#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ryu s SER 2 N 0.00 6.20 0.51 6.43 0.15 -1.26 -4.99 113.70 120.74 1ryu s SER 2 Ca 0.00 -1.50 0.09 0.00 0.70 0.00 0.00 55.95 55.24 1ryu s SER 2 Cb 0.00 -2.29 0.05 0.00 -1.71 0.00 0.00 66.02 62.07 1ryu s SER 2 CO 0.00 -1.08 0.67 0.42 1.20 0.00 0.00 173.24 174.45 1ryu s THR 3 N 2.55 2.49 0.19 6.45 -4.23 -1.26 -4.99 115.64 116.84 1ryu s THR 3 Ca 0.11 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 59.52 1ryu s THR 3 Cb -0.24 -2.52 -0.06 0.00 1.34 0.00 0.00 72.50 71.02 1ryu s THR 3 CO 0.05 0.00 0.47 0.42 -0.54 0.00 0.00 174.62 175.02 1ryu s THR 4 N -2.54 5.05 -1.37 3.99 -4.23 -1.26 -3.41 115.64 111.86 1ryu s THR 4 Ca 0.58 0.24 0.14 0.00 -1.18 0.00 0.00 61.69 61.46 1ryu s THR 4 Cb -0.07 -3.63 0.23 0.00 1.34 0.00 0.00 72.50 70.36 1ryu s THR 4 CO 0.35 -0.04 1.38 0.41 -0.54 0.00 0.00 174.62 176.18 1ryu n THR 5 N -0.10 0.68 -0.87 3.99 -1.04 -1.26 -4.81 114.28 110.87 1ryu n THR 5 Ca -0.01 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1ryu n THR 5 Cb 0.52 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 1ryu n THR 5 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ryu n ASN 6 N -1.31 -0.81 -4.42 8.00 5.03 -1.26 -4.91 115.26 115.57 1ryu n ASN 6 Ca 0.06 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.07 1ryu n ASN 6 Cb 0.12 -0.96 -0.09 0.00 -1.02 0.00 0.00 39.78 37.83 1ryu n ASN 6 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1ryu s GLU 7 N -0.40 2.99 -0.02 3.52 2.56 -1.26 -4.87 118.70 121.22 1ryu s GLU 7 Ca 0.00 -1.18 -0.24 0.00 0.00 0.00 0.00 54.97 53.54 1ryu s GLU 7 Cb 0.00 -4.07 -0.19 0.00 2.00 0.00 0.00 34.13 31.87 1ryu s GLU 7 CO 0.00 -0.92 1.23 -0.22 -0.56 0.00 0.00 175.26 174.79 1ryu h LYS 8 N 8.71 0.12 0.00 4.30 1.63 -1.93 -3.43 116.57 125.97 1ryu h LYS 8 Ca -0.28 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1ryu h LYS 8 Cb 1.11 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1ryu h LYS 8 CO 0.82 0.64 0.00 0.44 -3.45 0.00 0.00 179.45 177.90 1ryu n ILE 9 N -4.71 0.00 0.00 2.00 -0.00 -1.26 -4.72 119.36 110.67 1ryu n ILE 9 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 1ryu n ILE 9 Cb 0.33 -1.77 0.00 0.00 -0.00 0.00 0.00 39.64 38.19 1ryu n ILE 9 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1ryu n THR 10 N -1.20 0.00 0.30 7.28 5.66 -1.26 -4.83 114.28 120.23 1ryu n THR 10 Ca 0.00 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.18 1ryu n THR 10 Cb 0.00 0.00 1.01 0.00 -1.55 0.00 0.00 70.33 69.79 1ryu n THR 10 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1ryu h LYS 11 N 0.00 0.00 -0.07 1.09 3.64 -1.90 0.81 116.57 120.14 1ryu h LYS 11 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1ryu h LYS 11 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ryu h LYS 11 CO 0.00 0.00 0.05 -0.07 -2.27 0.00 0.00 179.45 177.16 1ryu h LEU 12 N 0.00 0.03 -0.71 5.20 3.38 -1.97 -2.87 115.31 118.38 1ryu h LEU 12 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ryu h LEU 12 Cb 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ryu h LEU 12 CO -0.00 0.02 0.30 0.00 0.09 0.00 0.00 178.44 178.85 1ryu n TYR 13 N -4.52 0.36 -3.87 1.13 0.18 0.28 -4.71 117.16 106.00 1ryu n TYR 13 Ca -0.01 0.19 -0.02 0.00 1.88 0.00 0.00 57.90 59.94 1ryu n TYR 13 Cb 0.13 -0.59 0.02 0.00 -0.38 0.00 0.00 39.34 38.52 1ryu n TYR 13 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1ryu n GLU 14 N -1.93 0.50 -2.73 -3.48 0.28 -1.08 -5.11 120.64 107.09 1ryu n GLU 14 Ca -0.01 -1.21 -0.08 0.00 -0.16 0.00 0.00 57.16 55.71 1ryu n GLU 14 Cb 0.32 1.67 0.06 0.00 1.43 0.00 0.00 31.44 34.92 1ryu n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1ryu n LEU 15 N 0.00 -2.57 0.00 -1.84 7.94 -1.26 -4.94 117.00 114.34 1ryu n LEU 15 Ca -0.01 -3.12 0.00 0.00 -1.11 0.00 0.00 56.01 51.78 1ryu n LEU 15 Cb 0.52 0.82 0.00 0.00 0.53 0.00 0.00 43.42 45.29 1ryu n LEU 15 CO 0.18 1.94 0.00 0.61 -1.11 0.00 0.00 177.39 179.01 1ryu n GLY 16 N 1.42 4.80 0.78 -3.96 0.00 -1.26 -5.02 105.19 101.96 1ryu n GLY 16 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1ryu n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ryu n GLY 17 N -1.78 2.82 2.43 -0.02 0.00 -1.26 -4.83 105.19 102.55 1ryu n GLY 17 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 1ryu n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ryu n GLU 18 N 0.00 1.69 0.23 1.61 -0.58 -1.26 -4.89 120.64 117.43 1ryu n GLU 18 Ca 0.00 -3.85 0.09 0.00 -0.42 0.00 0.00 57.16 52.98 1ryu n GLU 18 Cb 0.00 -1.87 0.53 0.00 -0.57 0.00 0.00 31.44 29.53 1ryu n GLU 18 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1ryu h PRO 19 N 3.02 0.00 0.03 3.49 0.13 -1.97 0.06 132.00 136.75 1ryu h PRO 19 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ryu h PRO 19 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ryu h PRO 19 CO 0.60 0.23 -0.02 0.93 -0.23 0.00 0.00 178.00 179.52 1ryu h GLU 20 N 0.00 -0.04 -0.13 0.86 5.08 -1.98 0.67 114.58 119.04 1ryu h GLU 20 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1ryu h GLU 20 Cb 0.59 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ryu h GLU 20 CO 0.03 0.52 -0.48 0.00 -1.00 0.00 0.00 179.01 178.08 1ryu h ARG 21 N -0.64 0.32 -0.20 2.33 -0.00 -1.94 -0.37 114.38 113.88 1ryu h ARG 21 Ca -0.00 -0.18 -0.15 0.00 -0.50 0.00 0.00 59.98 59.15 1ryu h ARG 21 Cb 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.55 1ryu h ARG 21 CO 0.01 0.74 -0.48 1.57 0.00 0.00 0.00 179.97 181.80 1ryu h LYS 22 N 0.26 0.53 -0.13 0.04 2.10 -1.02 0.20 116.57 118.56 1ryu h LYS 22 Ca 0.01 -0.30 -0.03 0.00 -2.00 0.00 0.00 60.65 58.33 1ryu h LYS 22 Cb 0.95 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1ryu h LYS 22 CO 0.08 0.90 -0.03 1.98 -2.00 0.00 0.00 179.45 180.38 1ryu h MET 23 N 0.42 0.25 -0.81 0.07 4.05 -0.60 -1.14 114.93 117.16 1ryu h MET 23 Ca 0.02 -0.09 0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1ryu h MET 23 Cb 1.00 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.74 1ryu h MET 23 CO 0.09 0.54 0.53 -1.49 0.23 0.00 0.00 176.91 176.81 1ryu h TRP 24 N -0.06 1.02 -0.76 1.39 6.55 -0.97 -0.11 115.95 123.01 1ryu h TRP 24 Ca 0.03 0.02 0.05 0.00 0.95 0.00 0.00 58.89 59.94 1ryu h TRP 24 Cb 0.45 -0.35 -0.05 0.00 -0.86 0.00 0.00 29.16 28.35 1ryu h TRP 24 CO 0.05 0.65 0.47 -0.24 -1.05 0.00 0.00 178.44 178.32 1ryu h VAL 25 N 1.10 1.06 -0.60 1.49 3.04 -0.44 0.10 116.25 121.99 1ryu h VAL 25 Ca 0.30 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 65.65 1ryu h VAL 25 Cb -0.12 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 29.23 1ryu h VAL 25 CO -0.06 0.16 0.25 -0.78 -1.01 0.00 0.00 177.57 176.13 1ryu h ASP 26 N 0.89 0.80 -0.22 3.17 1.82 -0.02 -1.39 116.42 121.47 1ryu h ASP 26 Ca 0.32 -0.10 -0.07 0.00 -0.39 0.00 0.00 57.03 56.79 1ryu h ASP 26 Cb 0.09 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.88 1ryu h ASP 26 CO -0.14 0.71 -0.09 0.03 -1.61 0.00 0.00 179.24 178.14 1ryu h ARG 27 N 0.86 0.59 -0.27 0.28 2.47 0.77 -1.10 114.38 117.98 1ryu h ARG 27 Ca 0.21 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1ryu h ARG 27 Cb 0.16 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 1ryu h ARG 27 CO -0.02 0.68 0.05 -0.92 0.56 0.00 0.00 179.97 180.32 1ryu h TYR 28 N 0.54 0.47 -0.18 3.04 3.20 0.13 0.37 116.97 124.54 1ryu h TYR 28 Ca 0.10 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1ryu h TYR 28 Cb 0.49 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1ryu h TYR 28 CO 0.02 0.54 0.10 -0.07 -1.64 0.00 0.00 178.16 177.10 1ryu h LEU 29 N 0.27 0.23 -1.58 2.82 -0.00 -1.09 -0.97 115.31 114.99 1ryu h LEU 29 Ca 0.08 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1ryu h LEU 29 Cb 0.31 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 1ryu h LEU 29 CO 0.00 0.25 -0.03 0.00 -0.00 0.00 0.00 178.44 178.67 1ryu h ALA 30 N 0.98 1.66 -0.29 1.53 0.00 -1.08 -1.58 119.26 120.48 1ryu h ALA 30 Ca 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ryu h ALA 30 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ryu h ALA 30 CO -0.01 0.26 0.07 0.35 0.00 0.00 0.00 179.25 179.91 1ryu h PHE 31 N 0.23 0.48 -0.52 0.00 3.57 0.50 0.19 116.94 121.39 1ryu h PHE 31 Ca 0.05 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1ryu h PHE 31 Cb 0.21 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1ryu h PHE 31 CO 0.00 0.53 0.21 1.79 -2.23 0.00 0.00 178.31 178.61 1ryu h THR 32 N 0.29 1.22 -0.05 4.41 1.35 -0.61 -2.23 112.91 117.28 1ryu h THR 32 Ca 0.09 -0.68 -0.07 0.00 -0.55 0.00 0.00 66.41 65.20 1ryu h THR 32 Cb 0.29 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 1ryu h THR 32 CO 0.00 0.26 -0.30 -0.33 -0.25 0.00 0.00 175.52 174.90 1ryu h GLU 33 N 0.71 0.09 -0.92 4.72 5.08 -1.16 -2.18 114.58 120.92 1ryu h GLU 33 Ca 0.17 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1ryu h GLU 33 Cb 0.20 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1ryu h GLU 33 CO -0.01 0.39 0.60 1.49 -1.00 0.00 0.00 179.01 180.47 1ryu h GLU 34 N 0.08 1.13 -0.22 2.33 4.57 0.01 -0.66 114.58 121.82 1ryu h GLU 34 Ca 0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1ryu h GLU 34 Cb 0.57 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1ryu h GLU 34 CO 0.04 0.75 0.00 1.63 -1.18 0.00 0.00 179.01 180.25 1ryu n LYS 35 N -4.50 1.58 -1.36 1.92 4.01 -1.10 -4.85 118.16 113.86 1ryu n LYS 35 Ca 0.12 -0.90 -0.13 0.00 -0.51 0.00 0.00 58.31 56.90 1ryu n LYS 35 Cb 0.09 -1.25 -0.05 0.00 -0.51 0.00 0.00 35.03 33.30 1ryu n LYS 35 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ryu n ALA 36 N 0.19 -0.19 0.27 7.82 0.00 -0.26 -4.80 120.51 123.54 1ryu n ALA 36 Ca 0.11 0.21 0.17 0.00 0.00 0.00 0.00 53.44 53.93 1ryu n ALA 36 Cb 0.23 -1.83 0.92 0.00 0.00 0.00 0.00 19.45 18.78 1ryu n ALA 36 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1ryu h MET 37 N 0.00 0.00 0.00 0.00 -1.53 -1.62 -3.45 114.93 108.33 1ryu h MET 37 Ca -0.26 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.00 1ryu h MET 37 Cb 1.21 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.26 1ryu h MET 37 CO 0.38 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.84 1ryu n GLY 38 N -1.31 3.33 0.16 1.39 0.00 -1.25 -4.98 105.19 102.53 1ryu n GLY 38 Ca -0.01 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.85 1ryu n GLY 38 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ryu n MET 39 N 0.00 1.22 0.00 1.61 0.00 -1.26 -4.38 117.12 114.31 1ryu n MET 39 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 57.70 57.37 1ryu n MET 39 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 31.83 1ryu n MET 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1ryu n THR 40 N -0.52 0.00 -3.38 3.17 5.66 -1.26 -4.96 114.28 112.99 1ryu n THR 40 Ca 0.18 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.80 1ryu n THR 40 Cb 0.16 -0.86 -0.06 0.00 -1.55 0.00 0.00 70.33 68.03 1ryu n THR 40 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1ryu s ASN 41 N -1.00 6.65 0.00 1.09 4.22 -1.26 -4.67 114.94 119.97 1ryu s ASN 41 Ca 0.00 0.77 0.00 0.00 -2.14 0.00 0.00 52.86 51.49 1ryu s ASN 41 Cb 0.00 -2.26 0.00 0.00 1.28 0.00 0.00 41.25 40.27 1ryu s ASN 41 CO 0.00 0.06 0.00 0.18 -2.04 0.00 0.00 177.10 175.30 1ryu n LEU 42 N 3.44 0.11 -1.98 3.54 4.32 -1.26 -4.85 117.00 120.33 1ryu n LEU 42 Ca -0.09 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.75 1ryu n LEU 42 Cb 0.52 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.29 1ryu n LEU 42 CO 0.42 -0.25 1.34 -0.81 -1.22 0.00 0.00 177.39 176.86 1ryu n PRO 43 N -2.63 1.82 -4.28 3.23 -0.04 -1.26 -4.91 135.00 126.94 1ryu n PRO 43 Ca 0.00 -1.32 -0.33 0.00 -0.04 0.00 0.00 63.50 61.81 1ryu n PRO 43 Cb 0.20 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 31.89 1ryu n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ryu s ALA 44 N -0.89 3.32 0.17 0.55 0.00 -1.26 -2.94 121.76 120.72 1ryu s ALA 44 Ca 0.38 -0.91 0.10 0.00 0.00 0.00 0.00 51.96 51.52 1ryu s ALA 44 Cb 0.24 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 1ryu s ALA 44 CO -0.06 0.64 -0.14 0.14 0.00 0.00 0.00 175.76 176.34 1ryu s VAL 45 N -1.06 2.93 0.02 0.00 -7.23 -1.24 -4.53 120.40 109.29 1ryu s VAL 45 Ca 0.19 -1.73 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1ryu s VAL 45 Cb -0.12 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 1ryu s VAL 45 CO 0.09 -0.08 0.30 0.61 -0.31 0.00 0.00 175.10 175.71 1ryu n GLY 46 N 0.21 -0.67 3.69 2.32 0.00 -1.22 -3.92 105.19 105.60 1ryu n GLY 46 Ca -0.12 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1ryu n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ryu s ARG 47 N -4.04 4.13 0.58 1.61 0.52 -1.26 -4.62 118.95 115.87 1ryu s ARG 47 Ca -0.01 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1ryu s ARG 47 Cb 0.01 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.98 1ryu s ARG 47 CO 0.07 0.13 0.00 1.63 0.02 0.00 0.00 175.30 177.15 1ryu n LYS 48 N 4.05 -3.58 0.00 3.54 4.01 -1.25 -4.93 118.16 120.00 1ryu n LYS 48 Ca -0.14 2.85 0.00 0.00 -0.51 0.00 0.00 58.31 60.50 1ryu n LYS 48 Cb 0.52 -3.77 0.00 0.00 -0.51 0.00 0.00 35.03 31.27 1ryu n LYS 48 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1ryu n PRO 49 N -3.34 1.18 0.33 1.97 -0.02 -1.26 -3.61 135.00 130.25 1ryu n PRO 49 Ca -0.04 0.00 0.20 0.00 -2.02 0.00 0.00 63.50 61.64 1ryu n PRO 49 Cb 0.55 0.00 1.10 0.00 -0.02 0.00 0.00 33.50 35.13 1ryu n PRO 49 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1ryu h LEU 50 N 0.00 0.00 -2.74 2.45 -0.00 -1.84 -3.36 115.31 109.82 1ryu h LEU 50 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.37 1ryu h LEU 50 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1ryu h LEU 50 CO 0.00 0.00 -0.94 0.47 -0.00 0.00 0.00 178.44 177.97 1ryu n ASP 51 N -3.13 -2.56 -0.11 0.17 8.00 -1.26 -4.78 116.55 112.88 1ryu n ASP 51 Ca -0.03 -1.09 -0.01 0.00 0.71 0.00 0.00 54.79 54.37 1ryu n ASP 51 Cb 0.15 -2.76 0.24 0.00 -0.02 0.00 0.00 41.12 38.74 1ryu n ASP 51 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1ryu h LEU 52 N -2.00 0.71 -0.16 0.64 5.85 -1.97 0.19 115.31 118.57 1ryu h LEU 52 Ca -0.66 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 57.87 1ryu h LEU 52 Cb 1.38 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1ryu h LEU 52 CO 0.57 0.65 -0.26 0.22 -0.34 0.00 0.00 178.44 179.28 1ryu h TYR 53 N 0.77 0.57 -0.12 1.25 3.20 -1.92 0.55 116.97 121.27 1ryu h TYR 53 Ca 0.18 -0.20 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 1ryu h TYR 53 Cb 0.18 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1ryu h TYR 53 CO 0.01 0.89 -0.44 0.00 -1.64 0.00 0.00 178.16 176.98 1ryu h ARG 54 N 0.09 0.29 -0.22 1.82 3.08 -1.89 -1.35 114.38 116.19 1ryu h ARG 54 Ca 0.01 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1ryu h ARG 54 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1ryu h ARG 54 CO 0.06 0.68 -0.14 1.25 -1.07 0.00 0.00 179.97 180.75 1ryu h LEU 55 N 0.24 0.51 -0.39 3.04 7.12 -0.57 -0.38 115.31 124.87 1ryu h LEU 55 Ca 0.02 -0.44 -0.02 0.00 0.13 0.00 0.00 57.88 57.57 1ryu h LEU 55 Cb 0.88 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.85 1ryu h LEU 55 CO 0.07 0.83 0.17 0.22 -0.13 0.00 0.00 178.44 179.60 1ryu h TYR 56 N 0.18 0.58 -0.33 1.25 3.20 -0.71 0.43 116.97 121.58 1ryu h TYR 56 Ca 0.04 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 1ryu h TYR 56 Cb 0.66 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1ryu h TYR 56 CO 0.07 0.51 -0.33 -0.39 -1.64 0.00 0.00 178.16 176.38 1ryu h VAL 57 N 0.49 1.28 -0.38 1.81 -1.51 -1.25 -0.37 116.25 116.32 1ryu h VAL 57 Ca 0.13 -1.48 -0.13 0.00 -1.23 0.00 0.00 66.70 64.00 1ryu h VAL 57 Cb 0.16 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 1ryu h VAL 57 CO -0.01 0.48 -0.25 0.77 -1.23 0.00 0.00 177.57 177.32 1ryu h SER 58 N 0.60 0.87 0.21 4.19 4.64 -0.77 -1.65 113.55 121.64 1ryu h SER 58 Ca 0.06 -0.43 -0.09 0.00 -0.47 0.00 0.00 61.79 60.86 1ryu h SER 58 Cb 0.85 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1ryu h SER 58 CO 0.07 1.12 -0.35 1.62 -0.87 0.00 0.00 176.83 178.42 1ryu h VAL 59 N 0.64 1.28 0.51 0.95 3.04 -0.06 0.36 116.25 122.97 1ryu h VAL 59 Ca 0.07 -1.37 -0.03 0.00 -1.01 0.00 0.00 66.70 64.37 1ryu h VAL 59 Cb 0.82 1.60 0.01 0.00 -2.01 0.00 0.00 31.29 31.71 1ryu h VAL 59 CO 0.07 0.41 -0.25 0.11 -1.01 0.00 0.00 177.57 176.90 1ryu h LYS 60 N 0.19 -0.66 -0.12 4.17 1.57 -0.80 -2.08 116.57 118.84 1ryu h LYS 60 Ca 0.02 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1ryu h LYS 60 Cb 0.72 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1ryu h LYS 60 CO 0.05 -0.40 -0.18 0.93 -0.57 0.00 0.00 179.45 179.28 1ryu h GLU 61 N -0.78 0.19 -0.82 3.15 5.08 -1.14 -2.54 114.58 117.72 1ryu h GLU 61 Ca -0.07 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1ryu h GLU 61 Cb 0.57 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1ryu h GLU 61 CO 0.12 0.37 0.54 0.82 -1.00 0.00 0.00 179.01 179.86 1ryu h ILE 62 N 0.18 1.02 0.00 3.13 2.04 0.01 -3.46 117.51 120.43 1ryu h ILE 62 Ca 0.03 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1ryu h ILE 62 Cb 0.43 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1ryu h ILE 62 CO 0.03 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.95 1ryu n GLY 63 N -1.42 4.70 0.00 5.37 0.00 -0.82 -4.92 105.19 108.09 1ryu n GLY 63 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1ryu n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ryu n GLY 64 N 0.00 -0.49 0.12 -0.02 0.00 -0.96 -4.87 105.19 98.97 1ryu n GLY 64 Ca 0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 1ryu n GLY 64 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1ryu h LEU 65 N 0.00 0.36 -1.33 0.99 -0.00 -1.99 -3.13 115.31 110.22 1ryu h LEU 65 Ca 0.00 -0.67 -0.07 0.00 -0.00 0.00 0.00 57.88 57.14 1ryu h LEU 65 Cb 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 1ryu h LEU 65 CO 0.00 0.97 -0.34 0.71 -0.00 0.00 0.00 178.44 179.79 1ryu h THR 66 N -0.23 1.23 -0.67 0.15 1.35 -1.99 -2.63 112.91 110.11 1ryu h THR 66 Ca -0.02 -1.16 -0.04 0.00 -0.55 0.00 0.00 66.41 64.64 1ryu h THR 66 Cb 0.97 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 1ryu h THR 66 CO 0.06 0.33 0.26 1.56 -0.25 0.00 0.00 175.52 177.48 1ryu h GLN 67 N 0.00 1.00 -0.75 4.72 1.08 -1.89 -2.21 115.11 117.06 1ryu h GLN 67 Ca -0.00 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 1ryu h GLN 67 Cb 0.60 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1ryu h GLN 67 CO 0.04 0.82 0.36 0.28 -0.95 0.00 0.00 178.83 179.38 1ryu h VAL 68 N 0.98 1.24 0.00 -0.54 2.07 -1.41 0.29 116.25 118.87 1ryu h VAL 68 Ca 0.23 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1ryu h VAL 68 Cb 0.21 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1ryu h VAL 68 CO -0.02 0.28 -0.21 -1.13 0.02 0.00 0.00 177.57 176.51 1ryu h ASN 69 N 1.06 0.00 0.00 0.57 -0.73 -1.36 -3.35 115.58 111.77 1ryu h ASN 69 Ca 0.26 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1ryu h ASN 69 Cb 0.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1ryu h ASN 69 CO -0.03 0.21 0.00 2.29 -0.37 0.00 0.00 177.43 179.53 1ryu n LYS 70 N -3.65 0.78 -0.67 6.67 2.85 -1.11 -4.80 118.16 118.23 1ryu n LYS 70 Ca -0.01 -0.11 0.09 0.00 -1.05 0.00 0.00 58.31 57.22 1ryu n LYS 70 Cb 0.34 -0.49 0.36 0.00 -0.65 0.00 0.00 35.03 34.59 1ryu n LYS 70 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ryu n ASN 71 N -0.14 4.95 -1.92 -5.58 5.03 0.10 -4.91 115.26 112.78 1ryu n ASN 71 Ca 0.00 -2.61 -0.17 0.00 0.87 0.00 0.00 54.58 52.67 1ryu n ASN 71 Cb 0.10 -0.60 -0.04 0.00 -1.02 0.00 0.00 39.78 38.21 1ryu n ASN 71 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1ryu n LYS 72 N 0.87 -1.62 0.18 3.52 4.81 -1.26 -4.81 118.16 119.85 1ryu n LYS 72 Ca 0.26 0.94 0.05 0.00 -0.87 0.00 0.00 58.31 58.69 1ryu n LYS 72 Cb 0.97 -5.41 0.33 0.00 0.02 0.00 0.00 35.03 30.93 1ryu n LYS 72 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1ryu h LYS 73 N 0.00 0.00 -0.96 1.64 1.79 -1.79 -2.99 116.57 114.27 1ryu h LYS 73 Ca -0.38 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.30 1ryu h LYS 73 Cb 1.21 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.75 1ryu h LYS 73 CO 0.51 0.40 0.53 0.11 -1.08 0.00 0.00 179.45 179.91 1ryu h TRP 74 N 0.00 0.90 -0.12 -1.35 5.08 -1.88 0.94 115.95 119.52 1ryu h TRP 74 Ca -0.00 0.04 -0.10 0.00 1.08 0.00 0.00 58.89 59.90 1ryu h TRP 74 Cb 0.88 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 26.78 1ryu h TRP 74 CO 0.00 0.09 -0.36 -0.09 -1.28 0.00 0.00 178.44 176.79 1ryu h ARG 75 N 0.58 0.26 -0.09 0.12 2.43 -1.82 -0.50 114.38 115.36 1ryu h ARG 75 Ca 0.59 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.57 1ryu h ARG 75 Cb 1.04 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1ryu h ARG 75 CO -0.46 0.59 -0.25 1.49 -1.51 0.00 0.00 179.97 179.83 1ryu h GLU 76 N 0.22 0.33 -0.11 0.20 4.81 0.63 -0.23 114.58 120.44 1ryu h GLU 76 Ca 0.03 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 58.92 1ryu h GLU 76 Cb 0.75 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1ryu h GLU 76 CO 0.06 0.85 -0.36 1.37 -0.73 0.00 0.00 179.01 180.20 1ryu h LEU 77 N -0.14 0.23 -0.45 1.64 -0.00 -0.45 0.77 115.31 116.92 1ryu h LEU 77 Ca -0.01 -0.09 -0.08 0.00 -0.00 0.00 0.00 57.88 57.71 1ryu h LEU 77 Cb 0.87 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.45 1ryu h LEU 77 CO 0.05 0.58 -0.02 0.00 -0.00 0.00 0.00 178.44 179.05 1ryu h ALA 78 N 1.44 0.61 -0.07 0.17 0.00 -1.05 -2.00 119.26 118.35 1ryu h ALA 78 Ca 0.02 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1ryu h ALA 78 Cb 0.74 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ryu h ALA 78 CO 0.06 0.42 -0.65 1.15 0.00 0.00 0.00 179.25 180.23 1ryu h THR 79 N 0.65 1.39 -0.49 0.00 2.02 -0.62 -1.28 112.91 114.57 1ryu h THR 79 Ca 0.12 -2.06 -0.03 0.00 0.77 0.00 0.00 66.41 65.21 1ryu h THR 79 Cb 0.53 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 1ryu h THR 79 CO 0.03 0.61 0.18 -1.13 0.37 0.00 0.00 175.52 175.58 1ryu h ASN 80 N 0.20 0.70 -0.32 4.18 -1.24 0.78 -2.16 115.58 117.72 1ryu h ASN 80 Ca -0.01 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.81 1ryu h ASN 80 Cb 1.18 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.04 1ryu h ASN 80 CO 0.10 0.70 0.00 0.18 -1.29 0.00 0.00 177.43 177.12 1ryu n LEU 81 N -4.54 3.19 -3.55 0.34 4.77 -0.77 -4.94 117.00 111.50 1ryu n LEU 81 Ca 0.02 -1.61 -0.28 0.00 -0.03 0.00 0.00 56.01 54.10 1ryu n LEU 81 Cb 0.17 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1ryu n LEU 81 CO 0.38 0.46 -0.19 0.59 -1.33 0.00 0.00 177.39 177.30 1ryu n ASN 82 N 0.39 -5.57 -0.02 -1.43 3.02 -0.81 -4.78 115.26 106.06 1ryu n ASN 82 Ca 0.14 -0.45 0.04 0.00 -0.03 0.00 0.00 54.58 54.28 1ryu n ASN 82 Cb 0.66 -2.20 -0.09 0.00 -0.61 0.00 0.00 39.78 37.54 1ryu n ASN 82 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1ryu n VAL 83 N -1.34 0.16 0.00 2.41 0.24 -0.49 -4.49 118.33 114.82 1ryu n VAL 83 Ca -0.17 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1ryu n VAL 83 Cb 0.66 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 1ryu n VAL 83 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ryu n GLY 84 N 1.93 2.71 2.60 7.63 0.00 -1.26 -4.83 105.19 113.97 1ryu n GLY 84 Ca -0.06 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 1ryu n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ryu n THR 85 N 0.00 0.00 -1.21 2.61 -2.24 -1.26 -4.85 114.28 107.33 1ryu n THR 85 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1ryu n THR 85 Cb 0.00 -1.94 -0.02 0.00 -2.10 0.00 0.00 70.33 66.28 1ryu n THR 85 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ryu n SER 86 N -1.29 6.46 0.00 3.42 7.64 -1.26 -4.90 113.62 123.68 1ryu n SER 86 Ca -0.20 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.55 1ryu n SER 86 Cb 0.67 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1ryu n SER 86 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ryu n SER 87 N 0.67 0.00 0.30 6.43 7.64 -1.26 -4.01 113.62 123.39 1ryu n SER 87 Ca 0.41 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.46 1ryu n SER 87 Cb 0.58 0.00 0.98 0.00 -1.01 0.00 0.00 64.21 64.76 1ryu n SER 87 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ryu h SER 88 N 0.00 0.00 -0.51 6.43 0.87 -2.00 -1.06 113.55 117.28 1ryu h SER 88 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1ryu h SER 88 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1ryu h SER 88 CO 0.00 0.00 0.30 0.00 -0.53 0.00 0.00 176.83 176.60 1ryu h ALA 89 N 1.97 1.55 -0.44 6.23 0.00 -1.92 -1.43 119.26 125.22 1ryu h ALA 89 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1ryu h ALA 89 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ryu h ALA 89 CO -0.00 0.39 0.10 0.00 0.00 0.00 0.00 179.25 179.73 1ryu h ALA 90 N 1.61 0.58 -0.12 0.00 0.00 -1.47 0.16 119.26 120.03 1ryu h ALA 90 Ca 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ryu h ALA 90 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ryu h ALA 90 CO -0.03 0.28 0.06 0.77 0.00 0.00 0.00 179.25 180.32 1ryu h SER 91 N 0.59 0.16 -0.64 0.00 0.02 -1.48 0.43 113.55 112.63 1ryu h SER 91 Ca 0.14 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1ryu h SER 91 Cb 0.34 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1ryu h SER 91 CO 0.00 0.24 0.31 0.28 -1.14 0.00 0.00 176.83 176.52 1ryu h SER 92 N 0.06 0.83 1.12 3.07 0.02 -1.19 -1.23 113.55 116.24 1ryu h SER 92 Ca 0.04 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1ryu h SER 92 Cb 0.12 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1ryu h SER 92 CO -0.00 0.73 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.27 1ryu h LEU 93 N 0.88 0.00 -0.10 5.07 -0.00 -0.48 -0.51 115.31 120.17 1ryu h LEU 93 Ca 0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.04 1ryu h LEU 93 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.78 1ryu h LEU 93 CO -0.03 0.07 -0.15 0.50 -0.00 0.00 0.00 178.44 178.83 1ryu h LYS 94 N 0.00 0.28 -0.19 1.13 3.11 0.84 0.22 116.57 121.96 1ryu h LYS 94 Ca -0.00 -0.17 -0.10 0.00 -2.81 0.00 0.00 60.65 57.57 1ryu h LYS 94 Cb 0.66 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 1ryu h LYS 94 CO 0.01 0.74 -0.33 -0.22 -2.81 0.00 0.00 179.45 176.84 1ryu h LYS 95 N -0.15 0.39 -0.15 1.90 1.63 -1.01 -0.99 116.57 118.19 1ryu h LYS 95 Ca 0.01 -0.16 -0.15 0.00 -0.85 0.00 0.00 60.65 59.50 1ryu h LYS 95 Cb 0.72 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 1ryu h LYS 95 CO 0.04 0.68 -0.48 1.96 -3.45 0.00 0.00 179.45 178.19 1ryu h GLN 96 N 0.34 0.59 -0.70 1.90 1.08 -1.06 0.06 115.11 117.31 1ryu h GLN 96 Ca 0.04 -0.43 -0.01 0.00 -1.45 0.00 0.00 58.65 56.80 1ryu h GLN 96 Cb 0.75 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.22 1ryu h GLN 96 CO 0.06 1.05 0.41 -0.92 -0.95 0.00 0.00 178.83 178.48 1ryu h TYR 97 N 0.23 0.94 -0.00 2.96 3.20 -0.40 0.31 116.97 124.22 1ryu h TYR 97 Ca -0.02 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1ryu h TYR 97 Cb 1.11 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 1ryu h TYR 97 CO 0.10 0.65 -0.01 -0.84 -1.64 0.00 0.00 178.16 176.42 1ryu h ILE 98 N 0.96 1.41 0.00 1.81 3.07 -1.19 0.22 117.51 123.79 1ryu h ILE 98 Ca 0.25 -1.22 0.00 0.00 1.55 0.00 0.00 64.86 65.44 1ryu h ILE 98 Cb -0.00 2.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 1ryu h ILE 98 CO -0.04 0.32 0.05 1.56 -1.05 0.00 0.00 178.15 178.98 1ryu h GLN 99 N -0.50 0.00 0.06 0.16 4.20 -0.73 0.82 115.11 119.12 1ryu h GLN 99 Ca 0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 1ryu h GLN 99 Cb 0.52 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1ryu h GLN 99 CO 0.00 0.00 -2.19 0.00 -0.67 0.00 0.00 178.83 175.97 1ryu n LEU 101 N -3.30 2.16 0.16 0.00 7.99 0.76 -4.58 117.00 120.20 1ryu n LEU 101 Ca -0.36 -2.74 -0.13 0.00 -0.01 0.00 0.00 56.01 52.77 1ryu n LEU 101 Cb 1.03 -0.31 -0.07 0.00 -0.11 0.00 0.00 43.42 43.96 1ryu n LEU 101 CO 0.36 0.64 0.48 0.22 -1.51 0.00 0.00 177.39 177.58 1ryu h TYR 102 N 0.00 -0.41 -0.00 -1.77 5.03 0.47 0.14 116.97 120.42 1ryu h TYR 102 Ca 0.00 -0.01 -0.19 0.00 2.58 0.00 0.00 58.73 61.11 1ryu h TYR 102 Cb 0.90 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 1ryu h TYR 102 CO 0.00 -0.07 -0.85 0.00 -1.32 0.00 0.00 178.16 175.92 1ryu h ALA 103 N -0.41 0.56 -0.09 1.82 0.00 -1.86 -3.05 119.26 116.23 1ryu h ALA 103 Ca -0.05 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 1ryu h ALA 103 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ryu h ALA 103 CO 0.07 0.91 -0.14 0.74 0.00 0.00 0.00 179.25 180.84 1ryu h PHE 104 N 0.10 0.14 -0.79 0.00 -1.00 -1.80 -0.47 116.94 113.12 1ryu h PHE 104 Ca -0.04 -0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.81 1ryu h PHE 104 Cb 1.46 -0.04 -0.07 0.00 3.61 0.00 0.00 35.95 40.91 1ryu h PHE 104 CO 0.03 0.28 0.45 1.49 -1.61 0.00 0.00 178.31 178.94 1ryu h GLU 105 N 0.13 0.76 -0.05 1.51 4.57 -0.60 1.22 114.58 122.11 1ryu h GLU 105 Ca 0.03 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 57.96 1ryu h GLU 105 Cb 0.33 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1ryu h GLU 105 CO 0.02 0.50 -0.81 0.00 -1.18 0.00 0.00 179.01 177.54 1ryu h LYS 107 N 0.27 0.00 0.04 0.00 3.64 0.56 0.24 116.57 121.32 1ryu h LYS 107 Ca -0.05 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.02 1ryu h LYS 107 Cb 1.41 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.19 1ryu h LYS 107 CO 0.14 0.24 -1.81 -0.89 -2.27 0.00 0.00 179.45 174.86 1ryu n ILE 108 N -3.38 1.66 -0.10 2.00 2.08 0.40 -4.28 119.36 117.74 1ryu n ILE 108 Ca 0.00 -0.76 -0.20 0.00 0.56 0.00 0.00 62.75 62.36 1ryu n ILE 108 Cb 0.45 -1.24 -0.12 0.00 -0.75 0.00 0.00 39.64 37.98 1ryu n ILE 108 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1ryu n GLU 109 N -3.17 0.67 -4.45 0.38 0.28 -0.86 -4.87 120.64 108.62 1ryu n GLU 109 Ca -0.22 0.20 -0.23 0.00 -0.16 0.00 0.00 57.16 56.75 1ryu n GLU 109 Cb 1.05 -1.57 -0.10 0.00 1.43 0.00 0.00 31.44 32.25 1ryu n GLU 109 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1ryu s ARG 110 N -2.53 1.60 0.00 3.44 3.52 0.84 -4.67 118.95 121.15 1ryu s ARG 110 Ca -0.32 -1.78 0.00 0.00 -0.13 0.00 0.00 55.73 53.50 1ryu s ARG 110 Cb 0.09 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 32.04 1ryu s ARG 110 CO 0.64 0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.70 1ryu n GLY 111 N -0.60 0.03 0.00 8.12 0.00 -1.26 -3.96 105.19 107.52 1ryu n GLY 111 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1ryu n GLY 111 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ryu n GLU 112 N 0.56 2.51 -3.89 1.61 -0.00 -1.26 -4.98 120.64 115.18 1ryu n GLU 112 Ca 0.00 -0.03 -0.35 0.00 -0.00 0.00 0.00 57.16 56.78 1ryu n GLU 112 Cb 0.44 -1.09 -0.05 0.00 -0.00 0.00 0.00 31.44 30.73 1ryu n GLU 112 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ryu s ASP 113 N -2.40 6.38 0.04 -1.84 -1.08 -1.26 -5.03 116.67 111.48 1ryu s ASP 113 Ca 0.02 0.41 -0.28 0.00 -0.52 0.00 0.00 52.55 52.18 1ryu s ASP 113 Cb 0.08 -2.04 -0.15 0.00 -1.46 0.00 0.00 42.92 39.36 1ryu s ASP 113 CO 0.46 0.34 0.70 -2.65 0.52 0.00 0.00 175.17 174.53 1ryu n PRO 114 N 1.47 0.00 -1.63 4.34 -0.02 -1.26 -4.74 135.00 133.16 1ryu n PRO 114 Ca -0.15 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 60.86 1ryu n PRO 114 Cb 0.54 -1.03 -0.04 0.00 -0.02 0.00 0.00 33.50 32.94 1ryu n PRO 114 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ryu n PRO 115 N 1.03 2.13 -0.30 0.52 -0.02 -1.26 -4.85 135.00 132.25 1ryu n PRO 115 Ca 0.15 0.72 0.02 0.00 -2.02 0.00 0.00 63.50 62.38 1ryu n PRO 115 Cb 0.10 -2.84 0.14 0.00 -0.02 0.00 0.00 33.50 30.88 1ryu n PRO 115 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ryu n PRO 116 N 7.55 2.31 -1.65 0.52 -0.04 -1.26 -4.84 135.00 137.59 1ryu n PRO 116 Ca 0.26 -1.08 -0.19 0.00 -0.04 0.00 0.00 63.50 62.45 1ryu n PRO 116 Cb 0.35 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 31.99 1ryu n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ryu n ASP 117 N 0.22 -5.37 -4.77 3.54 2.03 -1.26 -4.95 116.55 105.99 1ryu n ASP 117 Ca 0.10 0.42 -0.35 0.00 0.52 0.00 0.00 54.79 55.48 1ryu n ASP 117 Cb 0.56 -4.56 0.01 0.00 -0.72 0.00 0.00 41.12 36.41 1ryu n ASP 117 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ryu s ILE 118 N -2.75 3.20 0.11 5.18 2.07 -1.26 -4.84 121.20 122.91 1ryu s ILE 118 Ca 0.00 0.71 0.00 0.00 -1.41 0.00 0.00 60.65 59.95 1ryu s ILE 118 Cb 0.00 -3.26 0.00 0.00 0.13 0.00 0.00 42.46 39.33 1ryu s ILE 118 CO 0.00 -0.20 0.00 0.49 -1.91 0.00 0.00 174.94 173.32 1ryu n PHE 119 N -1.50 -2.52 -1.94 3.50 3.72 -1.26 -5.19 117.46 112.28 1ryu n PHE 119 Ca 0.11 0.57 0.00 0.00 -0.05 0.00 0.00 57.45 58.08 1ryu n PHE 119 Cb 0.51 -0.86 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 1ryu n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71