# 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 104.78 8.32 14.17 23.49 116.18 70.24 -95.87 133.33 99.91 0.08 0.01 99.89 0.05 0.02 0.00 0.00 0.00 0.04 0.01 1 S C C 57.10 9.25 14.12 24.22 117.12 -161.18 -100.44 131.47 94.12 5.39 0.50 90.91 1.18 2.52 0.14 0.25 0.00 3.88 1.11 2 K C C 118.68 6.94 19.20 26.66 106.31 -135.51 -88.68 79.49 87.29 12.03 0.68 63.84 18.56 4.73 0.19 0.62 0.00 8.43 3.62 3 L C C 12.30 24.24 10.93 34.51 119.07 118.15 -97.68 135.28 83.75 16.08 0.17 81.04 2.87 0.12 0.10 0.07 0.00 6.12 9.69 4 R C C 118.54 4.28 23.79 28.31 129.40 -164.48 -118.49 155.43 97.17 2.77 0.06 97.20 0.57 0.06 0.02 0.02 0.00 1.01 1.11 5 K C T 120.66 9.02 15.18 25.37 109.90 -84.76 -59.43 134.87 99.58 0.29 0.12 0.12 0.90 98.75 0.00 0.06 0.00 0.13 0.04 6 G C T 44.54 3.84 19.75 24.41 95.72 25.28 89.91 -6.65 99.91 0.05 0.03 0.14 0.99 98.81 0.00 0.02 0.00 0.03 0.00 7 D C C 30.69 14.71 15.26 31.08 118.48 133.17 -70.98 147.73 98.10 1.90 0.00 97.07 1.10 0.02 0.00 0.00 0.00 1.73 0.06 8 T E E 59.65 8.44 24.63 33.51 115.31 -120.14 -86.92 133.24 3.39 96.61 0.01 3.46 0.10 0.00 0.00 0.00 0.00 95.34 1.09 9 V E E 3.00 25.91 16.97 43.59 131.98 -172.38 -129.65 150.80 1.46 98.53 0.01 1.33 0.06 0.01 0.00 0.00 0.00 98.52 0.07 10 I E E 37.48 11.16 26.43 38.80 118.22 -134.90 -105.72 130.28 2.52 97.33 0.15 2.27 0.18 0.08 0.06 0.07 0.00 97.19 0.14 11 V E E 8.68 22.52 17.17 40.48 109.20 -125.74 -78.16 121.69 16.18 83.68 0.13 15.57 0.74 0.14 0.04 0.08 0.00 82.60 0.84 12 I C C 55.61 10.19 21.95 33.15 100.09 175.57 -101.01 -24.29 85.24 14.45 0.31 65.77 17.65 1.55 0.06 0.29 0.00 13.63 1.06 13 A C S 44.85 6.18 21.71 28.76 139.98 12.28 -150.01 156.44 93.42 5.93 0.65 16.91 72.40 4.52 0.11 0.51 0.00 3.94 1.60 14 G C S 36.56 4.22 18.93 24.25 128.12 34.63 95.50 -164.63 94.00 1.73 4.28 7.60 77.51 9.28 0.49 3.26 0.00 0.72 1.13 15 K C T 155.27 2.45 18.33 21.38 92.96 -44.60 -69.02 -21.84 88.72 0.88 10.39 1.70 21.03 65.88 0.38 10.04 0.00 0.43 0.53 16 D C T 37.74 15.58 12.76 28.65 96.53 50.34 -99.05 9.56 91.08 1.12 7.79 4.97 11.09 73.70 0.37 8.69 0.00 0.69 0.48 17 K C T 102.64 10.35 14.30 25.98 111.16 129.03 -61.25 132.15 96.71 1.31 1.97 1.85 3.08 92.07 0.21 1.54 0.00 0.72 0.53 18 G C T 46.70 4.62 19.56 24.98 93.91 21.24 87.03 -3.10 97.92 1.21 0.87 1.86 3.54 92.59 0.07 0.79 0.00 1.03 0.13 19 K C C 85.83 9.30 18.87 29.19 120.04 125.14 -78.71 145.84 93.92 5.79 0.29 87.50 5.38 0.80 0.05 0.25 0.00 5.63 0.38 20 Q E E 88.36 11.69 19.95 31.97 127.21 -148.66 -111.89 145.23 10.02 89.90 0.08 9.34 0.80 0.09 0.05 0.04 0.00 81.69 7.99 21 G E E 9.96 14.05 21.10 35.89 143.98 138.79 -164.13 -174.99 6.89 93.08 0.02 5.20 1.43 0.07 0.01 0.01 0.00 93.17 0.11 22 T E E 53.88 7.82 25.84 34.61 120.83 -76.38 -100.57 139.67 2.05 97.94 0.01 1.92 0.08 0.00 0.00 0.00 0.00 97.87 0.12 23 V E E 6.15 24.86 14.00 39.83 109.44 -115.43 -76.44 125.71 4.64 95.32 0.04 4.55 0.12 0.01 0.01 0.02 0.00 95.13 0.15 24 Q E E 79.53 7.27 22.96 30.80 101.31 175.86 -97.42 -30.26 5.43 94.52 0.05 4.43 0.75 0.05 0.01 0.03 0.00 94.65 0.08 25 A E E 48.18 5.30 24.81 30.75 139.92 -0.30 -155.48 151.91 3.51 96.45 0.04 3.03 0.29 0.04 0.01 0.02 0.00 96.52 0.09 26 V E E 46.84 19.57 12.11 30.49 120.72 -155.34 -118.81 126.44 17.83 82.13 0.04 16.57 0.68 0.08 0.01 0.02 0.00 82.30 0.33 27 K C C 98.26 4.46 18.01 23.26 124.74 176.46 -125.17 145.67 58.36 41.52 0.13 54.19 2.07 0.38 0.03 0.09 0.00 42.54 0.70 28 N C T 126.50 1.97 16.94 19.19 98.21 -74.71 -34.09 -55.24 98.49 1.12 0.39 21.69 27.42 49.39 0.04 0.40 0.00 0.94 0.12 29 D C T 79.52 10.20 14.77 25.40 99.14 3.25 -105.08 9.15 98.77 0.90 0.33 16.32 28.43 54.00 0.02 0.39 0.00 0.76 0.09 30 R E E 78.85 10.48 20.05 31.34 136.28 73.15 -134.73 154.75 18.39 81.55 0.06 14.23 3.39 0.33 0.01 0.05 0.00 81.60 0.39 31 I E E 6.97 23.52 15.93 40.19 122.42 -150.03 -118.71 132.37 1.38 98.62 0.00 1.22 0.04 0.00 0.00 0.00 0.00 98.72 0.02 32 K E E 55.48 9.47 25.99 36.38 117.74 -157.66 -108.35 127.70 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 33 V E E 7.06 23.96 15.84 40.10 119.01 -169.26 -114.72 127.29 0.44 99.56 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.59 0.01 34 E E E 93.13 6.49 23.07 29.89 120.37 -152.97 -93.83 144.91 15.01 84.85 0.14 6.09 5.06 3.38 0.01 0.14 0.00 85.15 0.16 35 G C E 36.09 5.93 22.10 28.71 97.23 16.74 77.20 13.87 63.20 36.54 0.26 14.32 35.34 11.54 0.01 0.27 0.00 38.23 0.28 36 I C C 30.82 21.37 13.20 33.52 113.65 152.03 -88.60 126.53 62.55 36.98 0.47 54.87 5.56 1.15 0.08 0.39 0.00 37.31 0.64 37 N C E 69.87 8.99 20.79 30.13 114.51 -148.33 -101.16 118.14 50.73 48.94 0.34 39.28 9.37 1.77 0.05 0.31 0.00 48.44 0.78 38 I E E 71.62 12.54 16.48 29.36 118.44 -152.73 -101.47 131.25 15.90 84.02 0.08 13.36 2.21 0.22 0.02 0.06 0.00 83.43 0.71 39 V E E 51.59 11.07 15.10 27.55 124.68 -172.59 -119.87 138.34 5.52 94.46 0.02 4.93 0.42 0.04 0.01 0.01 0.00 94.35 0.25 40 T E E 76.25 7.79 15.08 24.21 117.04 -139.07 -98.24 131.51 4.91 95.07 0.01 4.45 0.28 0.03 0.00 0.01 0.00 95.09 0.14 41 K E E 100.05 7.63 13.78 22.96 123.60 -170.02 -119.38 140.14 8.93 91.03 0.04 7.80 0.90 0.09 0.01 0.02 0.00 90.90 0.28 42 H E E 115.93 6.10 12.18 20.05 115.09 -128.64 -94.28 129.58 17.80 82.13 0.06 16.17 1.33 0.14 0.02 0.04 0.00 81.11 1.18 43 Q E E 90.45 7.21 11.33 20.28 123.59 -169.85 -114.64 144.46 38.70 61.20 0.10 34.05 4.02 0.28 0.03 0.07 0.00 58.31 3.23 44 K C C 142.70 2.54 13.20 17.07 115.87 -114.80 -85.10 135.38 80.34 19.53 0.13 73.96 4.97 0.32 0.04 0.09 0.00 19.78 0.85 45 P C C 71.82 7.05 9.27 18.04 114.07 -106.13 -68.04 148.44 81.30 16.82 1.89 69.87 8.58 2.24 0.79 1.16 0.00 14.31 3.03 46 N C C 80.39 4.41 9.13 15.59 109.08 -122.59 -90.28 114.55 66.49 31.51 2.00 57.47 5.12 1.17 1.30 0.80 0.01 11.50 22.64 47 Q C G 141.45 1.70 8.94 12.29 94.01 -155.61 -66.46 -29.42 53.10 1.17 45.73 3.94 6.82 40.83 3.01 44.17 0.03 0.72 0.47 48 A C T 96.72 0.67 9.58 10.07 93.83 55.46 -70.83 -30.37 56.70 0.51 42.79 3.09 5.59 45.90 2.74 42.11 0.01 0.30 0.27 49 T C T 94.27 1.91 9.33 12.13 98.06 34.07 -95.73 -6.14 55.06 0.56 44.38 2.40 5.84 44.88 3.13 43.14 0.01 0.31 0.30 50 G C T 57.87 1.56 10.79 13.37 96.25 -114.77 76.59 13.55 97.28 1.58 1.13 26.02 9.43 61.93 0.22 0.81 0.00 1.30 0.29 51 V C C 76.51 4.93 9.23 16.29 120.74 136.09 -99.55 145.04 62.47 36.72 0.81 50.15 9.95 1.47 0.39 0.53 0.00 20.39 17.12 52 E C C 146.04 1.94 14.25 17.14 113.03 -108.29 -76.54 135.41 68.96 30.51 0.53 59.01 6.88 1.58 0.20 0.41 0.00 23.81 8.10 53 G C C 30.49 11.43 10.03 21.69 122.95 -159.04 -109.47 172.43 78.11 21.70 0.19 59.33 16.05 2.15 0.03 0.20 0.00 21.16 1.08 54 G E E 35.26 4.74 16.27 21.90 128.95 -140.66 148.82 -172.40 44.01 55.92 0.07 34.02 8.47 0.67 0.01 0.07 0.00 56.08 0.68 55 I E E 94.95 9.32 12.59 23.07 119.77 -80.24 -103.79 133.46 7.64 92.35 0.00 6.92 0.45 0.02 0.00 0.00 0.00 92.27 0.34 56 L E E 70.56 7.74 14.06 23.59 124.75 -170.61 -121.52 138.56 1.18 98.82 0.00 1.12 0.03 0.00 0.00 0.00 0.00 98.82 0.03 57 K E E 127.14 6.94 13.72 22.75 119.14 -147.67 -105.28 132.88 1.27 98.73 0.00 1.08 0.05 0.00 0.00 0.00 0.00 98.85 0.01 58 Q E E 77.13 7.09 16.06 24.83 133.53 168.75 -139.65 152.11 1.64 98.35 0.00 1.46 0.07 0.00 0.00 0.00 0.00 98.45 0.02 59 E E E 105.55 9.07 15.92 26.10 117.06 -117.11 -85.16 136.06 4.17 95.83 0.00 4.01 0.14 0.01 0.00 0.00 0.00 95.71 0.14 60 A E E 23.60 14.02 16.37 31.38 135.50 170.00 -141.02 154.92 21.07 78.93 0.01 20.39 0.38 0.02 0.00 0.00 0.00 79.02 0.18 61 F E E 103.34 8.45 22.31 30.94 114.48 -105.19 -74.14 138.69 20.97 79.03 0.01 18.79 1.52 0.05 0.00 0.01 0.00 79.16 0.47 62 L E E 10.27 23.98 14.74 38.83 123.87 -164.13 -118.08 139.42 21.08 78.91 0.01 20.44 0.75 0.02 0.00 0.01 0.00 74.20 4.57 63 H E E 67.06 8.76 25.13 34.38 113.27 -129.72 -85.17 131.53 34.42 65.56 0.02 36.72 0.36 0.01 0.01 0.01 0.00 57.21 5.67 64 I H G 27.08 22.08 16.84 38.54 91.59 -128.96 -60.25 -31.39 6.27 0.25 93.48 0.78 0.67 3.65 0.60 94.07 0.00 0.23 0.00 65 S H G 53.41 10.00 22.74 33.53 90.20 66.27 -70.46 -15.36 5.57 0.18 94.26 0.28 0.44 3.94 0.45 94.76 0.00 0.14 0.00 66 N H G 47.13 13.90 21.87 36.28 97.10 56.01 -99.16 4.17 6.65 0.23 93.12 0.79 0.79 3.81 0.39 94.03 0.00 0.19 0.00 67 V E E 5.33 25.36 18.09 44.02 122.11 94.79 -104.87 138.28 37.94 60.94 1.13 33.16 4.31 0.44 0.55 0.66 0.00 56.34 4.53 68 A E E 18.37 15.83 26.11 41.70 128.22 -166.85 -120.76 145.04 24.56 75.36 0.09 24.14 0.58 0.06 0.04 0.04 0.00 72.88 2.26 69 I E E 14.87 21.47 22.54 43.71 117.72 -138.53 -102.25 127.99 13.54 86.41 0.05 12.04 1.42 0.11 0.02 0.03 0.00 85.80 0.59 70 L E E 31.61 14.08 20.86 35.82 119.96 -162.78 -111.28 132.19 4.48 95.48 0.05 4.15 0.24 0.02 0.08 0.01 0.00 84.59 10.92 71 N E E 25.84 12.65 15.57 30.40 108.61 -134.62 -87.39 116.07 45.82 54.14 0.03 45.99 0.58 0.05 0.01 0.02 0.00 51.56 1.79 72 A C T 55.92 8.51 15.06 25.18 93.26 -156.01 -66.37 -26.66 99.41 0.07 0.52 0.25 2.27 96.95 0.01 0.46 0.00 0.04 0.02 73 Q C T 130.81 1.97 15.41 17.60 96.71 48.05 -74.34 -39.55 99.33 0.05 0.63 0.17 1.94 97.28 0.01 0.57 0.00 0.02 0.01 74 T C T 72.23 4.18 13.16 18.65 100.11 23.13 -101.91 -13.36 99.46 0.04 0.51 0.42 2.43 96.56 0.01 0.56 0.00 0.02 0.01 75 Q C T 124.45 5.07 13.09 20.35 94.19 -129.30 63.05 27.19 99.32 0.43 0.25 39.18 5.76 54.46 0.06 0.16 0.00 0.30 0.09 76 K E E 111.67 3.60 18.26 22.91 125.40 128.05 -105.93 149.20 46.25 53.66 0.09 35.52 10.75 0.58 0.03 0.09 0.00 49.88 3.16 77 A E E 45.85 13.60 15.10 28.78 114.11 -104.79 -69.29 141.69 4.76 95.22 0.02 4.36 0.27 0.02 0.02 0.01 0.00 83.12 12.21 78 D E E 37.61 14.82 16.93 31.89 122.88 -162.07 -113.50 154.79 36.79 63.19 0.02 32.26 2.66 0.11 0.00 0.02 0.00 64.64 0.29 79 R E E 99.54 9.86 22.38 32.43 119.79 -115.72 -102.73 135.12 20.52 79.45 0.03 18.21 1.80 0.11 0.00 0.03 0.00 78.75 1.10 80 I E E 29.10 20.22 15.63 35.46 119.22 -151.62 -105.41 131.35 21.06 78.93 0.01 20.41 0.36 0.01 0.00 0.00 0.00 78.94 0.27 81 T E E 37.62 9.99 22.00 32.75 130.26 -170.55 -125.79 159.00 11.11 88.89 0.00 10.19 0.37 0.01 0.00 0.00 0.00 89.35 0.08 82 Y E E 85.40 15.25 15.73 30.78 127.48 -144.31 -123.96 141.33 2.32 97.68 0.00 2.18 0.05 0.00 0.00 0.00 0.00 97.68 0.08 83 Q E E 73.20 8.00 17.78 27.09 131.36 -176.92 -133.78 150.61 0.73 99.27 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.31 0.02 84 F E E 112.84 6.98 14.18 22.76 116.52 -126.75 -96.33 130.40 2.98 97.02 0.00 2.86 0.10 0.01 0.00 0.00 0.00 96.22 0.81 85 G C C 19.80 9.76 9.11 20.46 124.71 -142.82 -85.64 175.11 96.57 3.39 0.04 96.75 0.31 0.09 0.01 0.01 0.00 2.51 0.32 86 E C T 167.48 0.86 10.97 12.04 91.68 -89.15 -64.38 -22.87 98.76 0.33 0.92 0.50 3.91 94.27 0.02 1.04 0.00 0.21 0.06 87 D C T 117.22 0.98 10.71 11.65 93.35 54.01 -87.66 1.99 99.01 0.06 0.93 0.24 2.93 95.71 0.01 1.07 0.00 0.03 0.01 88 G C S 48.65 3.18 11.24 16.08 96.23 -103.21 85.56 6.20 99.12 0.22 0.66 13.59 84.05 1.64 0.04 0.49 0.00 0.09 0.10 89 K C C 99.79 4.54 12.88 19.35 118.37 135.54 -82.54 145.54 96.39 3.60 0.01 96.01 0.90 0.04 0.00 0.00 0.00 2.71 0.34 90 K E E 99.36 8.94 14.62 24.86 118.84 -128.80 -96.60 135.37 0.91 99.09 0.00 0.91 0.03 0.00 0.00 0.00 0.00 98.72 0.34 91 Q E E 29.69 14.55 16.65 32.42 130.95 -175.18 -130.16 149.85 0.52 99.48 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.51 0.00 92 R E E 56.20 13.65 20.70 34.98 116.68 -129.27 -96.60 130.97 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 93 V E E 19.60 15.07 19.39 35.69 126.95 -169.52 -122.64 140.66 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.86 0.02 94 Y E E 27.09 15.17 15.69 32.61 109.80 -121.75 -78.60 123.32 4.54 95.45 0.01 4.42 0.10 0.01 0.00 0.00 0.00 95.18 0.29 95 R C T 112.03 9.90 16.93 27.75 93.69 -151.26 -66.54 -30.35 99.07 0.57 0.36 0.69 3.04 95.49 0.01 0.31 0.00 0.40 0.05 96 S C T 75.63 3.71 17.29 21.72 97.08 48.10 -77.62 -37.90 99.24 0.30 0.46 0.20 1.80 97.42 0.01 0.34 0.00 0.12 0.12 97 N C T 85.48 4.23 16.08 21.22 102.13 19.27 -107.84 -12.91 99.46 0.14 0.39 0.65 2.76 96.12 0.02 0.34 0.00 0.08 0.03 98 G C C 33.88 10.57 13.32 24.86 94.98 -123.48 77.90 8.49 99.35 0.48 0.18 77.93 5.67 15.75 0.04 0.12 0.00 0.37 0.11 99 E C C 93.57 4.63 18.05 24.06 117.28 144.92 -75.62 143.25 84.55 15.41 0.04 82.16 2.41 0.14 0.01 0.02 0.00 14.67 0.59 100 V E E 74.03 11.29 16.06 27.88 112.89 -119.71 -81.51 130.14 1.79 98.20 0.01 1.79 0.08 0.01 0.01 0.00 0.00 81.34 16.77 101 V E E 41.24 14.44 13.70 28.57 114.11 -168.98 -102.63 128.90 26.39 73.48 0.13 23.96 1.32 0.19 0.03 0.09 0.00 73.88 0.52 102 A C E 69.29 4.95 17.51 23.43 119.80 -77.67 -96.58 144.03 51.63 47.83 0.54 44.77 4.19 1.12 0.12 0.41 0.00 48.51 0.88 103 T C C 71.48 10.87 10.76 22.08 117.97 -146.39 -101.96 138.12 83.43 15.80 0.77 81.48 1.07 1.08 0.19 0.40 0.00 14.52 1.26 104 A C C 76.18 4.22 14.22 19.79 111.17 -139.89 -83.15 130.35 99.86 0.13 0.01 99.79 0.08 0.04 0.00 0.00 0.00 0.08 0.01