# 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 K C C 138.89 3.50 12.26 17.45 114.47 -150.35 -88.94 126.69 99.89 0.08 0.03 99.82 0.08 0.04 0.01 0.00 0.00 0.04 0.01 1 K C C 142.32 3.56 10.07 15.58 113.82 -142.64 -89.81 131.60 87.08 6.51 6.41 75.63 2.39 9.67 2.11 3.34 0.00 5.23 1.63 2 G C C 48.20 4.25 10.95 16.79 114.31 -154.52 -104.45 167.43 82.73 11.11 6.16 48.16 18.17 16.81 1.14 5.06 0.01 9.09 1.56 3 Q C C 121.73 4.05 11.99 17.73 112.94 -98.03 -91.84 130.11 74.16 19.96 5.88 57.48 10.91 5.62 1.45 4.40 0.01 17.81 2.32 4 L C C 88.46 8.57 12.17 21.89 118.13 -156.40 -99.22 136.86 63.73 32.95 3.32 52.24 7.74 2.60 1.53 1.98 0.01 28.42 5.49 5 V C C 72.18 11.01 13.12 24.72 120.06 -153.33 -106.76 134.36 61.31 36.30 2.40 52.39 5.47 1.80 1.27 1.30 0.00 32.33 5.44 6 K C C 108.86 7.87 16.28 25.17 119.53 -156.20 -105.60 135.81 69.16 27.85 2.99 51.78 12.84 3.96 1.29 1.84 0.01 24.75 3.52 7 N C C 81.90 10.03 16.32 26.74 106.99 -126.16 -87.07 103.57 78.15 18.74 3.11 57.04 14.68 6.01 1.03 2.21 0.00 15.63 3.39 8 V C T 45.25 14.93 14.42 29.43 101.63 175.15 -90.65 5.98 82.46 13.73 3.81 32.23 16.69 35.05 1.02 2.57 0.02 9.31 3.11 9 G C T 39.47 7.32 17.84 25.90 101.06 -110.05 82.95 8.50 90.74 6.71 2.54 30.88 23.26 37.45 0.40 2.16 0.00 4.31 1.54 10 I C C 47.13 14.67 10.04 24.94 115.17 127.66 -96.78 126.93 90.41 7.18 2.41 61.44 23.34 5.18 0.63 1.94 0.00 3.32 4.15 11 E C T 153.31 1.52 14.83 17.00 110.73 -123.49 -70.16 132.09 94.13 3.01 2.86 20.91 16.00 57.22 0.50 2.41 0.00 1.91 1.03 12 G C T 64.47 0.96 15.40 15.27 95.81 17.82 81.12 1.25 96.55 1.57 1.88 19.77 16.15 60.54 0.24 1.83 0.00 1.10 0.38 13 V C C 38.39 16.88 7.43 23.22 118.67 122.83 -95.41 134.67 92.20 6.34 1.46 71.78 17.60 2.39 0.47 1.02 0.00 2.53 4.22 14 S C C 83.62 1.78 20.20 21.38 117.14 -136.15 -88.52 140.92 94.48 4.88 0.63 84.70 8.39 1.06 0.24 0.39 0.00 2.23 2.99 15 A C C 55.78 12.71 13.88 26.67 116.31 -103.84 -68.48 144.89 99.05 0.89 0.06 92.94 6.03 0.19 0.02 0.03 0.00 0.42 0.37 16 P C C 33.48 16.82 10.32 26.92 114.90 -105.35 -65.05 148.82 98.64 1.07 0.29 96.25 1.73 0.82 0.06 0.15 0.00 0.44 0.53 17 S C S 93.71 1.53 16.74 18.07 98.34 -140.91 -83.59 -18.93 98.01 1.82 0.17 30.69 65.95 1.69 0.03 0.13 0.00 1.01 0.51 18 K C S 121.96 3.65 16.40 21.16 130.46 25.79 -130.43 153.15 83.77 16.01 0.22 28.53 55.07 1.53 0.04 0.20 0.00 12.34 2.30 19 T C C 82.33 7.56 15.26 24.36 123.72 -129.02 -107.95 145.67 71.36 28.39 0.25 66.93 3.71 0.49 0.09 0.18 0.00 17.73 10.87 20 C C C 24.48 17.63 9.37 26.41 117.88 -135.36 -96.91 137.95 78.90 20.77 0.33 76.60 2.57 0.53 0.12 0.20 0.00 10.09 9.89 21 D C C 121.57 1.43 18.16 19.09 98.74 -168.44 -101.01 5.87 95.41 4.42 0.17 68.24 26.25 1.12 0.04 0.16 0.00 2.21 1.98 22 D C C 52.20 9.74 10.70 22.11 115.05 112.82 -81.80 133.82 93.74 5.67 0.59 64.56 25.84 2.82 0.14 0.52 0.00 1.88 4.24 23 E C T 143.76 2.91 15.02 19.38 92.68 -146.82 -69.83 -21.52 98.93 0.43 0.65 1.45 9.50 87.86 0.03 0.75 0.00 0.27 0.14 24 Y C T 140.46 4.98 15.73 21.81 98.69 51.69 -98.32 7.74 98.02 1.23 0.75 2.65 9.73 85.56 0.04 0.88 0.00 0.81 0.33 25 C C C 18.36 15.73 11.18 27.74 113.87 117.56 -81.68 130.03 88.26 11.37 0.37 48.74 38.63 1.01 0.13 0.23 0.00 3.06 8.19 26 P C T 60.09 9.32 18.01 28.58 92.23 -139.32 -64.19 -24.09 92.58 0.40 7.02 1.74 9.94 80.17 0.29 7.43 0.00 0.23 0.20 27 Y C T 82.71 13.24 17.20 30.42 97.32 52.19 -90.76 -12.10 91.62 1.12 7.26 1.59 10.74 78.98 0.41 7.14 0.00 0.69 0.45 28 H C T 65.67 12.12 16.44 29.03 103.57 55.02 -100.36 14.39 75.96 12.66 11.38 14.77 18.47 41.70 1.41 10.36 0.07 5.86 7.37 29 G C C 28.67 10.19 16.15 26.97 112.54 -107.84 77.51 -138.71 84.33 11.78 3.88 41.15 22.94 20.60 0.97 2.97 0.01 6.80 4.56 30 S C C 72.75 5.10 18.79 24.40 107.15 12.40 -93.95 62.51 78.70 17.98 3.32 48.17 21.86 8.95 1.07 2.37 0.04 9.57 7.97 31 L C C 51.03 15.34 12.05 27.30 117.04 124.15 -91.16 134.57 83.09 15.72 1.19 67.28 13.66 1.52 0.62 0.69 0.00 10.45 5.76 32 K C C 132.89 4.35 18.64 24.14 113.62 -135.13 -87.68 129.78 84.21 14.82 0.97 76.28 6.15 1.39 0.40 0.58 0.00 9.83 5.36 33 V C C 54.55 14.99 12.13 26.80 115.72 -163.61 -105.09 127.01 81.71 16.00 2.29 64.17 11.92 4.82 0.73 1.73 0.00 9.92 6.71 34 R C T 138.91 6.21 16.23 23.66 110.14 -129.53 -74.86 125.48 82.52 14.29 3.19 28.33 23.57 31.98 0.59 2.55 0.01 9.58 3.39 35 G C T 40.28 7.46 17.25 25.30 103.59 9.72 85.12 3.89 85.85 12.62 1.53 20.33 31.13 34.80 0.14 1.51 0.00 11.18 0.92 36 I C C 53.66 13.46 16.01 29.96 120.32 119.87 -103.01 138.17 65.14 34.20 0.67 50.36 12.00 2.27 0.12 0.61 0.00 33.12 1.53 37 V E E 55.67 11.43 20.79 32.74 116.96 -142.60 -102.43 127.57 29.16 70.73 0.11 26.50 2.22 0.24 0.03 0.07 0.00 69.75 1.19 38 L E E 10.99 22.74 17.26 40.14 122.27 -167.16 -111.82 135.47 8.98 90.99 0.03 8.37 0.40 0.04 0.01 0.01 0.00 90.74 0.43 39 E E E 79.07 9.86 25.59 35.67 122.64 -163.18 -114.57 134.54 5.93 94.03 0.03 5.29 0.31 0.04 0.01 0.01 0.00 94.16 0.17 40 G E E 6.35 19.34 19.77 38.90 144.10 142.00 -162.86 173.80 4.29 95.69 0.01 3.29 0.65 0.06 0.00 0.01 0.00 95.96 0.04 41 K E E 85.31 7.67 25.89 34.52 123.56 -90.96 -114.34 139.20 1.37 98.62 0.01 1.19 0.06 0.00 0.00 0.00 0.00 98.71 0.03 42 L E E 15.15 22.79 14.15 37.39 109.36 -116.48 -75.06 124.57 1.06 98.91 0.02 0.94 0.04 0.00 0.01 0.00 0.00 98.97 0.03 43 I E E 75.29 6.88 21.40 29.16 101.35 175.21 -97.68 -31.21 1.92 98.04 0.04 1.28 0.41 0.05 0.01 0.01 0.00 98.20 0.04 44 R E E 117.94 3.84 22.86 27.19 138.06 -0.42 -150.28 151.65 2.45 97.50 0.05 1.73 0.44 0.07 0.01 0.02 0.00 97.67 0.05 45 A E E 44.38 15.99 11.25 26.54 116.30 -145.94 -109.79 122.78 12.07 87.79 0.15 10.82 0.88 0.17 0.03 0.09 0.00 87.72 0.27 46 R E E 130.98 4.84 15.27 21.36 103.69 -173.39 -95.97 -24.25 37.14 61.11 1.74 19.96 14.01 4.65 0.14 1.57 0.00 59.09 0.58 47 A C E 64.87 3.59 15.43 19.58 123.00 -22.01 -126.03 167.91 49.89 47.79 2.32 7.41 22.17 24.42 0.16 2.26 0.01 41.58 1.99 48 N C T 123.74 2.84 15.37 18.99 98.55 -59.51 -51.63 2.38 98.54 0.28 1.18 1.73 19.42 77.32 0.07 1.22 0.00 0.18 0.07 49 R C T 120.71 9.47 15.33 25.21 99.58 2.23 -99.74 16.91 99.08 0.43 0.49 1.48 21.00 76.65 0.02 0.49 0.00 0.32 0.05 50 T E E 31.73 11.28 18.58 31.46 128.21 86.32 -124.19 144.38 8.93 91.06 0.01 6.97 1.28 0.12 0.00 0.01 0.00 91.29 0.33 51 G E E 3.42 20.03 17.36 38.22 132.58 -172.73 -132.76 156.26 1.64 98.36 0.00 1.39 0.05 0.00 0.00 0.00 0.00 98.54 0.02 52 T E E 24.47 11.41 24.91 37.75 120.85 -139.37 -111.39 133.17 0.41 99.59 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 53 V E E 4.95 23.67 18.15 42.46 122.63 -166.29 -116.40 134.17 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 54 E E E 49.42 11.03 24.27 35.98 120.88 -157.11 -109.10 133.06 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 55 R E E 25.93 19.34 16.94 36.32 127.76 -172.62 -125.89 143.04 0.94 99.06 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.05 0.01 56 E E E 75.27 8.98 21.78 31.32 117.25 -139.64 -97.97 130.43 2.76 97.24 0.00 2.59 0.09 0.00 0.00 0.00 0.00 97.29 0.02 57 Y E E 34.07 15.73 16.34 32.92 131.69 175.07 -133.86 150.96 2.36 97.64 0.00 2.25 0.06 0.00 0.00 0.00 0.00 97.67 0.02 58 I E E 57.52 10.51 18.26 30.09 117.21 -132.27 -101.21 129.64 1.04 98.96 0.00 0.98 0.02 0.00 0.00 0.00 0.00 98.99 0.01 59 F E E 58.05 11.63 16.79 29.73 126.64 -173.03 -125.61 140.57 0.21 99.79 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.81 0.00 60 Y E E 109.38 7.16 15.45 24.21 114.80 -130.10 -92.58 127.80 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 61 D E E 29.63 10.56 10.29 23.24 109.52 -153.71 -103.75 109.86 11.09 88.89 0.02 10.50 0.23 0.03 0.00 0.01 0.00 89.04 0.19 62 S C T 80.94 2.38 12.40 16.32 92.96 -165.71 -67.00 -28.32 96.17 0.11 3.72 0.22 1.40 94.53 0.06 3.70 0.00 0.07 0.02 63 K C T 153.32 1.23 12.26 13.56 94.65 52.32 -71.04 -38.80 96.92 0.07 3.02 0.16 1.29 95.33 0.04 3.14 0.00 0.03 0.02 64 Y C T 120.94 4.17 10.67 16.48 98.76 27.83 -102.39 -4.88 97.42 0.06 2.52 0.33 1.72 95.07 0.05 2.79 0.00 0.03 0.01 65 K C T 153.96 2.25 12.54 16.42 93.81 -127.50 57.17 38.38 99.64 0.13 0.23 9.11 2.00 88.59 0.05 0.12 0.00 0.12 0.01 66 R E E 103.10 4.57 13.51 20.09 133.18 120.53 -134.00 157.71 8.79 91.20 0.00 7.47 0.56 0.06 0.00 0.00 0.00 91.74 0.16 67 Y E E 111.43 9.94 12.11 23.23 119.52 -121.21 -100.50 137.12 0.28 99.72 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 68 E E E 65.73 8.88 15.02 25.74 127.65 -172.11 -126.85 143.90 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 69 R E E 129.05 8.33 14.60 24.42 119.85 -135.63 -100.58 135.69 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 70 R E E 82.60 10.03 14.65 26.22 129.38 -175.83 -132.13 146.33 0.82 99.18 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.27 0.01 71 R E E 128.80 8.38 15.26 25.31 123.50 -155.98 -117.93 138.10 2.25 97.75 0.00 1.93 0.11 0.00 0.00 0.00 0.00 97.93 0.02 72 S E E 32.61 11.27 15.45 28.05 133.95 176.84 -136.96 154.60 5.36 94.63 0.00 4.68 0.35 0.01 0.00 0.00 0.00 94.86 0.09 73 R E E 128.59 7.82 18.51 27.57 120.33 -135.40 -108.48 132.45 8.92 91.08 0.00 7.48 1.07 0.02 0.00 0.00 0.00 91.23 0.19 74 I E E 22.68 18.68 15.95 34.88 123.74 -171.29 -120.93 135.17 11.50 88.50 0.00 10.73 0.44 0.01 0.00 0.00 0.00 88.62 0.20 75 H E E 84.03 8.79 23.91 33.24 116.72 -136.35 -88.65 135.53 11.54 88.45 0.01 11.51 0.23 0.01 0.00 0.00 0.00 87.69 0.55 76 V E E 7.57 24.28 15.67 40.23 127.57 -171.21 -124.05 143.93 19.78 80.18 0.04 18.69 0.74 0.06 0.01 0.02 0.00 79.09 1.39 77 H E E 77.44 9.13 24.60 34.17 115.83 -140.12 -99.92 126.86 27.61 72.31 0.08 23.18 4.00 0.20 0.03 0.06 0.00 66.75 5.78 78 I C C 22.08 20.99 14.99 35.67 114.17 -163.75 -111.58 116.67 93.17 6.69 0.14 88.76 4.49 0.21 0.04 0.07 0.00 5.77 0.65 79 P C C 50.53 8.77 18.32 28.35 110.60 -131.74 -68.53 152.56 61.26 1.15 37.59 33.55 7.28 19.53 5.57 32.96 0.00 0.71 0.41 80 S H G 70.19 5.44 18.44 24.63 95.37 -90.20 -66.37 -15.17 48.96 0.53 50.52 7.74 7.58 32.12 7.47 44.51 0.00 0.28 0.30 81 C H G 39.28 15.29 13.77 28.78 95.18 64.48 -76.16 -12.86 39.57 0.72 59.71 12.86 6.90 18.59 7.85 53.10 0.00 0.39 0.31 82 L C G 57.58 15.18 13.84 28.58 99.28 69.33 -85.40 -4.03 53.20 0.80 45.99 12.55 10.76 28.88 7.25 39.67 0.01 0.38 0.51 83 E C T 137.90 2.46 22.63 24.66 98.83 100.14 -85.28 29.39 68.79 0.79 30.42 26.47 9.53 31.50 3.81 27.81 0.00 0.37 0.52 84 V C C 17.72 22.51 9.56 30.84 121.28 135.35 -88.64 145.31 99.10 0.31 0.60 94.54 4.18 0.26 0.11 0.49 0.00 0.08 0.34 85 K C C 127.99 2.34 23.25 25.30 127.79 -158.95 -119.73 154.15 99.52 0.42 0.06 98.82 0.63 0.03 0.02 0.01 0.00 0.07 0.41 86 E C T 114.34 9.41 14.82 25.35 109.94 -84.24 -59.58 134.61 99.79 0.12 0.08 0.13 1.19 98.56 0.01 0.03 0.00 0.04 0.03 87 G C T 41.22 4.39 19.36 24.71 97.59 27.09 91.33 -8.42 99.95 0.03 0.02 0.15 1.03 98.79 0.00 0.01 0.00 0.02 0.00 88 D C C 34.90 13.50 16.16 31.00 117.65 131.31 -70.77 145.78 97.71 2.29 0.00 96.97 1.03 0.01 0.00 0.00 0.00 1.92 0.07 89 N E E 69.14 9.24 23.90 33.49 118.00 -128.63 -93.93 135.36 1.24 98.76 0.00 1.30 0.02 0.00 0.00 0.00 0.00 98.34 0.34 90 V E E 3.27 25.91 16.34 43.03 130.92 -174.10 -130.29 150.47 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 91 I E E 43.64 10.72 27.00 38.95 117.02 -129.63 -99.71 130.50 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 92 I E E 6.32 25.36 18.54 44.20 121.31 -164.34 -111.77 132.75 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 93 G E E 11.79 12.44 25.20 38.09 138.95 166.64 -137.97 167.72 0.70 99.30 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.34 0.01 94 E E E 82.02 13.14 21.85 34.30 119.12 -98.67 -89.72 142.25 4.38 95.61 0.01 4.17 0.17 0.01 0.00 0.00 0.00 95.48 0.16 95 S C E 16.72 19.20 14.20 32.94 130.69 -162.28 -121.84 159.72 52.00 47.94 0.05 48.27 2.15 0.14 0.01 0.04 0.00 48.63 0.77 96 R C C 143.08 3.67 20.28 24.43 115.75 -103.57 -87.02 138.73 78.88 20.94 0.18 56.74 20.31 1.17 0.04 0.18 0.00 20.55 1.02 97 P C C 68.00 11.79 12.24 24.42 111.44 -104.92 -66.48 139.31 84.10 15.10 0.80 63.27 17.33 3.49 0.19 0.66 0.00 13.04 2.02 98 I C S 105.58 5.30 13.91 20.61 98.88 -168.48 -85.88 -27.99 80.49 18.45 1.06 33.12 42.41 6.26 0.29 0.87 0.01 11.14 5.88 99 A C C 49.76 5.09 13.50 20.18 131.44 11.62 -136.83 159.99 83.61 15.41 0.98 39.42 38.81 6.28 0.25 0.83 0.00 8.51 5.91 100 K C S 164.45 1.78 13.71 16.51 92.39 -112.44 -65.91 -25.76 98.78 0.63 0.59 3.45 61.88 33.61 0.06 0.45 0.00 0.39 0.16 101 S C S 67.43 5.07 15.74 21.71 99.70 48.85 -89.23 -17.44 97.08 2.52 0.41 3.54 60.98 32.86 0.03 0.36 0.00 1.93 0.30 102 I E E 46.59 13.70 15.43 29.66 119.32 42.49 -116.88 120.33 45.81 53.97 0.22 35.25 9.43 1.42 0.06 0.23 0.00 49.79 3.83 103 S E E 19.42 13.83 20.37 35.18 128.71 158.70 -122.72 147.22 30.68 69.29 0.03 26.58 2.62 0.21 0.00 0.03 0.00 69.95 0.60 104 F E E 13.65 22.05 19.48 41.42 129.78 -156.90 -123.83 146.11 7.78 92.21 0.01 6.84 0.49 0.03 0.00 0.00 0.00 92.52 0.10 105 V E E 27.64 12.79 25.66 39.37 121.10 -151.37 -114.41 130.89 0.44 99.55 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 106 I E E 11.38 23.09 16.82 40.61 110.11 -124.34 -78.65 123.52 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 107 L E E 60.57 9.50 22.39 32.72 100.62 175.62 -100.11 -26.57 0.58 99.42 0.00 0.43 0.05 0.00 0.00 0.00 0.00 99.51 0.01 108 G E E 21.47 7.09 23.87 32.08 145.05 -24.19 167.25 169.31 1.19 98.81 0.00 0.88 0.14 0.01 0.00 0.00 0.00 98.96 0.01 109 V E E 52.97 17.51 14.10 30.93 122.61 -111.95 -117.05 133.05 5.11 94.88 0.00 5.31 0.10 0.01 0.00 0.00 0.00 94.31 0.28 110 K C C 104.85 7.68 18.30 26.82 113.25 -154.90 -100.33 122.72 95.72 4.28 0.00 95.73 0.08 0.01 0.00 0.00 0.00 4.14 0.04