# 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 M C C 93.26 10.58 15.29 26.32 113.84 -150.79 -93.01 122.90 99.90 0.10 0.00 99.81 0.13 0.01 0.00 0.00 0.00 0.04 0.01 1 I C C 86.58 8.16 15.80 25.13 118.13 -156.27 -101.56 128.45 96.25 3.69 0.06 95.04 1.44 0.16 0.02 0.02 0.00 1.77 1.55 2 P C T 62.75 11.17 14.19 26.08 112.88 -106.88 -65.25 144.34 95.84 3.40 0.77 19.83 12.96 63.00 0.08 0.82 0.00 2.77 0.54 3 G C T 28.18 11.02 16.93 28.19 114.01 20.76 97.71 -92.89 91.81 7.51 0.68 18.31 14.26 58.82 0.04 0.79 0.00 7.40 0.38 4 E C C 91.86 8.70 19.61 28.80 126.34 -107.74 -115.43 145.65 68.32 31.21 0.47 61.60 4.76 0.71 0.06 0.44 0.00 31.37 1.05 5 Y E E 61.88 18.80 14.31 32.48 125.34 -157.06 -120.99 138.86 19.18 80.72 0.10 18.57 0.79 0.08 0.04 0.05 0.00 78.99 1.47 6 H E E 99.71 6.92 22.60 30.17 117.99 -155.96 -110.53 126.35 12.21 87.72 0.07 11.74 0.49 0.06 0.03 0.03 0.00 86.73 0.91 7 V E E 35.50 20.40 12.30 31.69 118.40 -159.05 -101.79 133.01 29.01 70.88 0.11 27.38 1.22 0.13 0.04 0.06 0.00 69.79 1.37 8 K C C 106.27 5.12 19.75 25.46 123.52 -145.61 -96.48 154.35 78.53 21.21 0.25 62.18 13.61 1.38 0.04 0.27 0.00 21.70 0.84 9 P C S 99.19 4.24 15.99 21.81 112.72 -78.17 -63.84 142.92 86.33 12.63 1.03 21.97 48.19 15.57 0.07 1.14 0.00 12.36 0.70 10 G C S 35.85 3.95 17.99 23.15 132.41 60.32 126.82 -170.75 66.93 31.81 1.26 20.53 34.96 11.33 0.09 1.34 0.00 30.83 0.93 11 Q E E 114.04 5.47 18.37 25.13 118.27 -39.41 -100.13 134.14 41.40 57.22 1.38 33.45 6.15 1.95 0.23 1.23 0.00 55.55 1.43 12 I E E 25.53 19.70 13.25 32.79 122.32 -164.77 -117.81 130.61 24.95 74.72 0.33 22.44 2.21 0.35 0.12 0.20 0.00 72.21 2.48 13 A E E 54.11 7.60 23.44 31.31 113.20 -136.38 -92.09 128.05 24.72 74.76 0.52 22.83 1.24 0.31 0.26 0.27 0.00 70.31 4.78 14 L C S 28.05 21.26 15.63 35.85 110.79 -166.79 -89.01 134.09 74.60 22.69 2.71 20.63 30.20 25.95 0.47 2.06 0.02 19.01 1.65 15 N C S 42.59 15.52 16.02 31.33 99.21 15.62 65.74 44.38 87.69 9.79 2.51 30.00 30.31 28.38 0.44 2.06 0.01 6.84 1.97 16 T C T 84.62 6.46 14.98 23.27 109.63 156.65 -67.23 125.36 94.34 3.28 2.38 5.67 9.91 78.84 0.41 1.95 0.00 2.25 0.97 17 G C T 63.26 1.10 16.57 16.86 96.26 10.10 84.33 -1.53 97.14 1.56 1.30 4.86 14.25 77.99 0.14 1.24 0.00 1.19 0.33 18 R C S 94.95 10.34 12.18 23.65 125.39 107.63 -100.77 152.93 92.93 6.50 0.58 44.46 47.25 1.87 0.10 0.51 0.00 4.41 1.39 19 A C C 65.48 4.85 19.95 25.16 113.63 -102.03 -70.04 143.14 78.65 21.22 0.13 73.92 3.45 0.47 0.02 0.12 0.00 20.67 1.36 20 T E E 48.50 17.77 14.31 31.12 125.80 -144.51 -112.10 145.27 28.12 71.85 0.02 26.97 0.90 0.05 0.00 0.02 0.00 70.87 1.19 21 C E E 21.16 15.50 18.98 35.24 126.95 -159.78 -121.20 142.35 4.50 95.50 0.00 4.19 0.16 0.01 0.00 0.00 0.00 95.48 0.15 22 R E E 110.85 10.18 22.86 33.38 121.08 -147.36 -109.48 132.07 2.53 97.47 0.00 2.40 0.08 0.00 0.00 0.00 0.00 97.48 0.04 23 V E E 5.97 24.28 16.61 41.40 123.48 -168.33 -118.50 134.31 3.55 96.44 0.00 3.61 0.05 0.00 0.00 0.00 0.00 96.30 0.03 24 V E E 47.59 9.50 26.64 37.11 116.58 -149.07 -104.20 126.35 2.82 97.18 0.00 2.71 0.08 0.00 0.00 0.00 0.00 97.19 0.02 25 V E E 2.76 26.40 17.50 45.00 120.00 -165.45 -112.15 130.51 1.82 98.18 0.00 1.69 0.05 0.00 0.00 0.00 0.00 98.24 0.02 26 E E E 63.02 9.13 27.48 37.42 119.85 -163.80 -111.06 133.83 1.51 98.49 0.00 1.32 0.08 0.01 0.00 0.00 0.00 98.54 0.04 27 N E E 11.64 23.46 15.11 38.65 112.86 -152.82 -99.40 121.14 8.12 91.87 0.01 7.70 0.27 0.02 0.00 0.01 0.00 91.44 0.54 28 H C C 103.54 5.76 23.26 29.74 100.71 171.85 -107.49 2.51 73.52 26.39 0.10 61.70 10.07 0.69 0.01 0.12 0.00 26.25 1.16 29 G C S 15.50 14.61 12.92 28.01 128.47 96.61 -90.23 171.54 91.27 8.43 0.29 18.76 68.49 4.49 0.03 0.30 0.00 6.76 1.16 30 D C S 120.16 1.99 18.84 21.08 94.42 -121.32 -84.49 -7.17 98.70 1.20 0.10 6.69 89.46 2.76 0.01 0.10 0.00 0.81 0.18 31 R C S 123.59 4.34 18.97 24.58 128.01 59.89 -113.48 150.56 98.12 1.83 0.05 7.27 90.64 0.66 0.00 0.04 0.00 1.10 0.28 32 P C C 71.11 9.75 18.96 29.03 113.65 -97.26 -64.87 143.35 95.92 4.05 0.03 88.83 6.67 0.44 0.00 0.03 0.00 3.65 0.38 33 I E E 15.55 22.71 14.70 37.53 122.79 -153.50 -116.82 134.97 32.20 67.75 0.05 30.41 1.35 0.09 0.02 0.03 0.00 61.90 6.20 34 Q E E 87.44 8.32 26.50 35.52 116.75 -149.29 -99.42 129.04 19.34 80.61 0.05 18.39 0.84 0.08 0.02 0.04 0.00 77.12 3.51 35 V E E 10.55 24.82 15.88 40.62 120.81 -164.47 -108.70 136.79 48.43 51.11 0.45 41.98 4.45 1.20 0.11 0.40 0.00 48.96 2.90 36 G C C 18.72 12.49 21.63 34.11 121.78 -124.83 -79.20 170.25 83.67 14.71 1.63 64.72 13.19 5.36 0.25 1.65 0.00 12.83 1.99 37 S C T 58.15 10.87 19.68 30.48 95.13 -87.01 -73.17 -18.65 86.34 10.07 3.60 12.04 37.04 37.83 0.26 3.58 0.00 7.80 1.45 38 H C T 105.21 8.22 21.04 29.67 96.53 53.11 -92.38 3.39 87.62 9.70 2.68 18.42 30.58 39.03 0.25 2.73 0.00 7.60 1.38 39 Y C C 39.17 18.68 15.66 34.09 126.07 90.12 -104.97 144.62 78.13 20.43 1.44 40.69 35.63 2.37 0.53 0.94 0.01 11.70 8.13 40 H C C 63.24 9.96 24.21 34.66 113.21 -125.36 -86.03 130.16 70.54 28.86 0.60 67.19 3.54 0.78 0.15 0.45 0.00 12.27 15.62 41 F H G 24.28 23.69 16.15 39.65 92.07 -132.47 -61.92 -31.45 36.08 1.05 62.87 2.04 4.20 27.72 0.86 64.28 0.00 0.63 0.26 42 A H G 49.39 11.75 20.70 32.46 92.57 58.76 -75.46 -20.33 36.28 0.44 63.29 1.01 2.66 29.90 0.87 65.21 0.00 0.27 0.07 43 E H G 97.59 6.78 22.88 30.12 108.73 43.59 -113.27 36.28 33.71 1.72 64.56 3.68 4.37 23.70 0.91 65.95 0.00 1.19 0.21 44 V C C 40.71 20.42 14.43 33.36 123.44 84.62 -99.40 142.56 70.07 29.26 0.66 44.69 20.03 0.35 0.40 0.16 0.00 5.25 29.11 45 N C C 29.36 16.05 15.99 32.35 114.80 -124.12 -85.79 133.95 98.93 1.04 0.03 98.07 1.00 0.11 0.01 0.01 0.00 0.46 0.34 46 P C T 100.35 3.73 20.21 24.93 90.96 -125.37 -63.45 -20.70 99.66 0.12 0.22 0.30 4.12 95.29 0.01 0.19 0.00 0.07 0.02 47 A C T 36.65 12.27 17.20 30.35 91.99 62.26 -80.78 -10.68 99.46 0.32 0.22 0.58 3.23 95.73 0.00 0.22 0.00 0.21 0.03 48 L C C 10.12 24.84 11.36 35.98 114.08 94.04 -85.53 125.25 57.75 42.00 0.24 47.77 9.77 0.60 0.05 0.29 0.00 33.05 8.48 49 K E E 127.51 4.01 24.63 29.10 112.26 -166.11 -107.74 110.91 36.92 63.00 0.08 34.74 1.38 0.16 0.05 0.05 0.00 50.98 12.64 50 F C C 31.56 21.37 11.44 31.83 129.52 154.53 -119.64 150.69 52.60 47.33 0.07 49.45 2.99 0.14 0.03 0.05 0.00 39.80 7.54 51 D C C 84.78 3.77 22.35 25.78 106.32 -122.96 -86.42 112.29 91.92 7.96 0.11 91.38 1.17 0.14 0.04 0.04 0.00 6.12 1.09 52 R H H 88.00 17.61 12.33 28.57 94.06 -158.92 -62.70 -36.42 15.35 0.24 84.40 4.51 2.59 8.12 53.33 31.18 0.03 0.13 0.11 53 Q H H 136.21 1.86 19.20 21.13 91.68 58.07 -63.96 -35.34 9.84 0.09 90.07 0.80 0.85 7.39 49.61 41.25 0.01 0.06 0.03 54 Q H H 104.64 5.25 19.37 25.13 92.62 50.64 -75.67 -23.93 9.37 0.09 90.54 0.89 0.79 6.90 50.72 40.60 0.01 0.07 0.03 55 A H H 4.12 23.56 12.03 35.94 94.75 53.36 -90.96 -11.96 30.66 0.53 68.82 5.91 3.25 19.67 45.40 25.09 0.04 0.28 0.35 56 A C T 50.11 11.54 17.80 30.22 112.29 118.77 -62.04 132.66 96.36 0.62 3.02 0.93 1.78 93.95 2.13 0.56 0.00 0.23 0.41 57 G C T 39.09 5.56 22.21 28.94 93.98 20.92 84.93 -4.56 99.04 0.27 0.69 0.66 2.36 96.15 0.35 0.25 0.00 0.20 0.03 58 Y C C 51.80 17.08 17.69 34.75 121.04 130.98 -83.54 149.94 88.66 11.32 0.03 84.93 3.01 0.11 0.00 0.02 0.00 11.65 0.28 59 R E E 90.25 12.13 25.06 37.09 119.66 -138.91 -107.28 136.24 2.49 97.50 0.01 2.52 0.07 0.00 0.02 0.00 0.00 88.10 9.28 60 L E E 7.96 24.78 17.15 42.26 113.69 -137.73 -84.73 128.16 6.81 93.18 0.02 6.47 0.30 0.02 0.00 0.01 0.00 92.59 0.61 61 N E E 64.34 10.06 25.92 36.26 106.57 -165.71 -104.36 66.12 32.73 67.25 0.02 24.83 6.84 0.23 0.00 0.02 0.00 67.64 0.43 62 I C E 21.82 20.07 15.78 35.63 119.93 123.84 -111.29 128.12 50.23 49.73 0.03 42.81 7.87 0.15 0.01 0.03 0.00 45.04 4.08 63 P C C 59.74 6.14 21.92 28.51 117.61 -113.98 -68.51 154.17 94.12 5.76 0.13 93.48 1.06 0.32 0.03 0.07 0.00 3.61 1.42 64 A C T 60.31 10.96 14.95 26.56 109.75 -81.71 -59.85 136.09 98.70 0.50 0.80 0.50 5.12 93.11 0.03 0.80 0.00 0.27 0.16 65 G C T 52.85 3.41 18.65 22.76 95.18 21.14 85.46 -4.39 99.08 0.33 0.59 0.82 5.36 92.84 0.02 0.68 0.00 0.21 0.06 66 T C C 58.53 9.39 17.61 27.85 120.79 111.00 -100.02 149.23 85.51 14.24 0.26 68.16 16.49 0.87 0.05 0.28 0.00 10.96 3.19 67 A E E 45.78 15.19 16.71 31.31 127.88 -142.67 -118.20 147.36 32.87 67.10 0.04 31.77 0.94 0.09 0.01 0.03 0.00 65.51 1.65 68 V E E 24.09 17.94 18.23 36.34 126.29 -160.14 -125.38 137.92 6.29 93.71 0.00 6.06 0.25 0.01 0.00 0.00 0.00 93.51 0.16 69 R E E 117.13 8.90 24.00 33.42 117.73 -144.73 -102.00 129.22 2.76 97.23 0.00 2.59 0.18 0.01 0.00 0.00 0.00 96.97 0.24 70 F E E 11.75 23.43 13.58 37.14 124.93 -171.30 -121.58 139.68 13.55 86.45 0.01 13.42 0.43 0.01 0.00 0.00 0.00 82.08 4.05 71 E C C 99.02 3.91 24.09 27.63 122.11 -139.03 -93.20 152.09 98.39 1.60 0.01 98.16 0.53 0.02 0.00 0.00 0.00 1.16 0.12 72 P C T 61.73 13.11 13.90 27.44 110.35 -82.71 -59.06 136.44 99.24 0.58 0.19 0.42 3.32 95.71 0.01 0.14 0.00 0.31 0.09 73 G C T 48.76 3.66 18.49 22.95 94.89 21.59 86.77 -5.80 99.39 0.48 0.13 0.53 3.22 95.76 0.01 0.11 0.00 0.35 0.03 74 Q C C 79.97 7.62 16.70 25.77 119.64 123.08 -83.43 144.95 85.39 14.51 0.10 76.50 8.44 0.35 0.02 0.11 0.00 13.48 1.10 75 K E E 121.07 8.40 15.81 26.26 122.30 -146.63 -110.54 139.21 35.44 64.52 0.04 34.96 0.73 0.07 0.01 0.03 0.00 62.83 1.37 76 R E E 68.84 13.52 15.86 30.00 134.49 173.46 -141.49 153.75 9.28 90.71 0.02 8.42 0.47 0.03 0.00 0.01 0.00 90.90 0.17 77 E E E 112.73 5.74 21.91 28.60 116.42 -124.49 -93.29 134.12 4.94 95.05 0.01 4.58 0.24 0.01 0.00 0.01 0.00 95.10 0.06 78 V E E 8.53 24.08 13.65 37.84 127.78 -172.50 -126.01 142.83 4.80 95.19 0.01 4.68 0.14 0.01 0.00 0.01 0.00 95.09 0.06 79 E E E 88.68 7.12 25.94 33.54 116.85 -138.30 -99.70 129.96 3.23 96.75 0.01 3.04 0.09 0.01 0.00 0.00 0.00 96.80 0.05 80 L E E 12.57 24.03 16.69 40.76 116.51 -146.76 -93.45 131.09 6.02 93.94 0.04 5.57 0.30 0.03 0.01 0.02 0.00 93.95 0.13 81 V E E 28.77 13.89 23.38 37.72 123.15 -166.41 -118.36 133.66 7.04 92.86 0.10 6.54 0.42 0.07 0.03 0.04 0.00 92.62 0.28 82 A E E 38.68 13.43 22.05 35.44 112.63 -124.18 -76.82 131.77 12.12 87.56 0.32 11.34 0.67 0.16 0.11 0.15 0.00 86.95 0.62 83 F C E 36.01 19.32 17.25 35.86 106.40 -174.89 -101.99 -6.34 51.26 45.78 2.96 40.97 7.26 3.11 0.92 1.94 0.01 43.49 2.29 84 A C C 44.44 10.85 18.19 29.32 125.35 -8.22 -126.00 143.75 66.94 27.45 5.61 26.00 23.31 20.01 0.86 4.51 0.09 22.11 3.10 85 G C T 43.85 3.99 18.26 22.81 118.25 11.79 80.12 -152.62 83.78 11.75 4.47 8.49 32.18 43.70 0.35 4.32 0.01 9.52 1.42 86 H C T 138.97 4.21 17.78 23.12 101.70 -19.36 -92.77 21.44 83.84 13.72 2.44 24.13 25.86 33.88 0.17 2.64 0.00 12.49 0.84 87 R C C 83.22 13.28 14.58 28.12 121.36 128.46 -99.04 143.74 62.18 37.33 0.49 39.59 19.97 2.45 0.08 0.45 0.00 36.60 0.87 88 A E E 43.68 9.86 21.20 31.64 121.77 -149.18 -110.87 136.91 14.38 85.49 0.13 12.98 1.13 0.17 0.05 0.07 0.00 84.94 0.66 89 V E E 16.72 20.64 15.51 36.25 121.06 -156.82 -111.22 132.06 4.74 95.20 0.06 4.38 0.26 0.05 0.02 0.02 0.00 94.86 0.41 90 F E E 83.36 9.42 21.26 31.07 122.51 -163.99 -110.61 139.68 10.85 89.01 0.14 9.31 1.09 0.21 0.04 0.07 0.00 88.75 0.53 91 G C E 17.74 13.32 16.14 29.67 132.55 114.50 -113.61 177.04 52.71 46.38 0.91 40.94 8.51 2.29 0.13 0.84 0.00 46.41 0.88 92 F C T 95.13 11.42 14.92 26.51 112.33 -72.42 -93.19 122.61 69.81 15.73 14.46 8.19 19.97 42.66 0.61 14.15 0.02 12.67 1.73 93 R C T 160.04 4.08 16.04 21.04 94.89 -1.42 56.90 33.16 81.62 2.08 16.30 4.36 16.16 58.94 0.52 18.03 0.00 1.42 0.57 94 G C T 45.40 7.73 13.46 21.82 95.70 -66.20 78.41 4.24 83.33 1.87 14.80 8.78 31.47 41.34 0.53 16.18 0.00 1.17 0.53 95 E C S 113.84 4.52 16.62 22.15 100.99 112.48 -86.83 -18.25 71.99 23.53 4.48 23.72 25.05 25.00 0.51 3.79 0.02 20.23 1.70 96 V E E 63.99 10.74 14.86 26.36 119.12 30.08 -110.42 129.28 25.15 73.98 0.87 19.24 5.25 1.77 0.34 0.65 0.01 68.30 4.43 97 M E E 75.84 12.06 15.76 28.24 121.80 -171.47 -114.90 141.15 17.62 82.01 0.37 13.92 3.37 1.04 0.12 0.25 0.00 79.68 1.62 98 G E E 22.70 7.71 19.58 28.35 137.05 42.75 139.64 175.24 21.62 78.25 0.12 14.72 6.63 0.73 0.02 0.10 0.00 77.22 0.58 99 P E E 79.48 6.20 19.67 26.38 114.63 -60.48 -69.22 148.25 26.28 73.24 0.48 23.10 2.42 0.54 0.22 0.30 0.00 69.56 3.86 100 L C C 44.04 19.10 11.50 29.42 109.63 -120.67 -80.73 129.87 74.03 21.09 4.88 53.40 13.10 7.21 1.39 3.87 0.01 18.13 2.90 101 E C C 108.49 5.56 17.16 23.58 112.01 -148.35 -96.87 118.42 78.06 15.80 6.14 52.84 15.80 9.30 1.65 4.88 0.01 12.48 3.03 102 V C C 83.76 9.14 11.00 20.91 106.76 -164.62 -93.88 14.88 80.59 7.70 11.71 44.08 20.34 16.70 2.07 9.69 0.01 5.38 1.72 103 N C C 111.79 3.16 11.73 16.23 105.88 75.44 -88.78 56.16 87.27 3.25 9.48 39.78 22.98 24.39 1.45 8.49 0.00 1.93 0.99 104 D C C 102.00 4.17 9.45 15.38 105.36 110.74 -89.07 62.25 91.25 2.08 6.67 73.68 4.38 13.39 1.33 5.10 0.00 1.30 0.82 105 E C C 127.81 4.19 11.08 17.01 107.65 136.46 -85.16 91.94 99.83 0.13 0.04 99.66 0.14 0.09 0.01 0.01 0.00 0.06 0.02