# 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 99.94 8.96 14.21 24.00 114.60 -153.10 -90.69 132.03 99.90 0.09 0.01 99.84 0.08 0.02 0.00 0.00 0.00 0.05 0.01 1 R C C 129.69 6.86 16.78 24.77 117.49 -150.88 -100.27 135.28 75.24 24.52 0.24 73.76 0.89 0.40 0.06 0.11 0.00 24.03 0.76 2 E E E 69.51 14.43 16.71 31.00 119.94 -144.74 -99.59 137.04 32.08 67.68 0.24 28.64 2.42 0.28 0.08 0.14 0.00 67.87 0.57 3 R E E 49.83 15.51 22.34 37.61 131.34 -172.04 -129.40 148.37 4.11 95.77 0.11 3.76 0.36 0.08 0.06 0.05 0.00 94.91 0.79 4 A E E 9.40 20.44 22.57 42.72 121.82 -127.34 -99.85 140.85 5.05 94.79 0.16 4.65 0.39 0.07 0.16 0.05 0.00 91.39 3.29 5 C C C 4.78 23.28 19.90 43.84 109.20 -112.37 -72.29 128.60 63.86 35.91 0.23 62.84 0.95 0.32 0.07 0.10 0.00 33.67 2.05 6 M C T 55.45 15.62 23.60 39.10 93.33 -146.58 -69.43 -27.53 98.73 0.43 0.84 0.79 7.99 89.90 0.05 0.88 0.00 0.29 0.10 7 L C T 56.19 14.31 23.52 37.07 98.85 45.02 -82.30 -41.01 98.84 0.29 0.87 0.30 4.71 93.81 0.02 0.92 0.00 0.14 0.10 8 C C T 26.03 15.67 21.22 36.92 101.52 19.83 -105.74 -13.89 99.09 0.22 0.69 1.46 7.16 90.29 0.03 0.87 0.00 0.12 0.06 9 G C C 16.12 16.77 21.19 37.54 94.85 -124.90 74.27 12.14 98.19 1.61 0.20 56.39 23.97 17.93 0.04 0.17 0.00 1.18 0.32 10 I C C 37.13 14.86 23.94 39.07 117.58 140.17 -85.76 137.12 61.56 38.38 0.05 52.37 9.35 0.43 0.01 0.05 0.00 34.81 2.98 11 V E E 19.93 21.98 20.98 42.30 116.53 -150.70 -105.36 124.08 4.19 95.79 0.02 3.71 0.44 0.02 0.03 0.01 0.00 84.77 11.03 12 L E E 24.77 15.22 21.43 37.11 135.51 166.62 -136.15 157.23 10.40 89.59 0.01 9.60 0.80 0.01 0.00 0.00 0.00 87.65 1.93 13 P C C 43.12 8.39 23.05 32.39 116.91 -98.74 -68.12 153.17 50.60 49.35 0.05 51.70 0.48 0.02 0.03 0.01 0.00 46.96 0.81 14 G H H 17.82 18.35 14.48 32.55 91.78 -111.23 -57.54 -40.36 1.87 0.01 98.12 0.25 0.23 1.19 97.62 0.70 0.00 0.00 0.00 15 R H H 154.67 1.88 21.74 22.87 91.69 52.32 -63.80 -39.87 0.71 0.01 99.29 0.09 0.07 0.48 98.73 0.62 0.00 0.00 0.00 16 V H H 57.59 6.30 19.63 26.90 91.93 48.23 -65.62 -40.87 0.42 0.01 99.57 0.06 0.04 0.27 98.93 0.68 0.00 0.01 0.00 17 F H H 5.42 24.84 11.74 36.58 91.51 51.11 -63.11 -43.31 0.50 0.01 99.49 0.08 0.05 0.32 99.19 0.37 0.00 0.00 0.00 18 M H H 84.01 11.73 17.17 28.92 92.52 48.31 -66.03 -38.77 2.48 0.02 97.50 0.17 0.14 2.20 96.98 0.49 0.01 0.01 0.00 19 Q H H 137.57 1.06 20.16 19.20 96.45 41.61 -78.03 -36.48 8.96 0.02 91.02 0.21 0.44 8.48 90.37 0.48 0.02 0.01 0.01 20 N H H 92.09 4.83 18.49 23.92 102.78 22.28 -109.51 -9.25 32.50 0.16 67.34 1.86 4.47 25.50 67.26 0.70 0.06 0.04 0.11 21 G C C 12.71 14.55 17.69 32.65 128.12 -128.91 91.57 -176.29 97.58 1.30 1.12 61.72 8.90 26.99 0.61 0.39 0.00 0.51 0.88 22 C C C 8.40 22.25 14.52 37.26 112.43 -62.90 -87.58 125.80 99.06 0.68 0.26 97.07 1.89 0.18 0.12 0.07 0.00 0.20 0.48 23 P C T 80.00 5.35 22.04 28.44 92.50 -143.38 -63.32 -28.25 62.60 0.41 37.00 4.70 6.26 51.20 7.65 29.61 0.03 0.22 0.32 24 N C T 61.55 11.53 19.43 31.26 92.14 57.87 -75.41 -17.17 61.29 0.47 38.24 2.26 5.34 53.93 9.35 28.41 0.06 0.26 0.39 25 C H G 6.99 22.52 13.56 36.30 99.86 47.99 -102.99 -1.61 46.97 2.35 50.68 17.28 7.27 22.35 18.41 32.15 0.03 1.08 1.42 26 D H H 60.54 12.59 16.24 29.18 92.14 95.66 -60.71 -40.03 15.28 0.30 84.42 4.79 1.88 7.62 48.21 37.19 0.02 0.18 0.11 27 S H H 77.95 2.12 20.95 22.51 92.03 52.90 -66.44 -33.57 12.05 0.10 87.85 0.95 0.93 8.88 49.94 39.16 0.03 0.06 0.04 28 V H H 45.74 13.67 17.23 30.93 94.94 47.79 -74.33 -32.75 11.81 0.13 88.06 1.02 1.09 8.67 53.73 35.32 0.05 0.08 0.05 29 L H H 21.54 20.34 13.51 33.26 96.11 54.94 -82.72 -8.51 34.29 1.59 64.12 7.21 7.68 19.61 41.16 22.25 0.39 0.74 0.96 30 N C T 105.77 4.26 20.69 25.48 96.97 -128.81 55.28 41.23 71.72 1.44 26.84 22.67 7.15 42.22 12.67 13.62 0.01 0.71 0.96 31 L C C 41.02 15.53 11.31 26.96 98.42 145.99 -84.52 -0.99 80.87 2.88 16.26 61.48 7.94 10.96 6.19 10.05 0.00 1.23 2.15 32 R C T 138.61 6.33 13.61 21.49 100.11 104.40 -69.11 -23.41 89.86 1.75 8.40 19.86 11.18 58.81 3.44 4.71 0.01 0.86 1.12 33 D C T 126.55 1.09 14.88 15.39 97.29 29.56 -80.26 11.20 93.11 0.86 6.03 11.16 18.56 63.36 1.31 4.66 0.00 0.47 0.49 34 S C C 42.06 10.21 9.02 20.32 115.77 106.96 -100.88 127.68 94.75 1.95 3.30 66.27 22.72 5.35 1.37 1.83 0.00 0.69 1.76 35 D C T 122.29 1.78 13.94 16.67 95.07 -153.34 -73.06 -15.31 82.96 0.58 16.46 17.27 23.30 43.28 8.83 6.63 0.01 0.24 0.45 36 Q C T 112.31 4.91 14.08 20.21 96.98 62.91 -82.92 -11.59 76.08 0.85 23.07 18.02 17.78 41.25 14.61 7.37 0.02 0.35 0.59 37 A C C 35.44 11.07 13.24 25.46 102.18 89.52 -70.38 23.18 67.41 2.30 30.28 47.22 13.27 6.96 24.78 5.55 0.01 1.08 1.12 38 T C C 51.45 8.22 20.07 29.12 99.23 121.74 -74.39 -27.29 49.10 5.55 45.35 40.99 4.61 4.92 37.62 6.55 0.01 2.92 2.37 39 V H H 10.87 24.03 14.13 37.37 93.07 69.46 -65.18 -36.84 19.02 2.26 78.72 10.87 3.00 5.54 50.02 28.39 0.02 1.77 0.39 40 N H H 84.48 10.77 19.86 30.69 91.33 60.03 -65.55 -27.85 17.80 1.74 80.45 6.29 3.07 7.79 48.60 32.57 0.06 1.29 0.32 41 E H H 118.90 4.11 23.16 27.54 94.10 53.79 -80.76 -17.94 25.42 2.18 72.40 6.98 4.95 12.75 41.22 31.93 0.22 1.37 0.58 42 C C C 22.17 18.73 17.98 36.14 101.54 54.74 -98.00 -4.07 54.16 11.17 34.66 27.61 12.97 14.87 20.17 13.67 0.36 6.58 3.76 43 T E C 19.95 21.80 16.87 37.96 124.67 96.66 -99.16 151.50 48.15 48.73 3.11 34.47 9.04 1.96 2.27 1.05 0.05 17.35 33.81 44 S C C 16.00 16.66 18.05 35.27 121.52 -118.89 -91.06 152.42 73.59 25.38 1.03 62.75 8.68 1.32 0.51 0.64 0.00 18.96 7.15 45 S C S 74.22 6.26 21.00 28.33 93.25 -130.72 -75.32 -19.71 89.84 9.68 0.48 14.80 66.85 7.55 0.06 0.38 0.00 9.83 0.54 46 S C S 56.36 7.40 22.44 30.16 120.04 45.94 -117.01 128.10 73.69 25.60 0.71 30.87 33.81 9.03 0.11 0.66 0.00 24.25 1.27 47 F E E 21.83 23.49 12.97 35.73 128.29 -171.20 -125.94 144.78 37.96 61.86 0.19 34.77 2.39 0.30 0.06 0.14 0.00 59.40 2.93 48 E E E 106.77 6.12 24.33 30.99 119.54 -158.71 -115.91 129.85 27.80 72.09 0.11 20.71 6.85 0.71 0.02 0.10 0.00 70.35 1.26 49 G E E 16.92 11.77 21.64 33.93 136.57 44.78 131.21 -173.09 12.23 87.73 0.04 6.95 5.08 0.44 0.00 0.04 0.00 87.32 0.16 50 L E E 46.35 15.52 23.41 38.39 124.70 -66.88 -114.60 140.44 2.64 97.35 0.01 2.32 0.17 0.01 0.00 0.00 0.00 97.39 0.10 51 V E E 8.89 23.30 21.41 44.32 119.74 -156.86 -110.06 128.79 0.51 99.48 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.50 0.03 52 A E E 18.93 16.13 25.59 41.31 125.48 -169.37 -119.16 139.18 0.66 99.34 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.36 0.04 53 V E E 16.94 20.76 19.50 39.66 117.36 -159.48 -111.99 126.52 8.78 91.19 0.03 7.18 1.37 0.12 0.01 0.02 0.00 90.89 0.42 54 G C S 30.71 10.82 20.81 31.52 103.74 125.65 -94.63 -25.06 79.92 19.97 0.11 23.62 54.24 1.81 0.01 0.10 0.00 19.48 0.73 55 D C C 69.53 5.81 21.05 27.37 111.11 45.29 -108.24 100.33 97.64 2.29 0.08 79.29 18.09 0.51 0.02 0.06 0.00 1.39 0.64 56 N C T 51.13 17.91 11.38 28.60 93.58 -164.04 -65.79 -24.98 73.85 0.25 25.90 1.85 5.70 63.63 0.83 27.73 0.00 0.12 0.14 57 E C T 142.05 2.46 17.63 20.74 92.36 60.76 -72.28 -20.79 74.88 0.08 25.04 0.45 2.98 71.17 0.80 24.51 0.00 0.04 0.05 58 H C T 136.80 2.47 17.99 20.51 101.15 33.23 -105.09 -2.46 73.62 0.29 26.09 2.17 6.44 62.67 0.91 27.51 0.00 0.15 0.15 59 S C C 14.59 19.34 9.84 28.63 115.48 101.62 -86.31 129.78 97.28 1.07 1.65 75.71 20.44 0.53 1.56 0.23 0.00 0.17 1.37 60 W H H 121.49 5.62 22.19 28.71 93.58 -146.91 -65.18 -34.26 6.18 0.03 93.80 0.43 1.06 4.83 91.73 1.87 0.05 0.01 0.02 61 V H H 15.49 18.31 18.62 37.22 92.26 53.84 -64.57 -41.90 2.32 0.00 97.67 0.10 0.17 2.05 94.65 3.01 0.01 0.00 0.00 62 A H H 5.99 20.56 14.78 35.75 91.67 51.63 -64.30 -40.68 0.88 0.00 99.12 0.06 0.05 0.71 94.68 4.50 0.00 0.00 0.00 63 K H H 122.90 4.17 20.05 24.99 92.38 51.43 -65.63 -39.30 2.05 0.00 97.94 0.10 0.11 1.78 93.23 4.78 0.00 0.00 0.00 64 W H H 129.98 7.13 18.85 26.50 93.58 47.27 -72.39 -31.96 15.45 0.04 84.51 0.43 0.98 14.67 81.49 2.34 0.05 0.01 0.03 65 L C T 39.78 16.39 13.99 30.17 98.04 51.76 -90.49 -1.53 81.53 0.63 17.84 8.35 17.99 53.89 17.02 1.99 0.02 0.21 0.54 66 R C C 147.86 4.47 19.60 24.93 96.98 -126.64 53.38 51.71 96.37 0.73 2.91 47.56 6.25 42.99 1.06 1.40 0.00 0.33 0.41 67 V C C 30.36 18.87 9.31 26.99 105.26 163.60 -94.67 21.19 90.40 2.50 7.10 81.04 4.47 4.20 1.64 5.93 0.00 1.02 1.69 68 D C T 120.19 1.60 16.92 18.70 94.83 115.82 -74.72 -17.74 89.21 1.20 9.59 9.75 18.18 60.01 0.88 9.82 0.00 0.62 0.74 69 R C T 159.16 2.80 17.83 20.98 99.33 47.68 -94.75 3.02 91.02 1.39 7.59 7.45 20.31 62.16 0.48 8.22 0.00 0.90 0.47 70 F C C 43.37 20.52 9.81 28.81 123.28 105.01 -99.80 144.45 83.28 15.31 1.42 68.83 11.78 1.71 0.36 1.35 0.00 5.97 9.99 71 Q C C 87.45 6.44 22.58 29.40 122.20 -153.60 -111.19 137.90 89.94 10.00 0.06 84.61 5.84 0.17 0.02 0.04 0.00 6.95 2.37 72 P C S 66.68 11.65 18.64 30.26 114.82 -102.20 -64.55 144.29 93.13 6.81 0.07 39.28 51.23 2.62 0.01 0.08 0.00 6.40 0.37 73 G E E 14.52 11.79 21.51 34.09 138.65 71.15 134.48 -171.00 41.81 58.11 0.08 15.99 24.61 1.62 0.01 0.10 0.00 57.07 0.60 74 L E E 52.19 14.17 21.60 35.83 123.76 -54.78 -111.80 138.05 4.87 95.12 0.01 4.32 0.38 0.02 0.00 0.00 0.00 95.02 0.26 75 Y E E 30.20 19.57 20.98 40.01 131.83 -174.81 -133.65 148.64 0.78 99.22 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.23 0.03 76 A E E 22.00 17.48 22.59 39.58 120.07 -133.04 -102.33 134.82 0.59 99.41 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 77 V E E 18.43 20.17 20.11 39.80 127.44 -170.32 -123.81 139.53 0.58 99.42 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.41 0.01 78 R E E 100.78 10.36 23.82 34.17 116.97 -147.57 -104.05 128.36 0.96 99.03 0.00 0.92 0.03 0.00 0.00 0.00 0.00 99.00 0.05 79 V E E 17.58 21.20 14.14 35.15 123.09 -168.44 -117.65 138.05 6.29 93.70 0.01 6.20 0.21 0.02 0.00 0.01 0.00 93.16 0.40 80 D E E 86.73 5.05 21.69 27.53 123.22 -166.21 -116.75 140.85 24.71 75.24 0.05 19.50 4.62 0.39 0.01 0.05 0.00 74.81 0.62 81 G C E 28.16 6.34 19.01 26.76 139.98 70.78 152.37 -172.86 52.03 47.92 0.06 21.22 30.32 1.21 0.00 0.06 0.00 46.37 0.81 82 R C C 154.96 3.31 20.47 24.70 121.40 -61.21 -108.75 140.06 70.72 29.24 0.05 65.82 4.64 0.21 0.02 0.04 0.00 25.54 3.73 83 L C C 29.43 21.25 10.31 30.73 114.85 -111.75 -73.45 141.42 96.54 3.45 0.02 95.75 1.31 0.02 0.01 0.00 0.00 2.40 0.50 84 P C C 40.35 8.79 15.18 26.02 113.13 -105.54 -63.48 145.34 99.57 0.35 0.08 99.49 0.21 0.02 0.05 0.00 0.00 0.12 0.10 85 S H H 88.74 1.98 14.89 17.90 91.16 -120.69 -59.29 -35.49 1.17 0.00 98.83 0.17 0.13 0.70 98.67 0.32 0.00 0.00 0.00 86 D H H 103.75 1.68 16.72 18.15 91.83 56.13 -65.06 -36.69 0.49 0.00 99.51 0.04 0.03 0.35 99.20 0.37 0.00 0.00 0.00 87 I H H 27.97 15.76 13.91 29.97 92.94 47.92 -67.71 -41.71 0.12 0.00 99.88 0.01 0.01 0.07 99.69 0.21 0.00 0.00 0.00 88 V H H 40.65 13.39 15.12 29.06 91.56 51.10 -62.81 -42.52 0.06 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 89 A H H 56.79 1.76 20.25 20.35 91.25 50.42 -62.96 -42.05 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 90 A H H 38.39 5.36 17.43 24.35 91.52 50.50 -64.52 -41.29 0.37 0.00 99.62 0.02 0.01 0.27 99.61 0.07 0.00 0.00 0.00 91 L H H 14.02 18.15 11.50 30.03 92.01 50.46 -64.58 -41.74 0.75 0.00 99.25 0.10 0.04 0.50 98.96 0.41 0.00 0.00 0.00 92 E H H 114.07 4.91 15.00 21.40 91.41 51.30 -63.64 -39.53 1.65 0.01 98.34 0.16 0.08 1.23 97.35 1.17 0.00 0.00 0.00 93 Q H H 147.24 0.74 15.71 14.91 90.57 54.33 -65.94 -27.11 11.72 0.02 88.26 0.28 0.31 11.44 86.30 1.63 0.01 0.01 0.01 94 Y C T 122.78 6.15 12.39 20.18 94.47 50.96 -91.15 3.96 80.71 0.03 19.26 0.32 0.95 79.63 18.00 1.06 0.00 0.01 0.02 95 G C T 57.45 1.42 17.47 18.08 96.09 -104.94 82.51 16.92 99.82 0.02 0.16 1.28 1.15 97.48 0.04 0.03 0.00 0.01 0.00 96 V C C 33.86 16.83 9.11 25.59 117.83 141.68 -96.51 132.84 93.16 6.79 0.05 92.48 1.11 0.10 0.01 0.02 0.00 5.68 0.60 97 Y C C 139.64 3.65 21.72 25.70 116.93 -151.72 -104.64 131.00 75.81 24.11 0.08 75.42 0.91 0.12 0.02 0.04 0.00 22.23 1.26 98 Y C C 60.95 19.40 12.39 30.98 118.75 -147.17 -98.76 132.25 66.94 32.95 0.11 64.41 2.48 0.18 0.05 0.07 0.00 27.85 4.97 99 R C C 102.64 7.01 18.85 26.87 120.84 -168.79 -118.45 131.06 73.71 26.18 0.10 68.08 4.96 0.24 0.04 0.08 0.00 20.97 5.64 100 P C C 55.83 9.39 14.06 24.81 114.67 -114.27 -67.80 151.57 86.34 12.45 1.21 79.30 4.33 2.29 0.28 1.01 0.00 9.64 3.16 101 R C T 137.67 8.23 12.05 21.31 94.81 -108.70 -64.41 -25.11 90.29 2.59 7.12 12.70 19.72 57.28 0.61 7.14 0.00 1.57 0.98 102 D C T 105.67 2.55 13.01 16.39 96.75 56.55 -87.95 1.80 91.34 1.26 7.40 9.01 18.12 63.11 0.59 7.84 0.00 0.74 0.58 103 G C S 46.49 4.81 12.05 18.44 100.53 -99.69 86.54 4.54 88.65 5.78 5.57 31.28 42.37 14.78 0.72 5.22 0.00 3.23 2.40 104 S C C 54.20 6.23 10.20 18.31 115.87 134.11 -86.28 145.26 88.71 9.07 2.22 68.74 13.76 5.85 0.62 1.79 0.00 5.94 3.31 105 V C C 100.81 4.70 9.95 16.54 113.12 -151.40 -97.92 124.34 82.66 14.74 2.60 57.32 19.82 5.43 0.94 1.76 0.00 9.90 4.82 106 I C C 115.73 3.95 9.75 15.63 114.84 -157.92 -98.82 128.93 88.15 10.71 1.13 80.75 4.49 2.66 0.44 0.62 0.00 8.55 2.50 107 D C C 108.53 3.32 11.45 16.60 110.34 -126.76 -85.38 122.31 99.75 0.24 0.01 99.66 0.12 0.05 0.00 0.00 0.00 0.15 0.02