#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1df0 n GLU 10 N 0.00 -0.65 -4.58 -3.83 0.28 -1.26 -5.11 120.64 105.50 1df0 n GLU 10 Ca 0.00 -0.65 -0.27 0.00 -0.16 0.00 0.00 57.16 56.09 1df0 n GLU 10 Cb 0.00 -0.46 -0.09 0.00 1.43 0.00 0.00 31.44 32.32 1df0 n GLU 10 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1df0 s SER 11 N -2.55 3.20 0.56 -1.84 1.04 -1.26 -4.99 113.70 107.86 1df0 s SER 11 Ca 0.24 -1.53 0.26 0.00 0.48 0.00 0.00 55.95 55.40 1df0 s SER 11 Cb -0.01 0.18 1.51 0.00 0.10 0.00 0.00 66.02 67.80 1df0 s SER 11 CO 0.17 -0.73 2.05 -0.08 0.98 0.00 0.00 173.24 175.63 1df0 h GLU 12 N 1.77 0.00 0.11 4.02 4.57 -1.99 0.82 114.58 123.88 1df0 h GLU 12 Ca -0.41 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.49 1df0 h GLU 12 Cb 1.27 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1df0 h GLU 12 CO 0.69 0.00 -1.34 1.49 -1.18 0.00 0.00 179.01 178.68 1df0 h GLU 13 N 0.00 0.23 0.21 1.92 4.81 -1.99 -3.20 114.58 116.56 1df0 h GLU 13 Ca 0.14 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1df0 h GLU 13 Cb 0.68 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1df0 h GLU 13 CO -0.00 1.14 -0.10 0.93 -0.73 0.00 0.00 179.01 180.25 1df0 h GLU 14 N 0.06 -0.27 -0.86 1.92 5.08 -1.50 -2.53 114.58 116.48 1df0 h GLU 14 Ca -0.17 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1df0 h GLU 14 Cb 1.97 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 31.22 1df0 h GLU 14 CO 0.18 0.13 0.56 0.07 -1.00 0.00 0.00 179.01 178.94 1df0 h ARG 15 N -0.80 0.79 -0.54 2.33 -0.00 -1.08 1.92 114.38 117.00 1df0 h ARG 15 Ca -0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 1df0 h ARG 15 Cb 0.51 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.97 30.28 1df0 h ARG 15 CO 0.05 0.52 0.28 0.37 -0.00 0.00 0.00 179.97 181.19 1df0 h GLN 16 N 0.81 0.75 -0.04 0.08 5.75 -1.56 0.20 115.11 121.10 1df0 h GLN 16 Ca 0.40 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.75 1df0 h GLN 16 Cb 0.45 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1df0 h GLN 16 CO -0.17 0.56 -0.25 0.74 -2.65 0.00 0.00 178.83 177.06 1df0 h PHE 17 N 0.75 0.34 -0.97 3.99 0.05 0.12 -2.94 116.94 118.28 1df0 h PHE 17 Ca 0.19 -0.15 0.22 0.00 3.82 0.00 0.00 57.97 62.04 1df0 h PHE 17 Cb 0.04 -0.05 -0.08 0.00 2.00 0.00 0.00 35.95 37.86 1df0 h PHE 17 CO 0.00 0.89 0.62 -0.09 -0.18 0.00 0.00 178.31 179.56 1df0 h ARG 18 N -0.31 0.49 0.28 1.51 2.43 0.32 -0.19 114.38 118.91 1df0 h ARG 18 Ca -0.02 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1df0 h ARG 18 Cb 0.93 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 1df0 h ARG 18 CO 0.05 0.32 -0.43 -0.22 -1.51 0.00 0.00 179.97 178.18 1df0 h LYS 19 N 0.50 -0.73 -0.94 0.20 3.64 -0.45 -0.93 116.57 117.86 1df0 h LYS 19 Ca 0.53 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 60.19 1df0 h LYS 19 Cb 1.18 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 33.10 1df0 h LYS 19 CO -0.26 -0.48 0.63 -0.07 -2.27 0.00 0.00 179.45 177.00 1df0 h LEU 20 N -0.75 0.32 0.55 5.20 3.38 -0.98 -2.04 115.31 120.98 1df0 h LEU 20 Ca -0.03 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1df0 h LEU 20 Cb 0.69 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1df0 h LEU 20 CO -0.14 0.11 -0.26 -0.26 0.09 0.00 0.00 178.44 177.98 1df0 h PHE 21 N 0.31 -0.68 -0.47 1.13 -1.00 -0.66 -1.99 116.94 113.57 1df0 h PHE 21 Ca 0.49 -0.02 0.08 0.00 2.81 0.00 0.00 57.97 61.34 1df0 h PHE 21 Cb 1.39 0.23 -0.10 0.00 3.61 0.00 0.00 35.95 41.08 1df0 h PHE 21 CO -0.00 -0.35 -0.39 0.28 -1.61 0.00 0.00 178.31 176.24 1df0 h VAL 22 N -0.99 0.14 -0.84 -0.55 2.07 -0.53 0.47 116.25 116.02 1df0 h VAL 22 Ca -0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1df0 h VAL 22 Cb 0.64 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1df0 h VAL 22 CO 0.12 0.00 0.55 -0.61 0.02 0.00 0.00 177.57 177.65 1df0 h GLN 23 N -0.26 0.71 0.14 1.57 4.15 -1.45 0.22 115.11 120.19 1df0 h GLN 23 Ca 0.17 -0.04 -0.28 0.00 0.77 0.00 0.00 58.65 59.27 1df0 h GLN 23 Cb 0.56 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.10 1df0 h GLN 23 CO -0.61 0.47 -1.29 -0.07 -1.93 0.00 0.00 178.83 175.41 1df0 h LEU 24 N 0.73 0.45 -2.15 -2.39 3.38 0.20 -3.41 115.31 112.12 1df0 h LEU 24 Ca 0.40 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1df0 h LEU 24 Cb 0.55 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 1df0 h LEU 24 CO -0.17 1.39 -0.58 0.00 0.09 0.00 0.00 178.44 179.18 1df0 n ALA 25 N -2.56 2.17 0.00 1.53 0.00 0.13 -5.06 120.51 116.73 1df0 n ALA 25 Ca -0.10 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1df0 n ALA 25 Cb 1.03 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1df0 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1df0 n GLY 26 N 0.13 2.37 0.00 0.00 0.00 0.76 0.72 105.19 109.18 1df0 n GLY 26 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1df0 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1df0 n ASP 27 N 0.67 0.00 0.06 1.61 10.43 -1.26 -2.53 116.55 125.53 1df0 n ASP 27 Ca 0.00 -0.30 -0.13 0.00 2.57 0.00 0.00 54.79 56.93 1df0 n ASP 27 Cb 0.00 -0.12 -0.03 0.00 1.84 0.00 0.00 41.12 42.81 1df0 n ASP 27 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1df0 h ASP 28 N 0.00 0.52 -6.82 -2.24 3.45 -0.10 -3.47 116.42 107.75 1df0 h ASP 28 Ca 0.00 -0.40 -0.57 0.00 0.43 0.00 0.00 57.03 56.49 1df0 h ASP 28 Cb 0.06 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 1df0 h ASP 28 CO 0.00 1.19 -1.00 0.23 -1.57 0.00 0.00 179.24 178.09 1df0 n MET 29 N -3.77 -0.48 -3.94 3.56 2.81 -1.05 -4.95 117.12 109.30 1df0 n MET 29 Ca -0.06 0.14 -0.08 0.00 -1.81 0.00 0.00 57.70 55.89 1df0 n MET 29 Cb 0.80 -2.87 -0.08 0.00 -0.71 0.00 0.00 33.22 30.36 1df0 n MET 29 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1df0 s GLU 30 N -7.18 0.72 0.04 0.03 2.02 -1.26 -2.75 118.70 110.32 1df0 s GLU 30 Ca 0.46 -0.98 0.02 0.00 0.02 0.00 0.00 54.97 54.50 1df0 s GLU 30 Cb -0.24 0.28 -0.02 0.00 0.10 0.00 0.00 34.13 34.25 1df0 s GLU 30 CO 0.95 -0.20 -0.08 0.08 0.02 0.00 0.00 175.26 176.04 1df0 s VAL 31 N -3.58 0.58 0.87 2.63 1.01 0.43 -4.65 120.40 117.68 1df0 s VAL 31 Ca 0.03 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 1df0 s VAL 31 Cb 0.04 -0.63 0.12 0.00 0.00 0.00 0.00 36.38 35.91 1df0 s VAL 31 CO -0.09 -0.34 1.14 -0.55 0.00 0.00 0.00 175.10 175.26 1df0 s SER 32 N -1.50 3.85 0.16 3.32 0.15 -1.26 0.66 113.70 119.08 1df0 s SER 32 Ca -0.09 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1df0 s SER 32 Cb -0.09 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 1df0 s SER 32 CO 0.00 -2.34 1.38 0.00 1.20 0.00 0.00 173.24 173.49 1df0 h ALA 33 N -1.35 0.52 0.00 5.45 0.00 -1.92 -1.59 119.26 120.37 1df0 h ALA 33 Ca -0.49 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 53.60 1df0 h ALA 33 Cb 1.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1df0 h ALA 33 CO 0.63 0.85 -0.62 0.00 0.00 0.00 0.00 179.25 180.10 1df0 h THR 34 N 0.18 1.20 -0.18 0.00 1.03 -1.93 -1.77 112.91 111.42 1df0 h THR 34 Ca -0.05 -2.33 -0.20 0.00 -0.01 0.00 0.00 66.41 63.83 1df0 h THR 34 Cb 1.45 2.35 0.01 0.00 -1.07 0.00 0.00 68.15 70.89 1df0 h THR 34 CO 0.14 0.61 -0.65 -0.33 -0.01 0.00 0.00 175.52 175.27 1df0 h GLU 35 N 0.00 0.76 -0.33 0.00 5.08 -1.92 -2.56 114.58 115.62 1df0 h GLU 35 Ca -0.01 -0.58 0.04 0.00 -1.00 0.00 0.00 59.36 57.81 1df0 h GLU 35 Cb 1.30 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1df0 h GLU 35 CO 0.08 1.19 0.11 1.25 -1.00 0.00 0.00 179.01 180.65 1df0 h LEU 36 N 0.49 0.12 -0.07 1.33 5.85 -1.18 -2.38 115.31 119.47 1df0 h LEU 36 Ca -0.03 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1df0 h LEU 36 Cb 1.28 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 1df0 h LEU 36 CO 0.14 0.10 -0.23 -0.03 -0.34 0.00 0.00 178.44 178.08 1df0 h MET 37 N 0.25 -0.32 -0.92 1.25 4.05 -1.22 -2.09 114.93 115.94 1df0 h MET 37 Ca 0.15 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.68 1df0 h MET 37 Cb 0.12 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 30.92 1df0 h MET 37 CO -0.15 -0.21 0.56 -0.91 0.23 0.00 0.00 176.91 176.43 1df0 h ASN 38 N -0.33 0.84 0.74 1.39 2.35 -1.14 -1.52 115.58 117.91 1df0 h ASN 38 Ca 0.08 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1df0 h ASN 38 Cb 0.45 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.69 1df0 h ASN 38 CO -0.26 0.49 -0.36 0.40 -1.65 0.00 0.00 177.43 176.05 1df0 h ILE 39 N 0.95 0.00 -0.69 2.81 2.04 -0.92 -3.11 117.51 118.59 1df0 h ILE 39 Ca 0.43 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.34 1df0 h ILE 39 Cb 0.34 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1df0 h ILE 39 CO -0.23 0.00 0.46 -0.07 0.00 0.00 0.00 178.15 178.30 1df0 h LEU 40 N -0.99 0.67 0.00 1.44 3.38 -1.31 -1.75 115.31 116.75 1df0 h LEU 40 Ca -0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1df0 h LEU 40 Cb 0.76 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1df0 h LEU 40 CO 0.16 0.45 0.00 0.59 0.09 0.00 0.00 178.44 179.73 1df0 n ASN 41 N -4.47 0.00 -0.18 -0.43 3.02 -0.58 -0.80 115.26 111.82 1df0 n ASN 41 Ca 0.09 -1.43 0.08 0.00 -0.03 0.00 0.00 54.58 53.30 1df0 n ASN 41 Cb 0.18 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 1df0 n ASN 41 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1df0 n LYS 42 N -0.71 1.52 -0.04 3.52 5.02 -0.66 -4.30 118.16 122.52 1df0 n LYS 42 Ca 0.09 -0.38 -0.07 0.00 -2.02 0.00 0.00 58.31 55.92 1df0 n LYS 42 Cb 0.04 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1df0 n LYS 42 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1df0 n VAL 43 N -0.81 0.44 0.08 -0.18 0.31 -0.40 -4.84 118.33 112.93 1df0 n VAL 43 Ca 0.05 -0.13 -0.22 0.00 -0.01 0.00 0.00 64.34 64.02 1df0 n VAL 43 Cb 0.31 -1.31 -0.15 0.00 -0.91 0.00 0.00 33.84 31.78 1df0 n VAL 43 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1df0 h VAL 44 N -0.19 1.24 -3.16 2.52 -1.51 -1.23 -3.42 116.25 110.50 1df0 h VAL 44 Ca -0.19 -2.56 -0.74 0.00 -1.23 0.00 0.00 66.70 61.98 1df0 h VAL 44 Cb 1.21 2.98 -0.22 0.00 -2.13 0.00 0.00 31.29 33.13 1df0 h VAL 44 CO -0.09 0.77 -0.18 0.28 -1.23 0.00 0.00 177.57 177.12 1df0 s THR 45 N -2.52 5.13 0.00 7.19 -1.32 -1.26 -4.16 115.64 118.70 1df0 s THR 45 Ca -0.14 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 1df0 s THR 45 Cb 0.03 -4.28 0.00 0.00 -1.51 0.00 0.00 72.50 66.75 1df0 s THR 45 CO 0.86 -0.79 0.00 -1.14 -2.21 0.00 0.00 174.62 171.34 1df0 n ARG 46 N 5.49 0.00 -5.17 7.08 3.00 -1.26 -4.60 116.66 121.19 1df0 n ARG 46 Ca -0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.41 1df0 n ARG 46 Cb 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 32.46 32.72 1df0 n ARG 46 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1df0 s HIS 47 N 0.00 2.58 -1.08 -0.14 3.76 -1.26 -5.02 115.29 114.13 1df0 s HIS 47 Ca 0.00 -0.99 0.04 0.00 -0.15 0.00 0.00 55.06 53.96 1df0 s HIS 47 Cb 0.00 -1.72 0.17 0.00 1.11 0.00 0.00 32.58 32.14 1df0 s HIS 47 CO 0.00 -0.38 1.09 -0.35 -0.85 0.00 0.00 174.74 174.25 1df0 n PRO 48 N 3.48 0.01 -0.88 8.40 -0.04 -1.26 -2.40 135.00 142.31 1df0 n PRO 48 Ca -0.19 0.40 -0.07 0.00 -0.04 0.00 0.00 63.50 63.60 1df0 n PRO 48 Cb 0.53 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.71 1df0 n PRO 48 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1df0 n ASP 49 N -1.46 3.40 -3.15 3.54 5.75 -1.26 -4.81 116.55 118.56 1df0 n ASP 49 Ca 0.01 -3.52 0.05 0.00 -0.01 0.00 0.00 54.79 51.31 1df0 n ASP 49 Cb 0.04 -0.69 -0.01 0.00 -1.03 0.00 0.00 41.12 39.44 1df0 n ASP 49 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1df0 s LEU 50 N -3.15 -1.09 -0.38 -2.12 1.98 -1.01 -4.91 118.68 108.00 1df0 s LEU 50 Ca 0.49 0.53 -0.25 0.00 -2.89 0.00 0.00 54.13 52.01 1df0 s LEU 50 Cb 0.42 1.85 0.01 0.00 0.66 0.00 0.00 46.19 49.13 1df0 s LEU 50 CO 0.06 -0.20 0.86 -0.75 -1.89 0.00 0.00 176.35 174.43 1df0 s LYS 51 N 2.89 3.76 -0.27 1.98 2.47 -1.26 -4.64 119.74 124.67 1df0 s LYS 51 Ca 0.14 0.40 -0.26 0.00 -1.56 0.00 0.00 55.97 54.69 1df0 s LYS 51 Cb -0.12 -3.82 0.13 0.00 -1.46 0.00 0.00 37.83 32.56 1df0 s LYS 51 CO -0.19 -0.94 1.06 -0.08 0.16 0.00 0.00 175.35 175.35 1df0 s THR 52 N 3.35 0.00 -1.91 3.43 -1.32 -1.26 -4.50 115.64 113.43 1df0 s THR 52 Ca 0.35 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.12 1df0 s THR 52 Cb -0.12 -1.00 0.59 0.00 -1.51 0.00 0.00 72.50 70.46 1df0 s THR 52 CO 0.19 0.00 1.93 0.47 -2.21 0.00 0.00 174.62 175.00 1df0 n ASP 53 N 1.99 0.57 0.00 8.08 10.43 -1.26 -4.72 116.55 131.64 1df0 n ASP 53 Ca -0.12 -0.87 0.00 0.00 2.57 0.00 0.00 54.79 56.37 1df0 n ASP 53 Cb 0.56 -0.04 0.00 0.00 1.84 0.00 0.00 41.12 43.48 1df0 n ASP 53 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1df0 n GLY 54 N 1.19 -2.57 3.84 0.44 0.00 -1.26 -4.94 105.19 101.89 1df0 n GLY 54 Ca 0.18 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 1df0 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1df0 s PHE 55 N -0.35 3.51 0.42 1.61 0.40 -1.26 -4.58 117.98 117.72 1df0 s PHE 55 Ca 0.00 1.16 0.02 0.00 -0.60 0.00 0.00 56.93 57.51 1df0 s PHE 55 Cb 0.00 -2.46 -0.00 0.00 0.51 0.00 0.00 43.02 41.06 1df0 s PHE 55 CO 0.00 0.27 0.62 0.20 0.70 0.00 0.00 175.22 177.01 1df0 s GLY 56 N -2.00 1.57 0.37 4.36 0.00 -1.26 -4.92 107.32 105.44 1df0 s GLY 56 Ca 0.46 -1.16 0.11 0.00 0.00 0.00 0.00 44.72 44.13 1df0 s GLY 56 CO 0.19 -1.01 1.86 1.19 0.00 0.00 0.00 173.10 175.33 1df0 h ILE 57 N 0.52 0.79 -0.37 0.90 6.09 -1.98 0.12 117.51 123.58 1df0 h ILE 57 Ca -0.46 -0.21 -0.14 0.00 -1.37 0.00 0.00 64.86 62.68 1df0 h ILE 57 Cb 1.25 0.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 1df0 h ILE 57 CO 0.56 0.11 -0.31 -0.78 -3.07 0.00 0.00 178.15 174.67 1df0 h ASP 58 N 0.62 0.85 -0.56 2.19 3.58 -1.98 0.11 116.42 121.23 1df0 h ASP 58 Ca 0.45 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 1df0 h ASP 58 Cb 0.83 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 1df0 h ASP 58 CO -0.20 1.09 0.18 0.74 -2.88 0.00 0.00 179.24 178.16 1df0 h THR 59 N 0.69 1.24 -0.11 2.25 2.02 -1.23 -2.35 112.91 115.41 1df0 h THR 59 Ca 0.08 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1df0 h THR 59 Cb 0.85 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1df0 h THR 59 CO 0.07 0.30 0.01 0.00 0.37 0.00 0.00 175.52 176.27 1df0 h ARG 61 N -0.06 0.62 -0.13 0.00 3.08 -0.69 0.18 114.38 117.38 1df0 h ARG 61 Ca 0.03 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1df0 h ARG 61 Cb 0.33 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1df0 h ARG 61 CO 0.00 0.41 -0.50 1.03 -1.07 0.00 0.00 179.97 179.85 1df0 h SER 62 N 0.64 0.38 -0.15 7.04 0.87 -1.29 -0.02 113.55 121.02 1df0 h SER 62 Ca 0.42 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1df0 h SER 62 Cb 0.70 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1df0 h SER 62 CO -0.17 0.82 0.05 0.24 -0.53 0.00 0.00 176.83 177.23 1df0 h MET 63 N 0.28 0.24 0.05 2.24 2.86 -0.22 -1.51 114.93 118.86 1df0 h MET 63 Ca 0.01 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1df0 h MET 63 Cb 0.98 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1df0 h MET 63 CO 0.08 0.35 -0.03 0.28 1.06 0.00 0.00 176.91 178.66 1df0 h VAL 64 N 0.07 0.98 -0.09 -2.22 2.07 -1.16 -2.91 116.25 113.00 1df0 h VAL 64 Ca 0.05 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1df0 h VAL 64 Cb 0.21 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1df0 h VAL 64 CO -0.00 0.03 -0.36 0.00 0.02 0.00 0.00 177.57 177.26 1df0 h ALA 65 N 0.82 -0.48 0.00 1.67 0.00 -0.81 -0.46 119.26 120.00 1df0 h ALA 65 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1df0 h ALA 65 Cb 0.11 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1df0 h ALA 65 CO 0.01 -0.85 0.00 -0.39 0.00 0.00 0.00 179.25 178.02 1df0 h VAL 66 N -0.46 0.00 -0.01 0.00 -1.51 -1.32 -2.84 116.25 110.11 1df0 h VAL 66 Ca 0.08 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1df0 h VAL 66 Cb 0.58 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1df0 h VAL 66 CO -0.34 0.00 -0.75 0.23 -1.23 0.00 0.00 177.57 175.48 1df0 n MET 67 N -2.95 0.48 -3.65 5.19 2.81 -0.79 -4.88 117.12 113.33 1df0 n MET 67 Ca -0.00 -0.39 -0.39 0.00 -1.81 0.00 0.00 57.70 55.11 1df0 n MET 67 Cb 0.22 -1.49 -0.10 0.00 -0.71 0.00 0.00 33.22 31.14 1df0 n MET 67 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1df0 s ASP 68 N -2.79 5.51 -0.09 7.83 2.15 -0.25 -4.83 116.67 124.20 1df0 s ASP 68 Ca 0.13 -2.13 0.05 0.00 0.43 0.00 0.00 52.55 51.02 1df0 s ASP 68 Cb 0.17 -1.93 0.29 0.00 -0.30 0.00 0.00 42.92 41.15 1df0 s ASP 68 CO 0.74 -0.59 0.95 -1.54 -0.17 0.00 0.00 175.17 174.57 1df0 n SER 69 N 4.54 2.70 -0.00 -0.34 3.41 -1.26 -3.72 113.62 118.95 1df0 n SER 69 Ca -0.03 -2.34 0.03 0.00 -0.26 0.00 0.00 58.87 56.27 1df0 n SER 69 Cb 0.41 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 1df0 n SER 69 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1df0 n ASP 70 N 0.21 1.00 -2.45 4.04 10.43 -1.26 -5.04 116.55 123.49 1df0 n ASP 70 Ca 0.10 -0.49 -0.10 0.00 2.57 0.00 0.00 54.79 56.87 1df0 n ASP 70 Cb 0.60 1.05 0.05 0.00 1.84 0.00 0.00 41.12 44.66 1df0 n ASP 70 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1df0 n THR 71 N -1.24 -4.11 -0.30 -3.53 -1.04 -1.24 -4.96 114.28 97.85 1df0 n THR 71 Ca 0.01 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1df0 n THR 71 Cb 0.09 -4.25 0.00 0.00 -1.82 0.00 0.00 70.33 64.35 1df0 n THR 71 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1df0 n THR 72 N -2.76 0.16 -2.12 12.58 -2.24 -1.26 -5.00 114.28 113.64 1df0 n THR 72 Ca -0.14 -0.43 -0.21 0.00 -2.27 0.00 0.00 64.05 61.01 1df0 n THR 72 Cb 0.59 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.94 1df0 n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1df0 n GLY 73 N -0.08 0.36 3.17 3.38 0.00 -1.26 -4.97 105.19 105.79 1df0 n GLY 73 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1df0 n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1df0 s LYS 74 N -4.60 2.00 -0.22 1.61 -0.14 -1.26 -4.31 119.74 112.81 1df0 s LYS 74 Ca 0.00 -0.69 -0.17 0.00 -1.36 0.00 0.00 55.97 53.75 1df0 s LYS 74 Cb 0.00 -1.72 -0.03 0.00 -1.68 0.00 0.00 37.83 34.40 1df0 s LYS 74 CO 0.00 0.28 0.45 -1.17 -0.76 0.00 0.00 175.35 174.15 1df0 s LEU 75 N -0.01 4.12 0.46 3.17 2.96 0.21 -4.76 118.68 124.83 1df0 s LEU 75 Ca -0.04 0.54 -0.20 0.00 -0.22 0.00 0.00 54.13 54.22 1df0 s LEU 75 Cb -0.12 -2.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.89 1df0 s LEU 75 CO 0.03 -0.15 0.97 -0.83 -1.32 0.00 0.00 176.35 175.05 1df0 s GLY 76 N 1.21 2.32 0.17 7.98 0.00 -1.26 -0.43 107.32 117.31 1df0 s GLY 76 Ca 0.20 0.37 -0.14 0.00 0.00 0.00 0.00 44.72 45.16 1df0 s GLY 76 CO 0.09 0.66 1.83 -2.75 0.00 0.00 0.00 173.10 172.92 1df0 h PHE 77 N 1.56 0.69 -0.87 1.90 3.57 -1.88 0.19 116.94 122.09 1df0 h PHE 77 Ca -0.48 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.06 1df0 h PHE 77 Cb 1.19 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 1df0 h PHE 77 CO 0.62 0.45 0.56 0.93 -2.23 0.00 0.00 178.31 178.64 1df0 h GLU 78 N 0.73 1.05 -0.65 1.11 4.39 -1.94 -1.14 114.58 118.13 1df0 h GLU 78 Ca 0.20 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 1df0 h GLU 78 Cb -0.06 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.33 1df0 h GLU 78 CO -0.04 0.69 0.17 0.93 -1.16 0.00 0.00 179.01 179.60 1df0 h GLU 79 N 1.08 1.02 -0.06 2.33 3.07 -1.73 -2.57 114.58 117.71 1df0 h GLU 79 Ca 0.35 -0.23 -0.07 0.00 -0.50 0.00 0.00 59.36 58.92 1df0 h GLU 79 Cb 0.03 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1df0 h GLU 79 CO -0.13 0.90 -0.29 0.35 -1.40 0.00 0.00 179.01 178.44 1df0 h PHE 80 N 0.98 0.13 -0.25 4.33 3.57 0.10 -1.31 116.94 124.47 1df0 h PHE 80 Ca 0.21 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1df0 h PHE 80 Cb 0.33 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1df0 h PHE 80 CO 0.02 0.40 -0.05 0.87 -2.23 0.00 0.00 178.31 177.33 1df0 h LYS 81 N 0.11 0.48 -0.43 1.11 1.57 -0.83 0.44 116.57 119.01 1df0 h LYS 81 Ca 0.02 -0.18 0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1df0 h LYS 81 Cb 0.58 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1df0 h LYS 81 CO 0.04 0.69 0.17 -0.92 -0.57 0.00 0.00 179.45 178.86 1df0 h TYR 82 N 0.23 0.31 0.45 -1.35 3.20 -1.29 -1.10 116.97 117.41 1df0 h TYR 82 Ca 0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1df0 h TYR 82 Cb 0.51 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1df0 h TYR 82 CO 0.05 0.13 -0.21 1.25 -1.64 0.00 0.00 178.16 177.74 1df0 h LEU 83 N 0.35 -0.51 -0.65 2.82 5.85 -1.07 -2.64 115.31 119.47 1df0 h LEU 83 Ca 0.20 -0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.05 1df0 h LEU 83 Cb 0.16 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 1df0 h LEU 83 CO -0.18 -0.33 0.09 -0.25 -0.34 0.00 0.00 178.44 177.43 1df0 h TRP 84 N -0.64 0.13 -0.09 1.25 2.91 -0.54 -0.46 115.95 118.51 1df0 h TRP 84 Ca -0.06 0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.04 1df0 h TRP 84 Cb 0.48 0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.11 1df0 h TRP 84 CO -0.04 -0.10 -0.35 -0.97 -1.03 0.00 0.00 178.44 175.96 1df0 h ASN 85 N 0.20 -1.06 -0.91 2.65 -1.24 -1.04 0.88 115.58 115.05 1df0 h ASN 85 Ca 0.35 0.15 0.11 0.00 0.71 0.00 0.00 56.30 57.61 1df0 h ASN 85 Cb 0.56 0.44 -0.07 0.00 0.73 0.00 0.00 38.32 39.98 1df0 h ASN 85 CO -0.48 -0.39 0.59 0.78 -1.29 0.00 0.00 177.43 176.64 1df0 h ASN 86 N -0.45 0.81 0.47 1.15 2.35 -0.88 -1.20 115.58 117.83 1df0 h ASN 86 Ca 0.08 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1df0 h ASN 86 Cb 0.57 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1df0 h ASN 86 CO -0.34 0.46 -0.38 0.40 -1.65 0.00 0.00 177.43 175.92 1df0 h ILE 87 N 0.88 1.16 0.13 2.81 2.04 0.48 -0.16 117.51 124.85 1df0 h ILE 87 Ca 0.43 -1.34 -0.29 0.00 1.00 0.00 0.00 64.86 64.66 1df0 h ILE 87 Cb 0.47 1.74 0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1df0 h ILE 87 CO -0.20 0.37 -1.22 0.50 0.00 0.00 0.00 178.15 177.60 1df0 h LYS 88 N 0.00 0.60 0.51 2.37 3.64 0.26 -1.43 116.57 122.52 1df0 h LYS 88 Ca -0.00 -0.82 -0.02 0.00 -1.27 0.00 0.00 60.65 58.53 1df0 h LYS 88 Cb 0.71 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1df0 h LYS 88 CO 0.05 1.37 -0.24 -0.22 -2.27 0.00 0.00 179.45 178.14 1df0 h LYS 89 N 0.22 -0.66 0.00 1.90 3.64 -1.18 -1.88 116.57 118.61 1df0 h LYS 89 Ca -0.19 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1df0 h LYS 89 Cb 1.90 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1df0 h LYS 89 CO 0.23 -0.37 0.00 -1.49 -2.27 0.00 0.00 179.45 175.56 1df0 h TRP 90 N -0.87 0.00 -0.05 1.91 6.55 -1.12 -1.03 115.95 121.33 1df0 h TRP 90 Ca -0.07 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.75 1df0 h TRP 90 Cb 0.60 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.90 1df0 h TRP 90 CO -0.00 0.00 -0.05 0.37 -1.05 0.00 0.00 178.44 177.71 1df0 h GLN 91 N 0.00 0.12 -0.54 0.49 4.15 -0.82 -1.55 115.11 116.96 1df0 h GLN 91 Ca 0.00 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.43 1df0 h GLN 91 Cb 0.15 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.78 1df0 h GLN 91 CO 0.00 0.57 0.22 0.78 -1.93 0.00 0.00 178.83 178.47 1df0 h GLY 92 N -0.33 0.74 0.96 2.39 0.00 -0.40 -2.18 103.07 104.24 1df0 h GLY 92 Ca 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1df0 h GLY 92 CO 0.01 0.04 0.26 -2.22 0.00 0.00 0.00 176.54 174.63 1df0 h ILE 93 N 0.42 1.08 -0.85 2.60 2.04 -1.33 -2.12 117.51 119.35 1df0 h ILE 93 Ca 0.26 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1df0 h ILE 93 Cb 0.25 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1df0 h ILE 93 CO -0.23 0.10 0.56 0.22 0.00 0.00 0.00 178.15 178.79 1df0 h TYR 94 N 0.53 0.97 -0.51 1.37 3.20 -0.69 -1.39 116.97 120.45 1df0 h TYR 94 Ca 0.16 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1df0 h TYR 94 Cb -0.03 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 1df0 h TYR 94 CO -0.06 0.52 0.06 0.87 -1.64 0.00 0.00 178.16 177.91 1df0 h LYS 95 N 0.96 0.86 0.00 1.82 1.57 -0.92 0.17 116.57 121.04 1df0 h LYS 95 Ca 0.36 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1df0 h LYS 95 Cb 0.19 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1df0 h LYS 95 CO -0.13 0.87 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.53 1df0 h ARG 96 N 0.74 0.00 0.00 3.15 9.65 -0.63 -2.99 114.38 124.30 1df0 h ARG 96 Ca 0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1df0 h ARG 96 Cb 0.44 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1df0 h ARG 96 CO 0.01 0.00 -0.65 1.19 2.80 0.00 0.00 179.97 183.32 1df0 n PHE 97 N -3.10 0.00 -2.36 2.20 3.01 -0.89 -4.71 117.46 111.62 1df0 n PHE 97 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 1df0 n PHE 97 Cb 0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 1df0 n PHE 97 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1df0 n ASP 98 N -1.35 5.24 -0.09 4.37 4.64 -0.00 -4.76 116.55 124.59 1df0 n ASP 98 Ca 0.00 -3.13 -0.05 0.00 -1.38 0.00 0.00 54.79 50.23 1df0 n ASP 98 Cb 0.11 -1.46 -0.04 0.00 -1.04 0.00 0.00 41.12 38.69 1df0 n ASP 98 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 1df0 h THR 99 N 3.68 0.00 0.00 5.18 2.02 -1.84 -1.23 112.91 120.71 1df0 h THR 99 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.57 1df0 h THR 99 Cb 0.62 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1df0 h THR 99 CO 1.61 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 176.60 1df0 n ASP 100 N -3.76 0.00 -3.50 4.18 3.85 -1.26 -4.85 116.55 111.22 1df0 n ASP 100 Ca -0.01 -1.13 -0.25 0.00 -0.71 0.00 0.00 54.79 52.69 1df0 n ASP 100 Cb 0.12 0.00 0.05 0.00 -1.35 0.00 0.00 41.12 39.94 1df0 n ASP 100 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1df0 n ARG 101 N -0.85 -6.40 0.27 0.11 3.00 -0.47 -4.87 116.66 107.45 1df0 n ARG 101 Ca 0.15 0.78 0.16 0.00 -0.01 0.00 0.00 57.85 58.93 1df0 n ARG 101 Cb 0.07 -5.74 0.64 0.00 0.00 0.00 0.00 32.46 27.43 1df0 n ARG 101 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1df0 h SER 102 N -2.13 0.00 0.00 0.55 4.64 -1.89 -3.43 113.55 111.29 1df0 h SER 102 Ca -0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1df0 h SER 102 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1df0 h SER 102 CO 0.58 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 1df0 n GLY 103 N 0.08 2.64 2.67 -0.77 0.00 -1.26 -5.03 105.19 103.52 1df0 n GLY 103 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1df0 n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1df0 n THR 104 N -0.85 0.00 -4.20 2.61 -2.24 -1.26 -3.84 114.28 104.50 1df0 n THR 104 Ca 0.00 -1.92 -0.27 0.00 -2.27 0.00 0.00 64.05 59.60 1df0 n THR 104 Cb 0.00 0.73 -0.17 0.00 -2.10 0.00 0.00 70.33 68.80 1df0 n THR 104 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1df0 s ILE 105 N -2.83 1.17 0.58 2.28 1.01 -0.22 -4.62 121.20 118.57 1df0 s ILE 105 Ca 0.19 -0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 1df0 s ILE 105 Cb 0.01 -1.12 -0.09 0.00 0.01 0.00 0.00 42.46 41.27 1df0 s ILE 105 CO 0.14 0.38 0.39 0.61 0.00 0.00 0.00 174.94 176.45 1df0 n GLY 106 N 4.47 -1.86 0.29 6.18 0.00 -1.26 -3.12 105.19 109.89 1df0 n GLY 106 Ca -0.17 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.76 1df0 n GLY 106 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1df0 h SER 107 N 0.10 0.00 1.08 1.61 0.87 -1.94 -2.74 113.55 112.53 1df0 h SER 107 Ca -0.45 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.97 1df0 h SER 107 Cb 1.40 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.34 1df0 h SER 107 CO 0.45 0.00 -0.98 0.78 -0.53 0.00 0.00 176.83 176.55 1df0 h ASN 108 N 0.00 0.00 0.77 6.23 4.21 -1.91 -3.36 115.58 121.52 1df0 h ASN 108 Ca 0.02 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.28 1df0 h ASN 108 Cb 0.10 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.27 1df0 h ASN 108 CO -0.00 0.56 -1.29 -0.33 -1.29 0.00 0.00 177.43 175.08 1df0 h GLU 109 N 0.00 0.03 -0.79 0.81 3.07 -1.85 -3.39 114.58 112.47 1df0 h GLU 109 Ca -0.08 -0.05 0.18 0.00 -0.50 0.00 0.00 59.36 58.91 1df0 h GLU 109 Cb 1.50 0.02 -0.14 0.00 -0.84 0.00 0.00 28.75 29.28 1df0 h GLU 109 CO 0.06 0.85 -0.05 -0.07 -1.40 0.00 0.00 179.01 178.39 1df0 h LEU 110 N 0.01 -0.47 -1.37 1.33 3.38 -1.65 0.33 115.31 116.86 1df0 h LEU 110 Ca -0.13 0.22 0.19 0.00 0.09 0.00 0.00 57.88 58.25 1df0 h LEU 110 Cb 1.88 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 42.95 1df0 h LEU 110 CO 0.12 -0.22 0.60 -0.65 0.09 0.00 0.00 178.44 178.38 1df0 h PRO 111 N 0.06 0.51 0.00 1.13 0.11 -1.82 0.53 132.00 132.52 1df0 h PRO 111 Ca 0.42 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.34 1df0 h PRO 111 Cb 0.74 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1df0 h PRO 111 CO -0.73 0.33 -0.76 0.78 -0.21 0.00 0.00 178.00 177.41 1df0 h GLY 112 N 0.52 0.00 0.76 -0.55 0.00 -1.24 -2.66 103.07 99.90 1df0 h GLY 112 Ca 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.80 1df0 h GLY 112 CO -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.06 1df0 h ALA 113 N 1.24 -0.71 -0.04 3.60 0.00 1.00 0.85 119.26 125.20 1df0 h ALA 113 Ca -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1df0 h ALA 113 Cb 1.54 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1df0 h ALA 113 CO 0.10 -0.77 0.08 0.74 0.00 0.00 0.00 179.25 179.39 1df0 h PHE 114 N -0.95 0.00 0.00 0.00 -1.00 -0.87 0.16 116.94 114.28 1df0 h PHE 114 Ca -0.07 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.49 1df0 h PHE 114 Cb 0.62 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.15 1df0 h PHE 114 CO 0.00 0.00 -1.19 1.49 -1.61 0.00 0.00 178.31 177.00 1df0 h GLU 115 N 0.00 0.00 0.00 1.51 4.81 -1.17 -1.95 114.58 117.78 1df0 h GLU 115 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1df0 h GLU 115 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1df0 h GLU 115 CO -0.00 0.69 0.00 0.00 -0.73 0.00 0.00 179.01 178.97 1df0 h ALA 116 N 1.12 1.00 -0.00 2.92 0.00 0.18 -2.02 119.26 122.46 1df0 h ALA 116 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1df0 h ALA 116 Cb 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1df0 h ALA 116 CO 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 179.25 179.12 1df0 n ALA 117 N -1.86 3.00 -0.11 0.00 0.00 -0.39 -4.93 120.51 116.23 1df0 n ALA 117 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1df0 n ALA 117 Cb 0.30 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1df0 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1df0 n GLY 118 N 1.36 0.69 3.38 0.00 0.00 -0.76 -5.01 105.19 104.85 1df0 n GLY 118 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 1df0 n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1df0 s PHE 119 N -2.35 3.02 -0.52 1.61 0.08 -0.76 -5.00 117.98 114.05 1df0 s PHE 119 Ca 0.00 -1.01 -0.19 0.00 0.12 0.00 0.00 56.93 55.85 1df0 s PHE 119 Cb 0.00 -4.05 0.07 0.00 -0.57 0.00 0.00 43.02 38.47 1df0 s PHE 119 CO 0.00 -1.33 0.63 -3.38 -0.10 0.00 0.00 175.22 171.04 1df0 s HIS 120 N 2.67 3.05 0.00 0.36 -3.43 -1.26 -3.97 115.29 112.71 1df0 s HIS 120 Ca 0.14 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 1df0 s HIS 120 Cb -0.21 -3.61 0.00 0.00 -1.43 0.00 0.00 32.58 27.32 1df0 s HIS 120 CO 0.05 -1.07 0.00 1.28 -2.00 0.00 0.00 174.74 173.00 1df0 n LEU 121 N 6.13 0.00 -4.08 5.38 7.99 -1.26 -5.16 117.00 126.00 1df0 n LEU 121 Ca -0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.85 1df0 n LEU 121 Cb 0.45 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.66 1df0 n LEU 121 CO 0.54 0.00 -0.34 0.54 -1.51 0.00 0.00 177.39 176.63 1df0 s ASN 122 N 0.21 0.45 0.63 -1.43 2.20 -1.26 -5.02 114.94 110.72 1df0 s ASN 122 Ca 0.00 -0.99 0.30 0.00 -0.94 0.00 0.00 52.86 51.23 1df0 s ASN 122 Cb 0.00 0.22 1.63 0.00 -2.00 0.00 0.00 41.25 41.10 1df0 s ASN 122 CO 0.00 -0.62 1.91 1.56 -2.94 0.00 0.00 177.10 177.01 1df0 h GLN 123 N 3.10 0.00 0.15 3.55 1.08 -2.02 -1.15 115.11 119.83 1df0 h GLN 123 Ca -0.34 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.63 1df0 h GLN 123 Cb 1.15 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.60 1df0 h GLN 123 CO 0.65 0.00 -0.98 1.25 -0.95 0.00 0.00 178.83 178.80 1df0 h HIS 124 N 0.00 0.69 -0.86 2.96 2.76 -1.95 -2.23 115.15 116.52 1df0 h HIS 124 Ca 0.00 -0.49 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1df0 h HIS 124 Cb 0.59 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 1df0 h HIS 124 CO 0.00 1.37 0.55 0.82 -1.30 0.00 0.00 177.93 179.36 1df0 h ILE 125 N -0.18 1.23 -0.11 6.26 1.08 -1.62 -0.05 117.51 124.12 1df0 h ILE 125 Ca -0.17 -0.45 -0.09 0.00 -0.39 0.00 0.00 64.86 63.76 1df0 h ILE 125 Cb 1.76 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 1df0 h ILE 125 CO 0.18 0.23 -0.36 1.88 -0.69 0.00 0.00 178.15 179.40 1df0 h TYR 126 N 1.17 0.25 -0.01 1.37 0.05 -1.61 1.73 116.97 119.92 1df0 h TYR 126 Ca 0.31 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1df0 h TYR 126 Cb -0.10 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.58 1df0 h TYR 126 CO -0.01 0.55 0.00 0.43 -1.05 0.00 0.00 178.16 178.09 1df0 n SER 127 N -4.07 1.01 0.00 3.88 7.64 -0.11 0.42 113.62 122.39 1df0 n SER 127 Ca -0.01 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.86 1df0 n SER 127 Cb 0.44 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1df0 n SER 127 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1df0 n MET 128 N -0.01 0.00 -0.02 1.43 0.00 -0.11 -4.65 117.12 113.76 1df0 n MET 128 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.70 57.58 1df0 n MET 128 Cb 0.25 -0.28 -0.07 0.00 0.00 0.00 0.00 33.22 33.12 1df0 n MET 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1df0 h ILE 129 N 0.00 1.21 0.81 1.12 2.04 0.29 0.35 117.51 123.32 1df0 h ILE 129 Ca 0.00 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 1df0 h ILE 129 Cb 0.35 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1df0 h ILE 129 CO 0.00 0.19 -0.44 0.40 0.00 0.00 0.00 178.15 178.30 1df0 h ILE 130 N -0.06 0.11 -0.75 -0.67 1.08 -0.25 0.52 117.51 117.48 1df0 h ILE 130 Ca 0.03 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.70 1df0 h ILE 130 Cb 0.27 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 34.09 1df0 h ILE 130 CO 0.00 0.00 0.52 -0.09 -0.69 0.00 0.00 178.15 177.90 1df0 h ARG 131 N -1.15 0.13 0.17 2.37 9.65 -1.69 0.21 114.38 124.07 1df0 h ARG 131 Ca -0.11 -0.01 -0.31 0.00 -1.10 0.00 0.00 59.98 58.45 1df0 h ARG 131 Cb 0.91 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.47 1df0 h ARG 131 CO 0.14 0.09 -1.49 -0.09 2.80 0.00 0.00 179.97 181.42 1df0 h ARG 132 N 0.14 0.36 -0.04 0.20 9.65 -0.30 -3.40 114.38 120.99 1df0 h ARG 132 Ca 0.36 -0.61 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1df0 h ARG 132 Cb 1.24 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 30.05 1df0 h ARG 132 CO -0.05 1.26 0.00 0.66 2.80 0.00 0.00 179.97 184.64 1df0 n TYR 133 N -3.56 0.03 -2.36 2.20 4.02 0.18 -5.04 117.16 112.63 1df0 n TYR 133 Ca -0.16 -0.03 -0.25 0.00 -0.01 0.00 0.00 57.90 57.44 1df0 n TYR 133 Cb 1.06 -0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.49 1df0 n TYR 133 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1df0 s SER 134 N -1.01 4.28 0.76 7.72 0.01 0.65 -4.78 113.70 121.34 1df0 s SER 134 Ca 0.15 0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.38 1df0 s SER 134 Cb 0.10 -0.42 0.06 0.00 0.21 0.00 0.00 66.02 65.97 1df0 s SER 134 CO 0.15 -1.92 0.38 -0.90 0.41 0.00 0.00 173.24 171.36 1df0 n ASP 135 N -3.01 0.22 0.26 2.44 5.68 -0.05 -4.91 116.55 117.19 1df0 n ASP 135 Ca 0.13 -1.26 0.14 0.00 -0.50 0.00 0.00 54.79 53.30 1df0 n ASP 135 Cb 0.60 -0.27 0.67 0.00 -1.14 0.00 0.00 41.12 40.97 1df0 n ASP 135 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1df0 h GLU 136 N 0.00 0.00 0.00 0.11 4.11 -1.99 -2.39 114.58 114.42 1df0 h GLU 136 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1df0 h GLU 136 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1df0 h GLU 136 CO 0.11 0.11 0.00 1.79 0.07 0.00 0.00 179.01 181.09 1df0 h THR 137 N 0.00 0.00 0.00 -1.06 1.35 -2.03 -3.46 112.91 107.71 1df0 h THR 137 Ca -0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1df0 h THR 137 Cb 0.50 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1df0 h THR 137 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1df0 n GLY 138 N 0.48 0.74 3.77 5.82 0.00 -0.90 -4.97 105.19 110.13 1df0 n GLY 138 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1df0 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1df0 s ASN 139 N -1.63 5.58 0.00 1.61 0.02 -1.26 -4.19 114.94 115.07 1df0 s ASN 139 Ca 0.00 0.09 0.00 0.00 -1.02 0.00 0.00 52.86 51.93 1df0 s ASN 139 Cb 0.00 -1.56 -0.04 0.00 0.02 0.00 0.00 41.25 39.67 1df0 s ASN 139 CO 0.00 0.25 0.07 -0.32 0.02 0.00 0.00 177.10 177.12 1df0 s MET 140 N -1.87 3.01 0.48 -0.60 1.75 -1.18 -0.87 119.30 120.02 1df0 s MET 140 Ca 0.24 -0.52 0.08 0.00 -1.25 0.00 0.00 55.69 54.25 1df0 s MET 140 Cb -0.12 -2.82 0.03 0.00 2.84 0.00 0.00 34.83 34.76 1df0 s MET 140 CO 0.15 0.64 0.60 0.16 -0.65 0.00 0.00 175.02 175.93 1df0 s ASP 141 N -1.74 5.30 0.22 1.11 -4.77 -1.26 -1.06 116.67 114.47 1df0 s ASP 141 Ca 0.23 -0.68 -0.07 0.00 -3.30 0.00 0.00 52.55 48.72 1df0 s ASP 141 Cb -0.12 -0.24 0.32 0.00 -1.09 0.00 0.00 42.92 41.79 1df0 s ASP 141 CO 0.14 -0.97 1.78 0.15 0.70 0.00 0.00 175.17 176.97 1df0 h PHE 142 N 0.55 0.63 0.30 2.11 3.57 -1.84 -0.21 116.94 122.05 1df0 h PHE 142 Ca -0.36 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 1df0 h PHE 142 Cb 1.28 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 1df0 h PHE 142 CO 0.47 0.24 -0.44 0.22 -2.23 0.00 0.00 178.31 176.57 1df0 h ASP 143 N 0.60 -1.25 0.08 0.41 -0.00 -1.94 -1.74 116.42 112.58 1df0 h ASP 143 Ca 0.34 0.11 -0.06 0.00 -0.00 0.00 0.00 57.03 57.43 1df0 h ASP 143 Cb 0.34 0.43 -0.01 0.00 -0.00 0.00 0.00 39.33 40.09 1df0 h ASP 143 CO -0.26 -0.53 -0.18 0.78 -0.00 0.00 0.00 179.24 179.05 1df0 h ASN 144 N -0.77 0.20 -0.05 2.28 2.35 -1.83 -0.90 115.58 116.86 1df0 h ASN 144 Ca -0.03 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1df0 h ASN 144 Cb 0.71 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 1df0 h ASN 144 CO -0.13 0.39 0.02 0.15 -1.65 0.00 0.00 177.43 176.22 1df0 h PHE 145 N 0.19 0.07 0.42 1.19 3.57 -0.83 0.15 116.94 121.70 1df0 h PHE 145 Ca 0.04 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1df0 h PHE 145 Cb 0.43 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1df0 h PHE 145 CO 0.01 0.16 -0.20 0.82 -2.23 0.00 0.00 178.31 176.87 1df0 h ILE 146 N -0.04 0.59 -0.79 1.41 1.08 -1.08 -1.96 117.51 116.73 1df0 h ILE 146 Ca 0.02 -0.16 0.19 0.00 -0.39 0.00 0.00 64.86 64.52 1df0 h ILE 146 Cb 0.12 0.67 -0.13 0.00 -3.07 0.00 0.00 36.82 34.41 1df0 h ILE 146 CO -0.00 0.03 0.09 -1.28 -0.69 0.00 0.00 178.15 176.30 1df0 h SER 147 N -0.65 -0.21 -0.15 1.72 0.87 -1.04 0.19 113.55 114.27 1df0 h SER 147 Ca -0.06 0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.58 1df0 h SER 147 Cb 0.48 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1df0 h SER 147 CO 0.09 -0.16 -0.29 0.00 -0.53 0.00 0.00 176.83 175.94 1df0 h LEU 149 N 0.54 0.76 -0.66 0.00 3.38 0.07 -1.95 115.31 117.46 1df0 h LEU 149 Ca 0.07 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.82 1df0 h LEU 149 Cb 0.77 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1df0 h LEU 149 CO 0.06 0.98 0.35 0.58 0.09 0.00 0.00 178.44 180.50 1df0 h VAL 150 N 0.65 0.94 -0.12 1.22 2.07 -0.86 0.62 116.25 120.76 1df0 h VAL 150 Ca 0.09 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1df0 h VAL 150 Cb 0.75 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1df0 h VAL 150 CO 0.06 0.12 -0.24 0.03 0.02 0.00 0.00 177.57 177.56 1df0 h ARG 151 N 0.64 0.38 -0.67 1.57 3.08 -1.48 0.11 114.38 118.01 1df0 h ARG 151 Ca 0.30 -0.24 0.09 0.00 0.07 0.00 0.00 59.98 60.20 1df0 h ARG 151 Cb 0.22 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 1df0 h ARG 151 CO -0.20 0.84 0.30 -0.07 -1.07 0.00 0.00 179.97 179.77 1df0 h LEU 152 N -0.04 0.37 0.06 3.04 -0.00 -1.05 0.16 115.31 117.85 1df0 h LEU 152 Ca 0.01 0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1df0 h LEU 152 Cb 0.82 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 1df0 h LEU 152 CO 0.05 0.21 -0.03 -0.78 -0.00 0.00 0.00 178.44 177.90 1df0 h ASP 153 N 0.52 -0.06 -0.35 -0.43 3.58 -0.79 -1.16 116.42 117.73 1df0 h ASP 153 Ca 0.33 -0.21 0.07 0.00 0.42 0.00 0.00 57.03 57.64 1df0 h ASP 153 Cb 0.38 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 41.36 1df0 h ASP 153 CO -0.28 0.18 -0.39 0.00 -2.88 0.00 0.00 179.24 175.86 1df0 h ALA 154 N 0.63 -0.37 0.00 -0.78 0.00 0.37 -0.73 119.26 118.38 1df0 h ALA 154 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1df0 h ALA 154 Cb 0.27 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1df0 h ALA 154 CO 0.01 -0.82 -0.28 0.52 0.00 0.00 0.00 179.25 178.67 1df0 h MET 155 N -0.33 0.00 0.94 0.00 2.86 -0.71 -1.45 114.93 116.24 1df0 h MET 155 Ca 0.14 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1df0 h MET 155 Cb 0.57 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.24 1df0 h MET 155 CO -0.53 0.28 -0.45 0.35 1.06 0.00 0.00 176.91 177.63 1df0 h PHE 156 N 0.00 -1.17 -0.66 -0.22 3.57 -0.20 -2.42 116.94 115.84 1df0 h PHE 156 Ca -0.00 -0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.61 1df0 h PHE 156 Cb 0.54 0.39 -0.11 0.00 2.79 0.00 0.00 35.95 39.56 1df0 h PHE 156 CO 0.00 -0.73 0.06 0.00 -2.23 0.00 0.00 178.31 175.41 1df0 h ARG 157 N -1.30 0.16 -0.60 1.11 3.08 -1.09 -1.84 114.38 113.91 1df0 h ARG 157 Ca -0.13 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.95 1df0 h ARG 157 Cb 0.97 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 1df0 h ARG 157 CO 0.21 0.11 0.34 0.00 -1.07 0.00 0.00 179.97 179.56 1df0 h ALA 158 N 1.58 0.79 -0.45 0.04 0.00 -1.24 0.23 119.26 120.21 1df0 h ALA 158 Ca 0.36 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1df0 h ALA 158 Cb 0.59 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1df0 h ALA 158 CO -0.53 0.04 0.17 0.35 0.00 0.00 0.00 179.25 179.29 1df0 h PHE 159 N 0.66 0.31 -0.51 0.00 3.57 -1.07 -0.22 116.94 119.67 1df0 h PHE 159 Ca 0.26 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1df0 h PHE 159 Cb 0.11 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1df0 h PHE 159 CO -0.07 0.12 0.28 0.00 -2.23 0.00 0.00 178.31 176.41 1df0 h ARG 160 N 0.36 0.72 -0.89 1.11 2.47 -0.57 -2.26 114.38 115.31 1df0 h ARG 160 Ca 0.21 -0.08 0.04 0.00 -1.26 0.00 0.00 59.98 58.88 1df0 h ARG 160 Cb 0.19 -0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 28.31 1df0 h ARG 160 CO -0.20 0.56 0.58 0.77 0.56 0.00 0.00 179.97 182.24 1df0 h SER 161 N 0.69 0.95 -0.44 7.04 0.02 0.40 -1.76 113.55 120.45 1df0 h SER 161 Ca 0.18 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1df0 h SER 161 Cb 0.05 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1df0 h SER 161 CO -0.03 0.65 0.00 0.18 -1.14 0.00 0.00 176.83 176.49 1df0 n LEU 162 N -4.45 3.09 -2.47 5.07 4.77 -0.19 -4.04 117.00 118.78 1df0 n LEU 162 Ca 0.12 -1.56 -0.14 0.00 -0.03 0.00 0.00 56.01 54.40 1df0 n LEU 162 Cb 0.11 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1df0 n LEU 162 CO 0.35 0.58 0.07 -0.67 -1.33 0.00 0.00 177.39 176.39 1df0 n ASP 163 N 0.71 3.21 -0.03 -1.43 4.64 -0.66 -4.77 116.55 118.21 1df0 n ASP 163 Ca 0.17 -3.00 -0.01 0.00 -1.38 0.00 0.00 54.79 50.57 1df0 n ASP 163 Cb 0.57 -0.44 -0.01 0.00 -1.04 0.00 0.00 41.12 40.21 1df0 n ASP 163 CO 0.00 0.00 0.00 2.29 -0.82 0.00 0.00 177.20 178.67 1df0 n LYS 164 N -0.53 -0.03 0.00 -0.67 2.85 -1.24 0.02 118.16 118.57 1df0 n LYS 164 Ca 0.25 0.20 0.09 0.00 -1.05 0.00 0.00 58.31 57.80 1df0 n LYS 164 Cb 0.84 -0.30 0.46 0.00 -0.65 0.00 0.00 35.03 35.38 1df0 n LYS 164 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1df0 n ASN 165 N -3.00 0.00 0.00 -5.58 3.02 -1.26 -4.89 115.26 103.55 1df0 n ASN 165 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1df0 n ASN 165 Cb 0.02 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1df0 n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1df0 n GLY 166 N 0.21 0.59 3.72 7.41 0.00 0.10 -5.03 105.19 112.20 1df0 n GLY 166 Ca 0.09 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1df0 n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1df0 s THR 167 N -2.00 3.97 -0.75 2.61 2.01 -1.26 -4.83 115.64 115.39 1df0 s THR 167 Ca 0.00 1.52 0.00 0.00 0.31 0.00 0.00 61.69 63.52 1df0 s THR 167 Cb 0.00 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1df0 s THR 167 CO 0.00 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 1df0 n GLY 168 N 2.72 0.00 3.25 4.40 0.00 -1.26 -4.69 105.19 109.62 1df0 n GLY 168 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1df0 n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1df0 s GLN 169 N -0.54 0.99 0.05 1.61 -0.21 -1.26 -5.17 119.66 115.13 1df0 s GLN 169 Ca 0.00 -1.18 0.01 0.00 0.02 0.00 0.00 55.36 54.21 1df0 s GLN 169 Cb 0.00 0.33 -0.03 0.00 1.00 0.00 0.00 33.01 34.31 1df0 s GLN 169 CO 0.00 -0.33 -0.05 0.96 -2.12 0.00 0.00 175.29 173.75 1df0 s ILE 170 N -3.95 0.35 -0.02 1.08 -4.36 -1.26 -4.77 121.20 108.26 1df0 s ILE 170 Ca 0.15 -1.35 0.06 0.00 -0.26 0.00 0.00 60.65 59.25 1df0 s ILE 170 Cb 0.05 -0.90 -0.01 0.00 1.25 0.00 0.00 42.46 42.85 1df0 s ILE 170 CO -0.03 -0.65 -0.19 -1.10 0.24 0.00 0.00 174.94 173.20 1df0 s GLN 171 N -2.49 1.59 -0.03 0.37 -0.21 -1.26 -5.15 119.66 112.47 1df0 s GLN 171 Ca -0.04 -0.70 -0.08 0.00 0.02 0.00 0.00 55.36 54.56 1df0 s GLN 171 Cb -0.03 -1.53 0.01 0.00 1.00 0.00 0.00 33.01 32.46 1df0 s GLN 171 CO -0.03 0.42 0.18 0.14 -2.12 0.00 0.00 175.29 173.88 1df0 s VAL 172 N -0.45 0.04 0.51 1.09 -7.23 -1.26 -5.12 120.40 107.98 1df0 s VAL 172 Ca 0.07 -0.36 -0.01 0.00 -1.81 0.00 0.00 61.98 59.87 1df0 s VAL 172 Cb -0.08 -0.38 0.01 0.00 0.56 0.00 0.00 36.38 36.49 1df0 s VAL 172 CO -0.01 -0.20 0.76 0.54 -0.31 0.00 0.00 175.10 175.89 1df0 s ASN 173 N -0.71 5.64 0.37 4.85 2.20 -1.26 -4.85 114.94 121.18 1df0 s ASN 173 Ca -0.08 0.36 0.18 0.00 -0.94 0.00 0.00 52.86 52.38 1df0 s ASN 173 Cb -0.05 -1.45 1.13 0.00 -2.00 0.00 0.00 41.25 38.88 1df0 s ASN 173 CO 0.01 -0.90 1.69 -0.29 -2.94 0.00 0.00 177.10 174.67 1df0 h ILE 174 N 0.15 0.35 0.11 0.54 6.09 -2.02 -0.89 117.51 121.85 1df0 h ILE 174 Ca -0.45 -0.11 -0.01 0.00 -1.37 0.00 0.00 64.86 62.92 1df0 h ILE 174 Cb 1.26 -0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.55 1df0 h ILE 174 CO 0.57 0.06 -0.05 -0.61 -3.07 0.00 0.00 178.15 175.05 1df0 h GLN 175 N 0.33 -0.14 -0.66 2.19 4.15 -2.00 -1.80 115.11 117.17 1df0 h GLN 175 Ca 0.70 0.01 0.04 0.00 0.77 0.00 0.00 58.65 60.17 1df0 h GLN 175 Cb 1.75 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 29.43 1df0 h GLN 175 CO -0.47 0.17 0.40 0.93 -1.93 0.00 0.00 178.83 177.93 1df0 h GLU 176 N -0.47 0.74 -0.08 1.69 5.08 -1.66 -2.49 114.58 117.39 1df0 h GLU 176 Ca -0.02 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1df0 h GLU 176 Cb 0.38 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1df0 h GLU 176 CO 0.03 0.49 -0.04 2.35 -1.00 0.00 0.00 179.01 180.83 1df0 h TRP 177 N 0.76 -0.10 0.00 4.33 2.91 -1.17 0.09 115.95 122.77 1df0 h TRP 177 Ca 0.28 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.28 1df0 h TRP 177 Cb 0.09 0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1df0 h TRP 177 CO -0.06 -0.07 -0.13 -0.07 -1.03 0.00 0.00 178.44 177.08 1df0 h LEU 178 N -0.04 0.00 0.00 0.65 3.38 -1.04 -0.67 115.31 117.59 1df0 h LEU 178 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1df0 h LEU 178 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1df0 h LEU 178 CO -0.11 0.13 -0.03 1.56 0.09 0.00 0.00 178.44 180.09 1df0 h GLN 179 N 0.00 0.01 -0.93 1.13 4.20 -0.99 -1.39 115.11 117.14 1df0 h GLN 179 Ca -0.00 -0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.83 1df0 h GLN 179 Cb 0.28 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.98 1df0 h GLN 179 CO 0.02 0.89 0.55 -0.07 -0.67 0.00 0.00 178.83 179.55 1df0 h LEU 180 N -0.86 0.75 0.00 1.46 3.38 -0.59 -2.62 115.31 116.82 1df0 h LEU 180 Ca -0.00 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1df0 h LEU 180 Cb 0.90 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1df0 h LEU 180 CO 0.00 0.35 -1.78 0.35 0.09 0.00 0.00 178.44 177.45 1df0 n THR 181 N -4.74 0.33 0.08 0.22 -2.24 -0.29 -4.37 114.28 103.26 1df0 n THR 181 Ca 0.19 -0.55 -0.22 0.00 -2.27 0.00 0.00 64.05 61.19 1df0 n THR 181 Cb 0.42 -0.16 -0.13 0.00 -2.10 0.00 0.00 70.33 68.36 1df0 n THR 181 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1df0 h MET 182 N 0.00 0.61 -4.29 -0.78 2.86 -1.19 -3.38 114.93 108.76 1df0 h MET 182 Ca -0.06 -0.81 -0.76 0.00 -2.06 0.00 0.00 59.70 56.02 1df0 h MET 182 Cb 1.14 0.27 -0.22 0.00 0.06 0.00 0.00 31.60 32.85 1df0 h MET 182 CO 0.01 1.36 0.93 -0.47 1.06 0.00 0.00 176.91 179.80 1df0 s TYR 183 N -2.97 3.78 0.00 -0.22 5.04 -0.99 -5.08 117.35 116.90 1df0 s TYR 183 Ca -0.10 -2.30 0.00 0.00 -2.44 0.00 0.00 57.07 52.23 1df0 s TYR 183 Cb 0.05 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.25 1df0 s TYR 183 CO 0.92 -1.22 0.00 -1.13 -1.34 0.00 0.00 175.55 172.79