -85.58 132.17 5.42 94.58 0.01 5.73 0.10 0.00 0.00 0.00 0.00 92.75 1.41 46 V E E 2.97 26.20 16.04 43.12 131.95 -174.85 -131.45 151.38 0.69 99.31 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.28 0.02 47 R E E 78.19 9.32 26.69 36.88 120.49 -138.78 -111.99 133.16 0.56 99.44 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.38 0.04 48 V E E 11.41 22.04 15.42 38.09 109.27 -121.43 -75.77 124.35 8.46 91.48 0.05 8.73 0.26 0.03 0.01 0.03 0.00 89.98 0.96 49 K C C 76.16 8.93 20.88 30.84 99.99 176.10 -98.60 -28.80 92.06 7.57 0.36 60.90 27.35 3.30 0.02 0.47 0.00 7.51 0.44 50 R C S 113.13 3.93 21.71 26.32 138.46 8.55 -150.54 154.32 96.87 2.74 0.39 7.71 81.12 8.34 0.02 0.38 0.00 1.74 0.70 51 G C S 36.87 4.49 18.40 24.01 127.01 33.51 89.98 -159.20 95.88 1.25 2.87 4.38 82.92 9.05 0.34 1.86 0.00 0.47 0.98 52 A C T 79.61 4.05 18.56 23.70 92.48 -45.77 -70.50 -22.21 93.35 0.41 6.25 0.70 18.76 73.09 0.14 6.87 0.00 0.19 0.24 53 Y C T 41.51 17.58 12.25 30.03 97.31 50.99 -101.47 10.89 95.00 0.66 4.33 2.50 12.18 79.25 0.18 5.20 0.00 0.38 0.30 54 K C T 108.47 9.12 14.28 25.21 111.39 131.80 -60.71 133.20 98.52 0.66 0.82 1.08 1.72 95.94 0.07 0.59 0.00 0.29 0.31 55 G C T 52.55 3.06 19.35 22.83 93.52 20.80 85.11 -2.56 99.35 0.34 0.31 0.77 2.21 96.43 0.01 0.29 0.00 0.26 0.03 56 R C C 90.32 10.68 17.52 29.05 120.80 124.96 -85.20 145.98 97.01 2.93 0.07 91.39 5.15 0.40 0.01 0.08 0.00 2.73 0.23 57 E E E 97.34 10.42 20.52 31.58 125.59 -147.90 -110.01 143.10 6.79 93.19 0.02 6.66 0.33 0.02 0.01 0.01 0.00 86.14 6.84 58 G E E 8.83 14.96 20.67 36.25 143.65 140.99 -164.10 -173.75 2.94 97.06 0.00 2.40 0.45 0.01 0.00 0.00 0.00 97.07 0.07 59 K E E 89.55 7.85 26.00 34.77 122.64 -82.10 -106.92 140.38 1.51 98.49 0.00 1.38 0.06 0.00 0.00 0.00 0.00 98.49 0.07 60 V E E 6.12 24.94 14.83 40.83 109.27 -114.22 -74.81 126.00 3.69 96.31 0.00 3.79 0.05 0.00 0.00 0.00 0.00 96.07 0.09 61 T E E 53.13 8.22 23.81 32.93 101.33 175.11 -99.95 -29.80 11.44 88.56 0.01 6.67 4.30 0.05 0.00 0.00 0.00 88.94 0.03 62 A E E 38.54 8.01 26.05 35.30 140.86 -0.56 -157.03 151.24 1.32 98.68 0.00 0.91 0.17 0.01 0.00 0.00 0.00 98.90 0.01 63 C E E 14.00 23.35 15.45 38.52 124.50 -161.62 -128.58 130.92 0.73 99.27 0.01 0.61 0.03 0.00 0.00 0.00 0.00 99.33 0.01 64 Y E E 57.05 8.93 21.06 31.65 110.07 -158.55 -108.99 109.07 1.69 98.30 0.02 1.55 0.10 0.01 0.01 0.01 0.00 98.09 0.24 65 R C T 98.01 13.89 15.13 29.14 94.18 -174.70 -67.47 -32.48 78.97 3.17 17.87 1.73 3.86 72.30 0.27 18.97 0.00 2.65 0.22 66 L C T 121.16 2.24 18.24 20.63 92.56 53.66 -67.94 -36.26 81.76 0.50 17.73 1.17 2.85 75.69 0.29 19.56 0.00 0.34 0.11 67 R C T 124.15 4.81 18.76 23.93 97.22 33.02 -97.21 -6.76 84.88 0.16 14.95 1.04 2.40 78.79 0.21 17.42 0.00 0.10 0.04 68 W C T 68.37 15.46 16.64 32.66 94.92 -127.32 58.41 42.90 98.96 0.62 0.43 3.01 2.63 93.40 0.04 0.31 0.00 0.56 0.05 69 V E E 22.00 14.13 22.77 37.91 131.44 136.46 -126.83 149.93 1.75 98.24 0.00 1.45 0.11 0.01 0.00 0.00 0.00 98.36 0.06 70 I E E 2.99 25.49 20.10 46.57 118.61 -142.47 -109.73 129.26 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 71 H E E 35.79 12.30 26.79 40.12 116.43 -154.77 -105.06 126.37 0.12 99.88 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 72 I E E 5.60 24.35 17.19 42.15 119.40 -167.95 -114.28 125.78 0.86 99.14 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.18 0.03 73 D E E 62.26 8.20 23.43 31.66 118.01 -146.52 -89.20 148.62 27.75 72.14 0.10 13.22 9.78 2.94 0.00 0.11 0.00 73.79 0.15 74 K C E 108.71 6.92 22.79 29.87 96.99 7.11 53.17 58.89 50.32 49.51 0.18 16.98 26.00 5.85 0.01 0.19 0.00 50.71 0.26 75 V E E 17.11 21.68 12.84 33.91 115.89 168.63 -91.38 131.54 45.31 54.39 0.30 40.00 4.01 0.69 0.05 0.24 0.00 54.36 0.65 76 N E E 70.04 8.00 20.80 29.20 122.70 -154.65 -112.28 138.75 24.39 75.32 0.29 21.01 2.34 0.66 0.06 0.20 0.00 75.00 0.73 77 R E E 88.42 12.89 13.77 26.99 127.74 -172.28 -125.54 144.87 12.34 87.42 0.23 10.44 1.55 0.32 0.06 0.14 0.00 86.86 0.64 78 E E E 107.85 5.39 13.95 20.96 117.32 -135.81 -102.11 130.94 12.98 86.79 0.23 11.42 1.22 0.26 0.09 0.13 0.00 85.08 1.81 79 K C C 88.12 7.22 9.78 18.71 121.37 -142.44 -89.69 159.82 56.49 43.09 0.42 51.57 2.57 0.65 0.09 0.27 0.00 44.05 0.81 80 A C T 88.87 2.51 9.12 13.26 94.00 -101.13 -63.40 -24.32 65.00 31.86 3.14 19.23 12.08 34.53 0.30 2.84 0.01 29.54 1.47 81 N C T 131.83 0.73 10.26 10.55 96.04 53.41 -86.86 3.53 95.79 1.77 2.44 15.54 13.90 65.93 0.18 2.69 0.00 1.46 0.29 82 G C S 53.23 2.50 10.05 13.99 98.37 -99.03 85.93 3.22 94.98 2.35 2.67 24.06 42.73 27.95 0.17 2.94 0.00 1.78 0.37 83 T C C 76.96 2.88 11.49 15.97 118.92 131.41 -83.10 146.01 68.85 31.00 0.15 60.44 5.30 0.73 0.02 0.13 0.00 32.61 0.76 84 T E E 82.02 7.30 11.20 20.26 118.00 -128.05 -96.30 134.26 12.78 87.18 0.03 11.39 1.06 0.10 0.01 0.02 0.00 86.30 1.11 85 V E E 55.85 8.66 14.83 25.34 125.17 -172.51 -125.79 138.46 6.50 93.49 0.01 5.86 0.35 0.02 0.00 0.00 0.00 93.46 0.30 86 P E E 73.77 8.91 17.13 26.88 113.79 -111.15 -69.36 139.55 11.05 88.94 0.01 10.30 0.47 0.04 0.00 0.01 0.00 88.67 0.52 87 V E E 28.66 17.03 16.38 33.53 127.67 -173.85 -126.89 141.92 45.00 54.98 0.02 41.68 1.89 0.10 0.00 0.02 0.00 55.88 0.43 88 G E E 24.29 11.55 23.16 34.80 118.34 -122.29 -81.05 146.38 39.12 60.86 0.02 32.19 6.15 0.11 0.00 0.02 0.00 59.96 1.57 89 V E E 8.08 23.89 16.36 40.52 123.41 -149.26 -115.42 137.14 19.77 80.22 0.01 20.07 1.12 0.02 0.01 0.01 0.00 48.54 30.24 90 H C C 72.96 8.23 25.62 34.29 112.41 -120.32 -80.12 133.38 95.27 4.72 0.01 95.65 0.44 0.01 0.00 0.00 0.00 3.74 0.15 91 P H G 31.31 20.57 15.18 35.36 91.28 -129.28 -59.19 -29.43 5.72 0.07 94.20 0.27 0.37 3.56 0.22 95.52 0.00 0.06 0.00 92 S H G 69.39 6.07 21.82 29.05 89.75 65.72 -70.22 -14.57 5.05 0.07 94.88 0.13 0.28 3.42 0.18 95.94 0.00 0.05 0.00 93 N H G 54.60 12.53 19.83 33.12 95.66 56.61 -97.72 2.45 5.90 0.22 93.88 0.61 0.68 2.98 0.25 95.30 0.00 0.17 0.00 94 V E E 6.79 25.45 13.02 38.69 122.88 89.60 -105.43 137.52 12.71 86.42 0.87 11.33 1.57 0.19 0.87 0.22 0.00 84.14 1.66 95 E E E 80.84 7.85 25.75 33.98 122.22 -166.02 -119.03 132.39 5.47 93.61 0.92 5.02 0.41 0.15 0.93 0.18 0.00 92.99 0.32 96 I E E 45.85 19.34 15.90 34.62 111.46 -130.35 -84.68 121.98 6.13 92.55 1.31 5.61 0.38 0.18 1.09 0.29 0.00 91.98 0.47 97 T E E 61.34 8.61 19.26 28.71 103.33 176.32 -98.94 -29.91 35.08 60.75 4.18 25.94 7.60 1.60 2.40 1.72 0.00 60.15 0.58 98 K C E 115.38 4.43 22.01 27.16 128.36 2.62 -145.95 136.45 49.76 45.08 5.16 35.41 12.55 2.20 2.20 2.79 0.00 43.94 0.92 99 L C C 46.67 20.82 12.03 31.27 118.33 -156.06 -99.84 131.31 62.53 26.71 10.77 50.79 7.60 4.06 3.76 6.39 0.00 25.81 1.58 100 K C C 112.63 4.99 21.87 27.22 116.03 -165.63 -108.61 125.75 75.68 14.45 9.87 60.33 9.89 5.30 4.02 5.90 0.01 11.95 2.60 101 L C C 56.02 16.66 11.65 27.61 115.65 -155.07 -100.09 126.00 84.57 6.09 9.34 67.17 12.64 4.69 5.17 4.28 0.00 4.25 1.79 102 N C C 66.24 6.34 14.72 22.46 120.18 -160.60 -97.76 160.63 89.63 0.82 9.55 76.85 9.08 3.07 8.91 1.36 0.00 0.39 0.35 103 H H H 148.08 1.92 14.40 16.95 92.23 -105.40 -61.14 -34.94 29.44 0.22 70.34 7.88 5.73 16.14 65.71 4.28 0.03 0.10 0.12 104 N H H 96.02 3.49 15.32 19.44 93.06 54.03 -69.02 -33.76 27.20 0.21 72.60 9.48 3.70 14.24 68.38 3.99 0.02 0.10 0.10 105 R H H 58.43 14.87 11.85 26.66 93.42 54.50 -66.53 -38.94 8.70 0.15 91.15 5.01 1.37 2.88 87.36 3.24 0.00 0.09 0.04 106 K H H 99.48 6.11 16.13 23.44 92.22 54.37 -63.68 -40.52 4.49 0.12 95.39 2.37 0.66 1.72 93.07 2.07 0.00 0.08 0.02 107 A H H 51.59 2.48 17.10 19.66 91.73 51.46 -64.05 -40.45 4.72 0.17 95.12 2.29 0.64 2.05 92.34 2.52 0.00 0.13 0.03 108 I H H 45.39 9.73 13.84 25.26 92.45 50.76 -65.71 -40.64 5.46 0.18 94.36 2.29 0.76 2.59 91.36 2.83 0.01 0.12 0.04 109 L H H 51.06 12.54 12.11 25.30 92.57 51.96 -67.20 -36.23 10.33 0.20 89.47 3.32 1.43 5.54 86.73 2.80 0.02 0.10 0.07 110 E H H 138.02 1.77 14.42 16.48 93.19 54.35 -71.96 -22.59 31.00 0.30 68.69 7.02 3.68 20.16 66.63 2.21 0.03 0.12 0.16 111 R C H 146.85 3.63 10.43 15.69 100.75 71.24 -79.87 1.09 62.65 0.38 36.96 32.70 2.13 25.60 37.60 1.60 0.00 0.15 0.22 112 K C C 139.86 4.56 12.61 18.88 105.42 -143.24 -78.67 86.39 99.91 0.02 0.07 99.75 0.07 0.12 0.05 0.00 0.00 0.01 0.00