# 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 94.43 10.25 13.58 24.40 118.27 -150.70 -96.96 135.46 99.80 0.20 0.00 99.79 0.06 0.01 0.00 0.00 0.00 0.12 0.01 1 I C C 86.71 7.47 14.69 23.56 119.99 -156.87 -105.59 136.44 61.33 38.55 0.12 62.08 0.41 0.13 0.04 0.05 0.00 35.15 2.14 2 Q E E 102.30 8.04 14.54 24.08 121.99 -152.36 -108.56 139.72 38.47 61.40 0.12 33.78 3.20 0.40 0.03 0.10 0.00 61.36 1.13 3 G E E 20.35 8.77 18.29 28.47 141.29 137.47 -166.56 -178.75 15.73 84.21 0.06 12.57 2.61 0.27 0.01 0.04 0.00 84.17 0.32 4 V E E 73.99 7.28 21.63 29.49 122.91 -83.85 -109.57 140.77 5.34 94.62 0.03 5.04 0.33 0.02 0.03 0.01 0.00 77.99 16.58 5 S C C 5.74 22.26 12.39 35.48 110.04 -112.62 -70.18 128.99 78.17 21.80 0.03 79.72 0.41 0.05 0.01 0.01 0.00 18.24 1.55 6 M C T 78.28 9.38 20.95 31.54 92.83 -148.27 -70.80 -23.55 99.74 0.15 0.12 0.27 4.45 95.05 0.00 0.11 0.00 0.10 0.02 7 F C T 68.58 14.04 18.06 31.85 100.17 44.20 -83.70 -40.73 99.84 0.07 0.09 0.05 2.53 97.31 0.00 0.06 0.00 0.03 0.01 8 S C T 45.35 8.17 16.81 26.23 102.14 18.84 -107.83 -14.42 99.85 0.08 0.08 0.27 3.79 95.81 0.00 0.07 0.00 0.04 0.02 9 G C C 42.00 6.69 15.64 23.75 95.04 -122.30 79.03 5.75 99.18 0.74 0.08 82.79 11.87 4.54 0.02 0.07 0.00 0.40 0.32 10 R C C 111.04 5.55 16.90 24.09 118.93 138.40 -79.89 145.55 95.93 4.06 0.02 88.67 7.37 0.15 0.00 0.01 0.00 3.38 0.43 11 N E E 105.20 4.72 19.73 25.77 113.76 -106.32 -73.18 136.54 3.05 96.93 0.01 2.86 0.21 0.01 0.02 0.00 0.00 62.05 34.84 12 I E E 14.51 22.55 10.77 32.93 118.69 -156.77 -113.95 127.73 32.24 67.73 0.03 31.35 1.01 0.04 0.01 0.02 0.00 64.60 2.96 13 P C C 61.93 5.66 21.29 27.31 115.56 -112.56 -68.30 150.83 82.04 17.55 0.40 73.85 5.52 1.51 0.05 0.45 0.00 17.52 1.10 14 K C T 123.37 7.71 16.47 25.29 111.33 -88.87 -62.67 139.44 88.98 8.81 2.20 15.82 23.15 50.67 0.17 2.36 0.00 6.49 1.34 15 G C T 37.71 7.20 17.55 25.66 108.61 30.37 95.31 -11.78 87.58 10.11 2.31 21.27 21.52 45.58 0.19 2.46 0.00 7.72 1.26 16 S C C 61.76 7.23 18.23 26.29 117.68 111.20 -104.76 143.21 87.48 11.33 1.20 55.06 25.88 6.63 0.15 1.44 0.00 8.74 2.08 17 G C S 22.74 10.89 17.69 29.05 134.50 54.51 132.13 -170.88 73.59 26.28 0.12 27.12 44.88 1.62 0.01 0.13 0.00 25.49 0.74 18 I E E 63.87 10.05 19.27 30.26 123.29 -61.86 -111.39 140.15 12.93 87.05 0.02 10.87 1.39 0.07 0.00 0.02 0.00 87.43 0.22 19 Y E E 74.93 14.29 17.16 31.72 121.31 -153.37 -109.53 135.00 0.67 99.33 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.35 0.02 20 E E E 49.67 12.02 18.22 31.30 126.39 -169.45 -120.73 143.63 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 21 V E E 50.44 10.49 15.59 27.79 116.88 -144.03 -105.14 127.05 1.16 98.84 0.00 1.09 0.03 0.00 0.00 0.00 0.00 98.71 0.17 22 M C C 53.40 8.94 12.33 23.18 122.67 -143.67 -83.90 167.71 91.20 8.76 0.05 91.56 0.33 0.07 0.01 0.02 0.00 7.51 0.51 23 S C T 89.97 2.94 11.61 16.09 90.42 -101.03 -61.58 -24.36 98.51 0.35 1.14 0.37 3.00 95.17 0.02 1.14 0.00 0.24 0.05 24 D C T 110.52 1.39 12.52 13.90 92.32 57.96 -86.66 -0.23 98.83 0.06 1.11 0.17 2.34 96.37 0.02 1.05 0.00 0.03 0.01 25 G C S 45.31 4.55 12.08 18.31 96.35 -103.86 86.76 6.61 98.77 0.35 0.88 11.56 85.43 2.00 0.08 0.59 0.00 0.14 0.19 26 R C C 115.57 4.53 14.94 21.16 117.80 136.70 -79.82 144.00 96.39 3.59 0.03 95.74 1.18 0.07 0.01 0.01 0.00 2.38 0.61 27 A E E 46.76 11.62 14.95 27.60 120.30 -140.87 -108.33 133.80 1.21 98.79 0.00 1.20 0.04 0.00 0.00 0.00 0.00 98.51 0.25 28 V E E 31.20 14.66 17.89 33.45 125.05 -170.13 -122.01 137.40 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 29 L E E 57.01 11.35 22.33 34.27 117.99 -141.75 -103.46 130.42 0.51 99.49 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.49 0.03 30 T E E 12.07 19.73 15.09 35.26 123.55 -158.90 -105.31 145.46 10.86 89.13 0.01 10.91 0.19 0.01 0.00 0.00 0.00 88.37 0.51 31 A C S 43.02 9.65 20.03 30.81 97.13 -150.69 -85.35 -23.16 96.46 3.50 0.04 24.42 71.61 0.54 0.01 0.02 0.00 3.28 0.12 32 S C S 34.07 6.78 19.53 27.52 136.41 15.57 -142.21 165.14 98.50 1.01 0.49 23.74 74.44 0.56 0.41 0.07 0.00 0.30 0.49 33 N H H 104.86 4.12 16.80 22.20 91.44 -105.83 -61.52 -35.46 3.75 0.01 96.24 0.40 0.72 2.44 95.63 0.79 0.01 0.00 0.01 34 K H H 120.50 3.32 19.50 23.04 91.55 54.82 -64.08 -40.58 2.46 0.01 97.53 0.21 0.22 1.87 96.72 0.97 0.01 0.00 0.00 35 E H H 22.13 17.54 13.64 31.52 92.04 49.06 -65.79 -41.20 0.87 0.00 99.13 0.12 0.08 0.57 98.28 0.95 0.00 0.00 0.00 36 R H H 92.11 10.28 16.92 27.81 91.61 53.35 -62.79 -41.77 0.29 0.00 99.71 0.05 0.02 0.16 99.53 0.24 0.00 0.00 0.00 37 R H H 130.09 1.89 20.88 21.28 91.69 50.38 -64.00 -40.90 0.48 0.00 99.51 0.04 0.02 0.35 99.35 0.23 0.00 0.00 0.00 38 L H H 36.47 9.89 15.32 27.13 92.02 50.84 -65.10 -41.41 0.95 0.00 99.05 0.10 0.05 0.67 98.66 0.51 0.00 0.00 0.00 39 I H H 42.05 15.38 12.97 28.29 92.65 50.50 -65.42 -40.92 2.04 0.01 97.95 0.16 0.11 1.63 97.09 1.00 0.00 0.00 0.00 40 A H H 76.11 3.17 16.15 20.25 91.19 52.21 -66.27 -31.66 9.79 0.03 90.18 0.38 0.47 8.90 89.50 0.72 0.01 0.01 0.01 41 R C T 148.26 2.21 15.39 17.71 94.31 50.16 -87.97 -0.93 78.16 0.06 21.77 1.10 2.96 72.21 22.71 0.93 0.00 0.02 0.06 42 K C T 146.03 4.24 14.88 20.91 94.99 -121.75 60.21 38.24 99.11 0.05 0.84 7.98 2.75 88.58 0.48 0.16 0.00 0.02 0.02 43 I C C 54.50 11.34 12.64 25.45 117.15 167.14 -89.83 137.77 98.89 0.97 0.14 95.61 2.87 0.19 0.07 0.04 0.00 0.21 1.01 44 N C C 65.29 6.99 20.71 28.45 110.85 -125.72 -85.36 122.63 99.81 0.08 0.11 99.10 0.68 0.08 0.04 0.03 0.00 0.02 0.05 45 P H G 18.44 21.25 12.31 33.76 91.13 -139.70 -62.02 -27.56 8.90 0.08 91.02 0.97 0.77 5.68 0.81 91.72 0.00 0.05 0.01 46 R H G 118.64 9.26 17.06 27.15 90.36 66.19 -69.29 -17.15 8.46 0.08 91.45 0.44 0.57 6.32 0.76 91.85 0.00 0.06 0.01 47 D H G 100.42 3.08 19.41 22.76 93.88 58.15 -89.22 -5.52 8.88 0.19 90.93 1.05 1.10 5.36 0.86 91.48 0.00 0.13 0.01 48 I C S 28.65 18.17 9.64 27.57 115.59 94.69 -87.24 133.03 93.91 2.28 3.82 38.85 53.37 1.35 2.43 1.05 0.00 0.49 2.46 49 R C T 163.30 2.63 19.71 22.84 93.28 -138.09 -64.62 -31.15 59.96 0.68 39.35 4.39 8.46 45.44 27.34 13.32 0.16 0.39 0.50 50 W C T 81.56 13.28 16.65 30.12 93.69 58.43 -79.19 -12.46 62.95 0.53 36.52 4.73 7.15 49.73 27.01 10.63 0.09 0.29 0.37 51 T H H 13.93 19.93 14.01 33.67 97.94 67.66 -73.60 -36.85 38.78 1.72 59.50 18.60 7.86 13.75 45.84 12.11 0.09 0.93 0.81 52 T H H 64.46 7.33 19.53 27.41 92.89 61.42 -63.49 -41.68 8.83 0.35 90.82 3.89 1.98 3.15 89.02 1.62 0.01 0.26 0.07 53 S H H 51.81 3.63 20.78 24.32 91.81 50.77 -64.73 -41.47 5.20 0.45 94.35 2.05 0.78 2.47 92.57 1.61 0.01 0.47 0.04 54 S H H 19.40 12.31 16.21 29.97 91.94 49.77 -65.27 -41.28 3.28 0.48 96.25 1.48 0.49 1.50 94.13 1.82 0.01 0.53 0.03 55 R H H 53.55 13.93 13.85 28.28 92.08 51.66 -64.25 -41.51 2.53 0.47 97.00 1.11 0.34 1.19 95.25 1.57 0.01 0.51 0.03 56 E H H 121.04 2.57 16.88 19.84 92.11 50.10 -65.53 -40.42 3.52 0.35 96.13 1.10 0.39 2.03 94.40 1.67 0.02 0.35 0.03 57 F H H 132.93 2.88 16.00 19.38 92.93 48.07 -68.25 -35.55 8.67 0.15 91.17 1.08 0.73 6.57 90.04 1.40 0.03 0.13 0.03 58 F C H 87.04 9.23 12.60 22.95 98.11 41.17 -94.52 -4.03 49.98 0.20 49.81 2.09 3.02 43.02 50.25 1.38 0.04 0.08 0.12 59 G C T 47.04 4.42 14.84 20.25 98.56 -105.67 74.17 15.04 87.42 0.37 12.21 12.82 5.45 68.04 11.96 1.38 0.00 0.19 0.16 60 K C C 98.70 8.28 11.16 20.53 106.50 132.79 -85.26 65.98 78.81 2.52 18.67 57.18 10.11 11.04 13.48 5.59 0.00 1.50 1.09 61 E C C 119.53 4.75 13.13 19.12 104.74 87.79 -82.96 24.09 76.36 4.33 19.31 50.77 12.29 13.18 12.65 6.74 0.00 3.16 1.21 62 S C C 70.68 5.27 11.62 18.27 101.65 67.53 -82.38 -6.23 71.52 7.43 21.05 48.70 12.96 9.93 13.91 7.13 0.01 5.87 1.49 63 Q C C 118.53 4.05 12.34 17.63 106.65 56.57 -93.39 51.34 66.49 12.92 20.59 45.36 12.59 8.35 15.18 5.55 0.04 11.03 1.92 64 Y C C 125.83 7.19 10.46 18.81 115.98 65.58 -98.94 126.77 63.50 16.73 19.77 47.87 9.49 4.96 16.68 3.74 0.03 15.37 1.85 65 V C C 92.07 4.73 11.82 18.04 115.76 -155.19 -103.04 125.46 61.83 18.95 19.22 50.86 5.80 3.30 17.36 2.63 0.01 18.59 1.46 66 V C C 87.27 6.29 10.53 18.21 116.27 -154.34 -102.91 127.92 59.99 19.21 20.81 48.92 5.63 3.57 18.79 2.84 0.02 18.79 1.45 67 E C C 122.47 4.18 11.54 17.12 116.11 -152.66 -102.23 131.35 62.16 17.98 19.86 48.74 7.04 4.35 17.81 3.02 0.02 17.69 1.34 68 K C C 131.58 4.39 10.53 16.53 114.53 -130.98 -88.63 127.47 64.39 17.80 17.82 51.21 6.56 4.77 15.54 3.13 0.02 17.28 1.50 69 M C C 115.10 5.14 9.86 16.56 114.19 -150.46 -99.58 129.57 68.85 17.46 13.68 55.99 6.50 4.24 12.37 2.34 0.01 17.17 1.37 70 N C C 104.76 3.90 10.13 15.66 115.12 -136.76 -98.89 127.69 67.22 22.37 10.41 55.02 6.17 3.97 9.16 2.00 0.01 21.98 1.70 71 V C C 97.00 5.00 9.01 15.70 117.99 -154.69 -104.59 131.95 66.16 25.68 8.16 57.01 4.86 2.50 7.42 1.36 0.00 24.75 2.09 72 Q C C 123.28 3.20 9.06 14.03 115.48 -162.73 -97.57 130.88 72.90 20.72 6.38 64.78 4.30 2.26 6.03 0.89 0.00 20.05 1.69 73 K C C 149.70 2.53 9.36 13.48 112.55 -146.37 -93.96 123.83 88.37 7.79 3.84 80.86 4.63 2.03 3.82 0.47 0.00 7.56 0.63 74 V C C 98.23 4.29 8.00 13.98 117.90 -160.25 -105.96 133.01 89.37 5.57 5.05 81.77 4.64 2.34 4.83 0.65 0.00 5.23 0.54 75 K C C 149.22 2.47 10.29 14.27 111.08 -151.50 -91.97 118.17 81.07 11.24 7.69 71.98 5.46 2.69 6.79 1.12 0.00 11.01 0.96 76 V C C 91.87 5.48 9.92 17.00 116.35 -152.25 -101.34 129.68 67.57 22.19 10.24 59.19 4.93 2.58 8.17 2.00 0.00 21.26 1.87 77 V C C 90.85 6.44 11.24 19.15 117.51 -156.52 -101.49 131.94 59.74 28.56 11.70 49.75 5.55 3.67 8.90 2.83 0.01 26.87 2.43 78 R C C 137.09 5.91 13.12 20.36 116.30 -160.90 -103.09 132.63 60.20 28.31 11.48 42.72 8.72 7.66 8.16 3.37 0.01 27.09 2.27 79 G C C 34.78 9.65 12.67 22.97 121.65 -140.66 -106.24 155.82 64.12 26.18 9.71 43.20 11.39 9.35 6.42 3.34 0.01 23.71 2.57 80 F C C 88.86 10.75 11.57 23.04 115.26 -133.16 -103.52 124.47 64.48 27.52 7.99 50.70 7.41 4.88 5.71 2.75 0.01 21.70 6.85 81 R C T 155.35 4.17 14.02 19.70 111.98 -160.11 -76.69 130.43 77.92 14.46 7.63 13.99 10.65 54.02 4.41 3.23 0.03 11.58 2.09 82 H C T 148.91 2.51 15.20 17.99 97.30 12.98 -29.53 21.15 87.05 5.83 7.12 12.43 15.63 59.31 3.62 3.41 0.01 4.64 0.94 83 I C C 49.52 13.43 8.79 22.49 117.52 130.31 -96.35 136.66 87.08 9.72 3.20 56.00 30.05 1.63 2.69 0.85 0.00 5.34 3.44 84 S C C 55.32 3.05 17.62 20.62 120.24 -124.19 -79.03 160.89 88.96 8.55 2.49 87.83 1.62 0.47 2.29 0.28 0.00 3.54 3.96 85 A H H 64.24 7.42 12.24 21.11 92.00 -109.85 -59.36 -37.38 2.18 0.03 97.80 0.68 0.30 1.09 97.30 0.61 0.00 0.02 0.00 86 S H H 74.96 1.34 16.49 16.69 92.21 53.01 -64.63 -39.43 1.28 0.05 98.67 0.37 0.12 0.73 98.09 0.65 0.00 0.04 0.00 87 S H H 42.67 5.03 15.06 21.61 92.00 50.25 -65.52 -40.65 0.75 0.08 99.18 0.34 0.08 0.34 98.53 0.62 0.00 0.07 0.01 88 L H H 40.53 11.45 12.09 24.77 92.16 51.03 -64.38 -41.79 0.58 0.12 99.30 0.33 0.06 0.22 98.97 0.30 0.00 0.10 0.01 89 E H H 102.95 2.78 16.43 19.53 91.69 50.69 -63.65 -41.28 0.84 0.18 98.98 0.44 0.08 0.33 98.72 0.25 0.00 0.17 0.01 90 R H H 138.97 1.51 16.49 17.04 91.96 50.21 -64.90 -40.98 1.43 0.24 98.33 0.62 0.14 0.66 97.96 0.37 0.00 0.23 0.02 91 A H H 39.98 7.02 12.34 21.25 91.93 50.42 -64.58 -40.04 2.87 0.28 96.86 1.04 0.30 1.48 96.30 0.58 0.00 0.26 0.03 92 K H H 112.76 5.30 12.57 19.29 92.21 51.50 -65.43 -37.05 8.08 0.29 91.64 2.19 0.85 4.86 90.92 0.87 0.01 0.24 0.06 93 E H H 148.93 0.97 13.60 13.83 93.54 50.72 -69.97 -28.00 21.33 0.34 78.33 4.24 2.47 14.04 77.77 1.13 0.02 0.19 0.12 94 A C H 78.22 1.95 11.05 13.80 96.66 57.59 -79.46 -15.28 51.55 0.75 47.71 11.35 10.25 29.20 46.96 1.53 0.05 0.28 0.38 95 G C C 48.64 3.11 11.07 15.76 113.98 -114.46 85.44 149.90 88.81 1.45 9.74 38.62 19.37 31.20 7.57 1.92 0.00 0.66 0.66 96 L C C 107.16 4.18 8.52 14.66 115.20 -105.04 -85.86 134.81 96.56 1.49 1.95 72.04 22.47 2.11 1.17 0.72 0.00 0.68 0.81 97 P C C 97.87 3.18 8.67 13.79 111.79 -115.32 -71.20 145.77 94.32 1.95 3.74 79.86 7.91 6.66 1.48 2.00 0.00 1.09 0.99 98 K C C 157.69 1.87 8.45 12.00 110.60 -130.59 -87.21 125.74 94.19 3.04 2.78 87.71 2.07 4.84 1.06 1.28 0.00 1.61 1.43 99 K C C 153.44 2.26 10.35 14.21 110.63 -135.49 -85.15 120.30 99.90 0.08 0.02 99.79 0.10 0.05 0.01 0.00 0.00 0.04 0.01