#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s21 n SER 30 N 0.00 3.19 0.11 3.54 3.41 -1.16 -4.18 113.62 118.52 1s21 n SER 30 Ca 0.00 -2.51 0.03 0.00 -0.26 0.00 0.00 58.87 56.13 1s21 n SER 30 Cb 0.00 -0.35 0.42 0.00 -0.26 0.00 0.00 64.21 64.01 1s21 n SER 30 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1s21 h ARG 31 N 1.57 0.26 -0.10 4.33 0.11 -1.93 -2.75 114.38 115.88 1s21 h ARG 31 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1s21 h ARG 31 Cb 1.03 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.06 1s21 h ARG 31 CO 0.09 0.34 0.00 1.19 0.10 0.00 0.00 179.97 181.69 1s21 n PHE 32 N -4.33 0.09 -1.61 4.08 3.01 -1.26 -4.93 117.46 112.52 1s21 n PHE 32 Ca -0.00 -0.04 -0.47 0.00 1.01 0.00 0.00 57.45 57.94 1s21 n PHE 32 Cb 0.22 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.65 1s21 n PHE 32 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1s21 n VAL 33 N -0.30 1.00 -0.51 -4.37 0.31 -1.04 -0.84 118.33 112.58 1s21 n VAL 33 Ca 0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1s21 n VAL 33 Cb 0.06 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1s21 n VAL 33 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s21 n GLY 34 N 1.99 1.94 0.68 2.92 0.00 -1.26 -4.86 105.19 106.60 1s21 n GLY 34 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1s21 n GLY 34 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s21 n GLN 35 N -2.00 1.68 -1.88 1.61 6.02 -0.02 -4.69 117.38 118.11 1s21 n GLN 35 Ca 0.00 -1.37 -0.41 0.00 -0.01 0.00 0.00 57.00 55.20 1s21 n GLN 35 Cb 0.00 -1.45 -0.00 0.00 1.02 0.00 0.00 30.24 29.81 1s21 n GLN 35 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1s21 n TYR 36 N 0.55 3.08 1.09 1.08 4.02 -1.26 -4.66 117.16 121.06 1s21 n TYR 36 Ca 0.11 -2.92 0.12 0.00 -0.01 0.00 0.00 57.90 55.20 1s21 n TYR 36 Cb 0.51 -2.29 0.30 0.00 -0.02 0.00 0.00 39.34 37.84 1s21 n TYR 36 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1s21 n THR 37 N 3.97 0.00 -2.16 -0.72 -2.24 -1.26 -4.62 114.28 107.25 1s21 n THR 37 Ca 0.53 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.89 1s21 n THR 37 Cb 0.34 0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1s21 n THR 37 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1s21 s LEU 38 N -2.81 4.04 0.00 3.22 1.43 -1.26 -4.94 118.68 118.36 1s21 s LEU 38 Ca 0.16 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1s21 s LEU 38 Cb 0.18 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 42.23 1s21 s LEU 38 CO 0.63 -0.98 0.11 0.35 0.23 0.00 0.00 176.35 176.70 1s21 n THR 39 N -0.41 0.00 -4.09 5.49 -2.24 -1.26 -4.45 114.28 107.31 1s21 n THR 39 Ca 0.07 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1s21 n THR 39 Cb 0.47 1.34 -0.14 0.00 -2.10 0.00 0.00 70.33 69.89 1s21 n THR 39 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1s21 s SER 40 N -0.17 0.49 0.58 3.42 0.15 -1.26 -0.55 113.70 116.36 1s21 s SER 40 Ca 0.00 -0.09 0.39 0.00 0.70 0.00 0.00 55.95 56.95 1s21 s SER 40 Cb 0.00 -0.05 2.01 0.00 -1.71 0.00 0.00 66.02 66.27 1s21 s SER 40 CO 0.00 0.04 2.18 0.16 1.20 0.00 0.00 173.24 176.82 1s21 h ILE 41 N 5.03 0.00 0.00 6.45 3.07 -1.68 -0.02 117.51 130.36 1s21 h ILE 41 Ca -0.27 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.02 1s21 h ILE 41 Cb 1.20 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1s21 h ILE 41 CO 0.50 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.01 1s21 n HIS 42 N -2.94 0.00 1.06 0.16 8.25 -1.26 -2.27 115.22 118.21 1s21 n HIS 42 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 1s21 n HIS 42 Cb 0.12 -0.26 0.18 0.00 1.12 0.00 0.00 29.99 31.15 1s21 n HIS 42 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1s21 n GLN 43 N -1.26 0.29 -3.04 -0.41 6.02 -0.02 -4.88 117.38 114.08 1s21 n GLN 43 Ca 0.14 -0.20 -0.25 0.00 -0.01 0.00 0.00 57.00 56.68 1s21 n GLN 43 Cb 0.21 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.97 1s21 n GLN 43 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1s21 s LEU 44 N -2.84 3.81 1.06 1.08 1.43 -0.96 -5.07 118.68 117.19 1s21 s LEU 44 Ca 0.14 0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.71 1s21 s LEU 44 Cb 0.18 -3.50 0.22 0.00 0.03 0.00 0.00 46.19 43.12 1s21 s LEU 44 CO 0.68 -0.47 1.08 -0.94 0.23 0.00 0.00 176.35 176.93 1s21 s SER 45 N -4.09 2.04 0.14 2.29 1.04 -1.26 -4.69 113.70 109.17 1s21 s SER 45 Ca 0.44 1.17 -0.17 0.00 0.48 0.00 0.00 55.95 57.87 1s21 s SER 45 Cb -0.10 -1.83 -0.01 0.00 0.10 0.00 0.00 66.02 64.18 1s21 s SER 45 CO 0.40 -3.49 1.80 0.28 0.98 0.00 0.00 173.24 173.20 1s21 h SER 46 N -2.14 0.40 -0.59 7.02 0.02 -1.97 0.40 113.55 116.68 1s21 h SER 46 Ca -0.56 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.39 1s21 h SER 46 Cb 1.33 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.74 1s21 h SER 46 CO 0.55 0.30 0.39 -0.08 -1.14 0.00 0.00 176.83 176.84 1s21 h GLU 47 N 0.47 0.76 -0.02 3.45 4.81 -1.99 -0.84 114.58 121.22 1s21 h GLU 47 Ca 0.13 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 1s21 h GLU 47 Cb -0.05 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1s21 h GLU 47 CO -0.03 0.50 -0.78 0.93 -0.73 0.00 0.00 179.01 178.91 1s21 h GLU 48 N 0.78 0.19 -0.47 1.92 4.39 -1.88 -1.86 114.58 117.66 1s21 h GLU 48 Ca 0.22 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1s21 h GLU 48 Cb -0.06 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1s21 h GLU 48 CO -0.06 0.88 0.21 -0.09 -1.16 0.00 0.00 179.01 178.79 1s21 h ARG 49 N 0.12 0.69 -0.41 2.33 2.43 -0.63 0.53 114.38 119.45 1s21 h ARG 49 Ca -0.03 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 1s21 h ARG 49 Cb 1.36 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1s21 h ARG 49 CO 0.12 0.59 -0.02 0.93 -1.51 0.00 0.00 179.97 180.08 1s21 h GLU 50 N 0.62 0.66 -0.55 0.20 4.39 -1.10 -1.06 114.58 117.73 1s21 h GLU 50 Ca 0.16 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1s21 h GLU 50 Cb 0.14 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1s21 h GLU 50 CO -0.02 0.70 0.13 -0.91 -1.16 0.00 0.00 179.01 177.75 1s21 h ASN 51 N 0.62 0.84 -0.37 1.42 2.35 -0.66 -0.39 115.58 119.39 1s21 h ASN 51 Ca 0.12 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 1s21 h ASN 51 Cb 0.43 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1s21 h ASN 51 CO 0.02 0.86 0.07 0.15 -1.65 0.00 0.00 177.43 176.88 1s21 h PHE 52 N 0.79 0.65 -0.72 1.19 3.57 -0.47 -2.15 116.94 119.79 1s21 h PHE 52 Ca 0.17 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1s21 h PHE 52 Cb 0.35 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1s21 h PHE 52 CO 0.02 0.65 0.25 -0.07 -2.23 0.00 0.00 178.31 176.94 1s21 h LEU 53 N 0.46 1.02 -1.80 0.59 3.38 -1.07 0.33 115.31 118.21 1s21 h LEU 53 Ca 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1s21 h LEU 53 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1s21 h LEU 53 CO 0.01 0.93 0.07 0.44 0.09 0.00 0.00 178.44 179.98 1s21 h ASP 54 N 1.06 0.18 0.59 -0.43 3.32 -0.80 0.12 116.42 120.46 1s21 h ASP 54 Ca 0.24 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 1s21 h ASP 54 Cb 0.25 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1s21 h ASP 54 CO -0.01 0.15 -1.51 0.00 -1.72 0.00 0.00 179.24 176.15 1s21 n ALA 55 N -2.51 2.16 0.00 3.45 0.00 -0.83 -4.18 120.51 118.59 1s21 n ALA 55 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1s21 n ALA 55 Cb 0.10 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1s21 n ALA 55 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1s21 n HIS 56 N -2.73 0.00 -2.30 0.00 8.25 0.04 -4.89 115.22 113.60 1s21 n HIS 56 Ca -0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.94 1s21 n HIS 56 Cb 0.77 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.85 1s21 n HIS 56 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1s21 s ASP 57 N -1.35 6.73 0.28 0.41 -1.08 0.01 -4.81 116.67 116.85 1s21 s ASP 57 Ca 0.00 1.64 0.01 0.00 -0.52 0.00 0.00 52.55 53.68 1s21 s ASP 57 Cb 0.00 -2.54 0.64 0.00 -1.46 0.00 0.00 42.92 39.56 1s21 s ASP 57 CO 0.00 -0.96 1.68 -0.65 0.52 0.00 0.00 175.17 175.76 1s21 h PRO 58 N 9.16 0.32 -0.78 4.34 0.11 -1.87 0.27 132.00 143.55 1s21 h PRO 58 Ca -0.30 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.90 1s21 h PRO 58 Cb 1.12 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.09 1s21 h PRO 58 CO 0.99 0.21 0.41 0.52 -0.21 0.00 0.00 178.00 179.92 1s21 h MET 59 N 0.33 0.66 0.00 1.05 2.86 -1.90 0.28 114.93 118.21 1s21 h MET 59 Ca 0.51 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 58.08 1s21 h MET 59 Cb 0.96 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 1s21 h MET 59 CO -0.55 0.44 -0.20 0.00 1.06 0.00 0.00 176.91 177.66 1s21 h ARG 60 N 0.68 0.00 -0.47 1.72 3.08 -1.36 0.43 114.38 118.46 1s21 h ARG 60 Ca 0.39 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.53 1s21 h ARG 60 Cb 0.41 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 1s21 h ARG 60 CO -0.28 0.75 0.03 0.28 -1.07 0.00 0.00 179.97 179.68 1s21 h VAL 61 N -1.00 0.66 -0.60 2.04 2.07 -0.49 -1.93 116.25 117.00 1s21 h VAL 61 Ca -0.05 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1s21 h VAL 61 Cb 0.82 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1s21 h VAL 61 CO -0.03 0.03 0.00 -1.22 0.02 0.00 0.00 177.57 176.37 1s21 n TYR 62 N -5.19 0.90 -3.76 1.57 4.02 0.08 -4.96 117.16 109.81 1s21 n TYR 62 Ca 0.05 -0.43 -0.33 0.00 -0.01 0.00 0.00 57.90 57.19 1s21 n TYR 62 Cb 0.25 -0.04 0.03 0.00 -0.02 0.00 0.00 39.34 39.56 1s21 n TYR 62 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1s21 n ASP 63 N 1.23 -5.12 -4.96 7.72 2.03 -0.73 -4.97 116.55 111.76 1s21 n ASP 63 Ca 0.21 -1.02 -0.22 0.00 0.52 0.00 0.00 54.79 54.28 1s21 n ASP 63 Cb 0.56 -2.76 -0.02 0.00 -0.72 0.00 0.00 41.12 38.18 1s21 n ASP 63 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1s21 s LEU 64 N -6.33 4.18 0.00 -2.67 1.43 0.12 -5.03 118.68 110.39 1s21 s LEU 64 Ca 0.37 0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.60 1s21 s LEU 64 Cb -0.16 -3.03 0.03 0.00 0.03 0.00 0.00 46.19 43.06 1s21 s LEU 64 CO 0.89 -0.18 0.62 -0.46 0.23 0.00 0.00 176.35 177.45 1s21 n ASN 65 N -1.57 -1.78 0.32 2.29 0.23 -1.26 -4.83 115.26 108.66 1s21 n ASN 65 Ca -0.07 -2.68 0.20 0.00 -0.53 0.00 0.00 54.58 51.50 1s21 n ASN 65 Cb 0.57 3.09 1.08 0.00 -2.08 0.00 0.00 39.78 42.44 1s21 n ASN 65 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1s21 h SER 66 N 1.91 0.00 -0.03 0.53 4.64 -1.96 -1.85 113.55 116.79 1s21 h SER 66 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1s21 h SER 66 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1s21 h SER 66 CO 0.38 0.01 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.73 1s21 n GLU 67 N -3.28 2.18 -1.99 4.77 -0.58 -1.26 -0.40 120.64 120.08 1s21 n GLU 67 Ca -0.03 -1.71 -0.42 0.00 -0.42 0.00 0.00 57.16 54.59 1s21 n GLU 67 Cb 0.10 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 1s21 n GLU 67 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1s21 s THR 68 N -2.00 2.69 -0.01 2.62 2.01 -0.70 -4.80 115.64 115.45 1s21 s THR 68 Ca 0.30 0.54 -0.14 0.00 0.31 0.00 0.00 61.69 62.70 1s21 s THR 68 Cb 0.20 -3.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 1s21 s THR 68 CO 0.31 0.07 0.39 -0.94 -0.69 0.00 0.00 174.62 173.75 1s21 s SER 69 N 0.71 6.77 0.10 3.53 1.04 -1.26 -0.64 113.70 123.96 1s21 s SER 69 Ca 0.64 0.92 0.09 0.00 0.48 0.00 0.00 55.95 58.08 1s21 s SER 69 Cb -0.42 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 1s21 s SER 69 CO 0.38 0.32 -0.23 0.68 0.98 0.00 0.00 173.24 175.37 1s21 s VAL 70 N -1.02 1.87 0.13 5.02 -7.23 -0.02 -4.60 120.40 114.55 1s21 s VAL 70 Ca 0.23 -1.58 0.06 0.00 -1.81 0.00 0.00 61.98 58.88 1s21 s VAL 70 Cb -0.16 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 1s21 s VAL 70 CO 0.13 0.01 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.48 1s21 s TYR 71 N -1.10 1.38 0.02 2.82 1.51 0.18 -0.60 117.35 121.56 1s21 s TYR 71 Ca 0.09 -0.60 -0.27 0.00 -1.01 0.00 0.00 57.07 55.27 1s21 s TYR 71 Cb -0.10 -0.71 0.08 0.00 -0.11 0.00 0.00 41.96 41.12 1s21 s TYR 71 CO 0.04 0.14 0.74 -0.98 -1.11 0.00 0.00 175.55 174.39 1s21 s ARG 72 N -2.96 1.03 0.05 -0.62 1.70 -1.07 0.19 118.95 117.27 1s21 s ARG 72 Ca 0.11 -0.15 -0.05 0.00 -0.47 0.00 0.00 55.73 55.17 1s21 s ARG 72 Cb -0.03 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 1s21 s ARG 72 CO 0.03 -0.40 0.30 0.99 -1.08 0.00 0.00 175.30 175.13 1s21 s THR 73 N -2.57 5.26 0.00 4.99 2.01 -1.26 -1.15 115.64 122.93 1s21 s THR 73 Ca -0.02 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.06 1s21 s THR 73 Cb -0.01 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.91 1s21 s THR 73 CO -0.04 0.25 0.00 1.07 -0.69 0.00 0.00 174.62 175.21 1s21 n THR 74 N 0.73 0.00 -4.63 -0.82 5.66 -0.37 -4.97 114.28 109.87 1s21 n THR 74 Ca -0.08 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.59 1s21 n THR 74 Cb 0.52 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.19 1s21 n THR 74 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1s21 s GLN 75 N -0.68 2.68 0.24 1.09 -0.21 -1.26 -0.12 119.66 121.39 1s21 s GLN 75 Ca 0.00 -0.59 -0.13 0.00 0.02 0.00 0.00 55.36 54.66 1s21 s GLN 75 Cb 0.00 -2.55 0.31 0.00 1.00 0.00 0.00 33.01 31.78 1s21 s GLN 75 CO 0.00 0.65 1.59 0.00 -2.12 0.00 0.00 175.29 175.41 1s21 h ARG 76 N 5.14 -0.02 -0.85 2.91 3.08 -1.92 -1.22 114.38 121.50 1s21 h ARG 76 Ca -0.48 0.00 0.22 0.00 0.07 0.00 0.00 59.98 59.78 1s21 h ARG 76 Cb 1.17 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.09 1s21 h ARG 76 CO 0.52 -0.01 0.22 0.93 -1.07 0.00 0.00 179.97 180.55 1s21 h GLU 77 N -0.02 0.22 0.00 0.04 3.07 -1.98 0.25 114.58 116.16 1s21 h GLU 77 Ca 0.37 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1s21 h GLU 77 Cb 0.60 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1s21 h GLU 77 CO -0.85 0.14 0.00 1.88 -1.40 0.00 0.00 179.01 178.79 1s21 h TYR 78 N 0.22 0.00 0.00 4.33 0.99 -1.61 -3.07 116.97 117.84 1s21 h TYR 78 Ca 0.52 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.23 1s21 h TYR 78 Cb 1.00 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.71 1s21 h TYR 78 CO -0.27 0.00 -0.38 1.33 -0.00 0.00 0.00 178.16 178.84 1s21 n VAL 79 N -2.86 0.68 0.20 -2.88 0.24 0.35 -4.62 118.33 109.44 1s21 n VAL 79 Ca -0.01 -0.92 0.15 0.00 -2.04 0.00 0.00 64.34 61.53 1s21 n VAL 79 Cb 0.17 0.27 0.78 0.00 -1.47 0.00 0.00 33.84 33.59 1s21 n VAL 79 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1s21 h ARG 80 N 0.11 0.00 -0.61 7.34 0.11 -0.54 -0.21 114.38 120.58 1s21 h ARG 80 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1s21 h ARG 80 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1s21 h ARG 80 CO 0.01 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.17 1s21 n ASN 81 N -4.07 3.65 0.00 0.08 3.02 -1.26 -4.91 115.26 111.77 1s21 n ASN 81 Ca 0.01 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 1s21 n ASN 81 Cb 0.28 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1s21 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s21 n GLY 82 N 1.07 0.73 3.21 7.41 0.00 -0.09 -5.05 105.19 112.47 1s21 n GLY 82 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 1s21 n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s21 s TYR 83 N -2.59 1.28 0.00 1.61 1.51 -1.25 -1.30 117.35 116.61 1s21 s TYR 83 Ca 0.00 -0.55 0.07 0.00 -1.01 0.00 0.00 57.07 55.58 1s21 s TYR 83 Cb 0.00 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1s21 s TYR 83 CO 0.00 0.09 -0.20 0.00 -1.11 0.00 0.00 175.55 174.33 1s21 s ALA 84 N -1.97 1.71 0.21 3.71 0.00 -0.10 -4.19 121.76 121.13 1s21 s ALA 84 Ca 0.05 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.18 1s21 s ALA 84 Cb -0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1s21 s ALA 84 CO 0.02 0.41 -0.08 0.95 0.00 0.00 0.00 175.76 177.06 1s21 s THR 85 N -0.57 3.20 0.62 0.00 -4.23 -1.26 -1.70 115.64 111.71 1s21 s THR 85 Ca 0.08 -1.77 -0.17 0.00 -1.18 0.00 0.00 61.69 58.64 1s21 s THR 85 Cb -0.08 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 1s21 s THR 85 CO -0.00 -0.20 1.14 -0.83 -0.54 0.00 0.00 174.62 174.19 1s21 s GLY 86 N -3.09 2.40 -0.17 3.99 0.00 -1.26 -4.95 107.32 104.24 1s21 s GLY 86 Ca 0.27 0.73 -0.20 0.00 0.00 0.00 0.00 44.72 45.51 1s21 s GLY 86 CO 0.16 1.09 0.59 -1.31 0.00 0.00 0.00 173.10 173.64 1s21 s ASN 87 N -2.14 6.71 0.44 1.64 0.01 0.11 -4.62 114.94 117.09 1s21 s ASN 87 Ca 0.71 0.85 0.24 0.00 -0.71 0.00 0.00 52.86 53.95 1s21 s ASN 87 Cb -0.24 -2.34 0.77 0.00 0.41 0.00 0.00 41.25 39.85 1s21 s ASN 87 CO 0.36 -0.19 1.76 -0.65 -1.51 0.00 0.00 177.10 176.87 1s21 h PRO 88 N 7.24 0.00 -2.19 -0.60 0.11 -1.92 -2.44 132.00 132.20 1s21 h PRO 88 Ca -0.35 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.19 1s21 h PRO 88 Cb 1.16 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.85 1s21 h PRO 88 CO 0.76 0.18 -0.74 0.09 -0.21 0.00 0.00 178.00 178.08 1s21 n ASN 89 N -3.24 3.37 -4.87 -2.05 3.02 -1.26 -4.88 115.26 105.34 1s21 n ASN 89 Ca 0.01 -3.43 -0.31 0.00 -0.03 0.00 0.00 54.58 50.83 1s21 n ASN 89 Cb 0.47 -0.61 -0.05 0.00 -0.61 0.00 0.00 39.78 38.99 1s21 n ASN 89 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1s21 s SER 90 N -2.80 6.61 -0.16 6.41 0.15 -1.26 -4.98 113.70 117.67 1s21 s SER 90 Ca 0.44 1.09 0.16 0.00 0.70 0.00 0.00 55.95 58.33 1s21 s SER 90 Cb 0.24 -2.30 0.53 0.00 -1.71 0.00 0.00 66.02 62.77 1s21 s SER 90 CO -0.09 -0.25 1.43 0.61 1.20 0.00 0.00 173.24 176.14 1s21 n GLY 91 N -0.75 3.80 3.77 9.45 0.00 -1.26 -4.59 105.19 115.61 1s21 n GLY 91 Ca 0.02 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1s21 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s21 s ALA 92 N -2.59 2.66 -0.21 4.61 0.00 -1.26 -4.86 121.76 120.12 1s21 s ALA 92 Ca 0.41 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 53.23 1s21 s ALA 92 Cb 0.32 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1s21 s ALA 92 CO 0.10 -0.90 -0.03 0.42 0.00 0.00 0.00 175.76 175.35 1s21 s ILE 93 N -1.70 3.58 0.23 0.00 1.01 -1.26 -0.63 121.20 122.43 1s21 s ILE 93 Ca 0.74 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 61.04 1s21 s ILE 93 Cb -0.26 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1s21 s ILE 93 CO 0.29 0.43 0.04 0.27 0.00 0.00 0.00 174.94 175.97 1s21 s ILE 94 N 1.20 3.76 -0.09 2.92 -4.36 0.19 -1.07 121.20 123.75 1s21 s ILE 94 Ca 0.03 -1.63 -0.13 0.00 -0.26 0.00 0.00 60.65 58.66 1s21 s ILE 94 Cb -0.14 -2.97 -0.05 0.00 1.25 0.00 0.00 42.46 40.55 1s21 s ILE 94 CO -0.00 -0.27 0.32 0.00 0.24 0.00 0.00 174.94 175.22 1s21 s ALA 95 N -2.07 3.68 -0.60 2.27 0.00 -0.82 -0.93 121.76 123.30 1s21 s ALA 95 Ca 0.30 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 1s21 s ALA 95 Cb -0.08 -2.32 0.15 0.00 0.00 0.00 0.00 23.12 20.87 1s21 s ALA 95 CO 0.20 0.34 0.50 -0.51 0.00 0.00 0.00 175.76 176.29 1s21 s LEU 96 N -0.41 5.98 0.00 0.00 1.43 0.90 -4.28 118.68 122.30 1s21 s LEU 96 Ca 0.20 -2.24 0.12 0.00 -1.03 0.00 0.00 54.13 51.18 1s21 s LEU 96 Cb -0.14 -2.07 0.67 0.00 0.03 0.00 0.00 46.19 44.67 1s21 s LEU 96 CO 0.08 -0.64 1.26 0.00 0.23 0.00 0.00 176.35 177.28 1s21 n HIS 97 N 4.50 0.00 0.78 0.29 1.44 -1.26 -1.64 115.22 119.33 1s21 n HIS 97 Ca -0.01 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.80 1s21 n HIS 97 Cb 0.42 -0.18 0.10 0.00 0.12 0.00 0.00 29.99 30.44 1s21 n HIS 97 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1s21 n GLU 98 N -1.18 1.90 -4.46 -1.40 1.02 -1.26 -4.79 120.64 110.46 1s21 n GLU 98 Ca 0.07 -1.77 -0.27 0.00 -0.02 0.00 0.00 57.16 55.17 1s21 n GLU 98 Cb 0.08 -1.40 -0.13 0.00 -0.02 0.00 0.00 31.44 29.97 1s21 n GLU 98 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1s21 s GLU 99 N -1.66 1.37 0.21 3.49 2.02 -0.65 -1.77 118.70 121.70 1s21 s GLU 99 Ca 0.25 -1.21 0.09 0.00 0.02 0.00 0.00 54.97 54.12 1s21 s GLU 99 Cb 0.17 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.65 1s21 s GLU 99 CO 0.26 0.41 -0.05 -0.51 0.02 0.00 0.00 175.26 175.39 1s21 s LEU 100 N -1.79 3.11 -0.17 1.80 1.43 0.29 -2.23 118.68 121.11 1s21 s LEU 100 Ca 0.11 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 1s21 s LEU 100 Cb -0.10 -1.73 0.05 0.00 0.03 0.00 0.00 46.19 44.43 1s21 s LEU 100 CO 0.04 0.07 0.47 -1.58 0.23 0.00 0.00 176.35 175.58 1s21 s GLN 101 N -3.11 0.56 0.22 1.70 0.74 -0.64 -4.50 119.66 114.63 1s21 s GLN 101 Ca 0.27 0.62 -0.32 0.00 0.05 0.00 0.00 55.36 55.99 1s21 s GLN 101 Cb -0.08 0.27 -0.14 0.00 1.10 0.00 0.00 33.01 34.16 1s21 s GLN 101 CO 0.17 -0.07 1.36 -1.91 -0.55 0.00 0.00 175.29 174.29 1s21 n GLU 102 N 2.74 1.83 -2.37 1.67 2.13 -1.26 -0.44 120.64 124.95 1s21 n GLU 102 Ca -0.14 0.65 -0.38 0.00 0.66 0.00 0.00 57.16 57.95 1s21 n GLU 102 Cb 0.57 -2.28 -0.03 0.00 0.27 0.00 0.00 31.44 29.97 1s21 n GLU 102 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1s21 s SER 103 N 0.26 6.69 0.00 4.31 0.15 -0.18 -4.59 113.70 120.33 1s21 s SER 103 Ca 0.70 2.27 0.12 0.00 0.70 0.00 0.00 55.95 59.74 1s21 s SER 103 Cb -0.70 -2.61 0.57 0.00 -1.71 0.00 0.00 66.02 61.57 1s21 s SER 103 CO 0.50 -0.55 1.30 -0.81 1.20 0.00 0.00 173.24 174.87 1s21 n PRO 104 N 0.22 0.13 0.00 5.44 -0.04 -1.26 -2.14 135.00 137.35 1s21 n PRO 104 Ca 0.04 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.76 1s21 n PRO 104 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1s21 n PRO 104 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s21 n TYR 105 N -1.34 0.00 -0.22 0.54 4.02 -1.26 -4.63 117.16 114.28 1s21 n TYR 105 Ca 0.05 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.96 1s21 n TYR 105 Cb 0.10 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.56 1s21 n TYR 105 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s21 h ALA 106 N 2.01 0.81 0.00 -0.72 0.00 -1.69 0.56 119.26 120.22 1s21 h ALA 106 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1s21 h ALA 106 Cb 0.40 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s21 h ALA 106 CO 0.00 -0.30 -0.01 1.96 0.00 0.00 0.00 179.25 180.90 1s21 h GLN 107 N 0.29 0.00 0.02 0.00 4.20 -1.80 -3.09 115.11 114.72 1s21 h GLN 107 Ca 0.35 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.84 1s21 h GLN 107 Cb 0.54 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1s21 h GLN 107 CO -0.43 0.01 -0.96 0.45 -0.67 0.00 0.00 178.83 177.23 1s21 h HIS 108 N 0.00 0.49 -4.84 2.96 3.86 -1.10 -3.08 115.15 113.44 1s21 h HIS 108 Ca -0.00 -0.28 -0.20 0.00 -1.16 0.00 0.00 60.37 58.73 1s21 h HIS 108 Cb 0.74 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.16 1s21 h HIS 108 CO 0.00 1.11 -0.07 0.44 0.86 0.00 0.00 177.93 180.27 1s21 n ILE 109 N -3.68 0.00 -1.31 2.45 -5.35 -0.60 -4.82 119.36 106.05 1s21 n ILE 109 Ca -0.06 -0.79 -0.25 0.00 -0.27 0.00 0.00 62.75 61.38 1s21 n ILE 109 Cb 0.85 -0.56 0.15 0.00 -1.74 0.00 0.00 39.64 38.35 1s21 n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s21 n GLY 110 N 2.38 4.98 3.70 3.28 0.00 -1.26 -4.44 105.19 113.82 1s21 n GLY 110 Ca 0.03 -1.48 -0.59 0.00 0.00 0.00 0.00 46.02 43.97 1s21 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s21 n ALA 111 N -1.07 -0.62 -1.80 4.61 0.00 -1.22 -4.92 120.51 115.49 1s21 n ALA 111 Ca 0.58 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 54.04 1s21 n ALA 111 Cb 1.31 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1s21 n ALA 111 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1s21 s ARG 112 N 2.99 4.57 0.00 0.00 0.52 -1.26 -4.90 118.95 120.87 1s21 s ARG 112 Ca 0.98 1.88 0.05 0.00 -0.52 0.00 0.00 55.73 58.13 1s21 s ARG 112 Cb -1.15 -3.18 0.26 0.00 0.52 0.00 0.00 34.95 31.41 1s21 s ARG 112 CO 0.66 0.10 1.01 -0.35 0.02 0.00 0.00 175.30 176.75 1s21 n PRO 113 N 1.30 0.07 -0.30 3.54 -0.04 -1.26 -1.56 135.00 136.75 1s21 n PRO 113 Ca -0.00 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 63.77 1s21 n PRO 113 Cb 0.44 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.61 1s21 n PRO 113 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1s21 n ASP 114 N -1.29 3.41 -4.51 3.54 5.75 -1.26 -4.73 116.55 117.45 1s21 n ASP 114 Ca 0.02 -2.29 -0.30 0.00 -0.01 0.00 0.00 54.79 52.21 1s21 n ASP 114 Cb 0.04 -0.36 -0.11 0.00 -1.03 0.00 0.00 41.12 39.66 1s21 n ASP 114 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1s21 s GLN 115 N -1.52 2.06 0.28 0.11 -0.21 -0.60 -4.73 119.66 115.04 1s21 s GLN 115 Ca 0.32 -1.02 0.01 0.00 0.02 0.00 0.00 55.36 54.70 1s21 s GLN 115 Cb 0.20 -2.23 0.55 0.00 1.00 0.00 0.00 33.01 32.54 1s21 s GLN 115 CO 0.16 0.52 1.84 0.00 -2.12 0.00 0.00 175.29 175.69 1s21 h ALA 116 N 4.10 1.52 0.00 6.09 0.00 -1.87 -2.04 119.26 127.07 1s21 h ALA 116 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1s21 h ALA 116 Cb 1.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1s21 h ALA 116 CO 0.49 0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 1s21 n ASP 117 N -4.61 0.00 0.05 0.00 5.68 -1.26 -1.61 116.55 114.79 1s21 n ASP 117 Ca 0.19 0.32 0.13 0.00 -0.50 0.00 0.00 54.79 54.92 1s21 n ASP 117 Cb 0.35 -0.40 0.31 0.00 -1.14 0.00 0.00 41.12 40.24 1s21 n ASP 117 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s21 n ALA 118 N -1.40 2.83 -2.49 2.12 0.00 -0.76 -4.75 120.51 116.06 1s21 n ALA 118 Ca 0.04 -0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 1s21 n ALA 118 Cb 0.11 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 1s21 n ALA 118 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1s21 s TYR 119 N -3.09 2.17 0.08 0.00 1.51 -0.64 -1.01 117.35 116.37 1s21 s TYR 119 Ca 0.09 -0.67 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1s21 s TYR 119 Cb 0.15 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1s21 s TYR 119 CO 0.66 0.35 -0.07 1.03 -1.11 0.00 0.00 175.55 176.41 1s21 s ARG 120 N -3.71 0.73 0.61 -0.62 1.81 0.42 -4.63 118.95 113.56 1s21 s ARG 120 Ca 0.32 -1.14 -0.19 0.00 -1.72 0.00 0.00 55.73 53.00 1s21 s ARG 120 Cb 0.05 -0.24 -0.03 0.00 -0.45 0.00 0.00 34.95 34.28 1s21 s ARG 120 CO 0.15 0.01 1.25 -1.25 -0.68 0.00 0.00 175.30 174.77 1s21 s PRO 121 N -3.08 2.86 0.63 3.54 0.04 -1.26 -1.62 135.00 136.11 1s21 s PRO 121 Ca 0.05 1.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 1s21 s PRO 121 Cb 0.00 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1s21 s PRO 121 CO -0.03 -1.32 1.04 0.50 0.04 0.00 0.00 177.00 177.22 1s21 s ARG 122 N -3.31 3.49 0.22 4.56 3.52 -0.95 -4.70 118.95 121.79 1s21 s ARG 122 Ca 0.79 0.73 0.10 0.00 -0.13 0.00 0.00 55.73 57.22 1s21 s ARG 122 Cb -0.33 -2.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.94 1s21 s ARG 122 CO 0.36 -0.64 -0.20 0.95 -0.81 0.00 0.00 175.30 174.96 1s21 s THR 123 N -3.19 2.19 0.23 4.11 -4.23 -1.26 -0.07 115.64 113.42 1s21 s THR 123 Ca 0.55 -2.16 -0.17 0.00 -1.18 0.00 0.00 61.69 58.73 1s21 s THR 123 Cb -0.11 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.64 1s21 s THR 123 CO 0.54 -0.33 0.57 0.00 -0.54 0.00 0.00 174.62 174.86 1s21 s ALA 124 N -2.23 -0.83 0.22 3.99 0.00 -0.10 -4.93 121.76 117.87 1s21 s ALA 124 Ca 0.23 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 1s21 s ALA 124 Cb -0.05 0.91 -0.08 0.00 0.00 0.00 0.00 23.12 23.90 1s21 s ALA 124 CO 0.10 -0.89 1.04 -1.58 0.00 0.00 0.00 175.76 174.44 1s21 s HIS 125 N -3.93 3.73 0.58 0.00 2.46 -1.26 -0.64 115.29 116.23 1s21 s HIS 125 Ca 0.13 1.75 0.27 0.00 0.47 0.00 0.00 55.06 57.68 1s21 s HIS 125 Cb -0.02 -3.16 1.61 0.00 -0.13 0.00 0.00 32.58 30.87 1s21 s HIS 125 CO 0.03 -0.18 2.11 -0.24 -2.47 0.00 0.00 174.74 173.99 1s21 h VAL 126 N 3.42 0.55 0.00 0.89 3.04 -1.18 -1.09 116.25 121.89 1s21 h VAL 126 Ca -0.45 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1s21 h VAL 126 Cb 1.21 0.86 -0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1s21 h VAL 126 CO 0.70 0.00 -0.01 0.77 -1.01 0.00 0.00 177.57 178.02 1s21 h SER 127 N 0.00 0.00 0.29 3.17 4.64 -1.82 -1.61 113.55 118.21 1s21 h SER 127 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1s21 h SER 127 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1s21 h SER 127 CO -0.00 0.01 0.00 0.77 -0.87 0.00 0.00 176.83 176.74 1s21 h SER 128 N 0.00 0.00 1.46 4.97 4.64 -1.58 -1.78 113.55 121.26 1s21 h SER 128 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s21 h SER 128 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1s21 h SER 128 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1s21 n LEU 129 N -2.93 0.84 -3.98 5.97 4.77 -0.61 -4.94 117.00 116.12 1s21 n LEU 129 Ca -0.02 0.58 -0.26 0.00 -0.03 0.00 0.00 56.01 56.28 1s21 n LEU 129 Cb 0.13 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1s21 n LEU 129 CO 0.20 -0.20 -0.21 0.59 -1.33 0.00 0.00 177.39 176.44 1s21 n ASN 130 N -2.29 -0.65 -3.66 -1.43 3.02 -0.67 -4.96 115.26 104.62 1s21 n ASN 130 Ca 0.05 -1.01 -0.12 0.00 -0.03 0.00 0.00 54.58 53.48 1s21 n ASN 130 Cb 0.43 -3.03 -0.08 0.00 -0.61 0.00 0.00 39.78 36.49 1s21 n ASN 130 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1s21 s THR 131 N -3.89 -0.00 0.85 3.41 2.01 -1.26 -5.02 115.64 111.73 1s21 s THR 131 Ca 0.08 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 1s21 s THR 131 Cb -0.05 -0.86 0.11 0.00 0.01 0.00 0.00 72.50 71.71 1s21 s THR 131 CO 0.89 0.00 1.15 -2.16 -0.69 0.00 0.00 174.62 173.82 1s21 s PRO 132 N 0.78 1.48 0.33 4.92 0.04 -1.26 -4.86 135.00 136.43 1s21 s PRO 132 Ca -0.04 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 1s21 s PRO 132 Cb -0.05 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1s21 s PRO 132 CO -0.06 -2.28 0.64 -1.54 0.04 0.00 0.00 177.00 173.79 1s21 s SER 133 N -2.65 0.15 -0.01 6.66 1.04 -0.92 -1.60 113.70 116.37 1s21 s SER 133 Ca 0.68 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 56.03 1s21 s SER 133 Cb -0.23 0.73 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1s21 s SER 133 CO 0.55 -1.42 -0.03 -0.76 0.98 0.00 0.00 173.24 172.55 1s21 s LEU 134 N -3.07 1.78 -0.22 2.42 1.02 -0.40 0.10 118.68 120.31 1s21 s LEU 134 Ca 0.20 -0.07 -0.18 0.00 0.02 0.00 0.00 54.13 54.09 1s21 s LEU 134 Cb -0.03 -0.24 -0.03 0.00 0.02 0.00 0.00 46.19 45.91 1s21 s LEU 134 CO 0.12 0.01 0.52 0.54 0.02 0.00 0.00 176.35 177.57 1s21 s ASN 135 N 0.21 6.52 0.22 2.29 4.22 -1.26 -1.56 114.94 125.59 1s21 s ASN 135 Ca -0.02 0.63 0.03 0.00 -2.14 0.00 0.00 52.86 51.36 1s21 s ASN 135 Cb -0.05 -2.29 -0.05 0.00 1.28 0.00 0.00 41.25 40.14 1s21 s ASN 135 CO -0.00 -0.22 0.01 0.68 -2.04 0.00 0.00 177.10 175.52 1s21 s VAL 136 N 1.89 0.93 0.03 3.54 -7.23 -0.11 -4.70 120.40 114.74 1s21 s VAL 136 Ca 0.23 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.45 1s21 s VAL 136 Cb -0.15 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 1s21 s VAL 136 CO 0.09 -0.31 -0.19 -0.04 -0.31 0.00 0.00 175.10 174.34 1s21 s MET 137 N -3.89 2.09 0.04 4.82 -1.94 0.13 -0.41 119.30 120.14 1s21 s MET 137 Ca 0.29 -0.96 0.01 0.00 -1.71 0.00 0.00 55.69 53.31 1s21 s MET 137 Cb 0.06 -2.18 -0.03 0.00 2.01 0.00 0.00 34.83 34.70 1s21 s MET 137 CO 0.08 0.55 -0.06 0.00 -0.01 0.00 0.00 175.02 175.59 1s21 s ALA 138 N -0.87 0.49 0.00 3.03 0.00 -0.62 -0.65 121.76 123.13 1s21 s ALA 138 Ca 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1s21 s ALA 138 Cb -0.10 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1s21 s ALA 138 CO 0.04 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1s21 n GLY 139 N 1.11 3.11 0.23 0.00 0.00 -1.26 -0.82 105.19 107.55 1s21 n GLY 139 Ca -0.20 -1.99 0.06 0.00 0.00 0.00 0.00 46.02 43.88 1s21 n GLY 139 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1s21 h GLN 140 N 0.00 0.00 -0.31 1.61 5.75 -1.81 -1.70 115.11 118.65 1s21 h GLN 140 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1s21 h GLN 140 Cb 0.00 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1s21 h GLN 140 CO 0.00 0.15 0.00 0.41 -2.65 0.00 0.00 178.83 176.74 1s21 n GLY 141 N -1.12 0.77 0.29 2.39 0.00 0.96 -4.49 105.19 103.99 1s21 n GLY 141 Ca -0.03 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 1s21 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s21 h ALA 142 N 3.99 -1.17 -0.77 4.61 0.00 -1.43 -0.81 119.26 123.69 1s21 h ALA 142 Ca 0.00 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.93 1s21 h ALA 142 Cb 0.58 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 18.53 1s21 h ALA 142 CO 0.00 -1.11 0.05 1.25 0.00 0.00 0.00 179.25 179.44 1s21 h LEU 143 N -0.76 -0.27 0.67 0.00 6.46 -1.79 -1.71 115.31 117.92 1s21 h LEU 143 Ca -0.08 0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1s21 h LEU 143 Cb 0.57 0.32 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1s21 h LEU 143 CO 0.12 -0.17 -0.34 0.28 -0.62 0.00 0.00 178.44 177.72 1s21 h SER 144 N 0.13 -0.81 -0.84 1.25 0.02 -1.83 -3.03 113.55 108.44 1s21 h SER 144 Ca 0.43 0.03 0.26 0.00 -0.84 0.00 0.00 61.79 61.68 1s21 h SER 144 Cb 0.78 0.22 -0.16 0.00 0.14 0.00 0.00 62.40 63.38 1s21 h SER 144 CO -0.65 -0.56 0.12 0.00 -1.14 0.00 0.00 176.83 174.60 1s21 n ALA 145 N -2.48 0.53 -1.02 3.77 0.00 -0.31 -5.17 120.51 115.83 1s21 n ALA 145 Ca -0.11 0.89 -0.04 0.00 0.00 0.00 0.00 53.44 54.18 1s21 n ALA 145 Cb 0.37 -0.71 0.05 0.00 0.00 0.00 0.00 19.45 19.16 1s21 n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s21 n LEU 146 N -5.14 0.00 -0.88 0.00 4.77 -0.83 -5.04 117.00 109.87 1s21 n LEU 146 Ca 0.23 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1s21 n LEU 146 Cb 0.75 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1s21 n LEU 146 CO -0.05 -1.24 -0.27 1.57 -1.33 0.00 0.00 177.39 176.08 1s21 n HIS 154 N -2.99 -2.41 -4.24 -1.77 -0.00 -1.26 -5.13 115.22 97.42 1s21 n HIS 154 Ca 0.03 1.30 -0.19 0.00 0.46 0.00 0.00 57.72 59.33 1s21 n HIS 154 Cb 0.12 -2.27 -0.11 0.00 -0.12 0.00 0.00 29.99 27.61 1s21 n HIS 154 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1s21 s VAL 155 N -4.48 1.36 -0.23 3.57 -7.23 0.82 -4.95 120.40 109.26 1s21 s VAL 155 Ca 0.00 -1.68 -0.12 0.00 -1.81 0.00 0.00 61.98 58.37 1s21 s VAL 155 Cb 0.00 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 1s21 s VAL 155 CO 0.00 -0.37 0.24 -0.89 -0.31 0.00 0.00 175.10 173.77 1s21 s THR 156 N -1.99 5.30 0.19 5.32 2.01 -1.26 -1.23 115.64 123.97 1s21 s THR 156 Ca 0.08 0.35 0.08 0.00 0.31 0.00 0.00 61.69 62.51 1s21 s THR 156 Cb -0.06 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1s21 s THR 156 CO 0.03 0.31 -0.01 0.42 -0.69 0.00 0.00 174.62 174.68 1s21 s THR 157 N 1.21 3.62 0.02 -0.82 -4.23 -0.30 -0.60 115.64 114.54 1s21 s THR 157 Ca 0.11 -1.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.18 1s21 s THR 157 Cb -0.14 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.84 1s21 s THR 157 CO 0.06 -0.15 -0.23 -0.70 -0.54 0.00 0.00 174.62 173.06 1s21 s GLU 158 N -3.04 1.70 0.05 3.99 2.12 -0.19 -2.61 118.70 120.73 1s21 s GLU 158 Ca 0.28 -0.94 -0.03 0.00 0.36 0.00 0.00 54.97 54.64 1s21 s GLU 158 Cb -0.09 -1.76 -0.03 0.00 0.26 0.00 0.00 34.13 32.51 1s21 s GLU 158 CO 0.18 0.47 0.02 -1.64 -0.54 0.00 0.00 175.26 173.75 1s21 s MET 159 N -0.94 0.59 -0.28 4.30 -1.94 0.23 -1.59 119.30 119.67 1s21 s MET 159 Ca 0.09 -1.00 -0.18 0.00 -1.71 0.00 0.00 55.69 52.90 1s21 s MET 159 Cb -0.09 0.22 -0.02 0.00 2.01 0.00 0.00 34.83 36.94 1s21 s MET 159 CO 0.01 -0.13 0.50 0.50 -0.01 0.00 0.00 175.02 175.89 1s21 s ARG 160 N -3.26 3.96 0.31 2.03 3.52 -1.26 -0.84 118.95 123.40 1s21 s ARG 160 Ca 0.01 0.18 0.05 0.00 -0.13 0.00 0.00 55.73 55.83 1s21 s ARG 160 Cb 0.03 -3.69 0.68 0.00 -1.56 0.00 0.00 34.95 30.41 1s21 s ARG 160 CO -0.08 -0.41 1.84 1.25 -0.81 0.00 0.00 175.30 177.09 1s21 h LEU 161 N 8.84 0.81 -2.05 -0.88 5.85 -1.00 -0.25 115.31 126.63 1s21 h LEU 161 Ca -0.29 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1s21 h LEU 161 Cb 1.14 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1s21 h LEU 161 CO 0.72 0.40 0.19 1.23 -0.34 0.00 0.00 178.44 180.64 1s21 h GLY 162 N 0.86 0.00 2.00 3.75 0.00 -0.93 -0.58 103.07 108.16 1s21 h GLY 162 Ca 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1s21 h GLY 162 CO -0.26 0.00 -0.25 -0.55 0.00 0.00 0.00 176.54 175.47 1s21 h ASP 163 N 0.00 0.00 0.00 0.19 3.32 -1.27 0.28 116.42 118.94 1s21 h ASP 163 Ca 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1s21 h ASP 163 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1s21 h ASP 163 CO -0.00 0.25 -0.01 -0.26 -1.72 0.00 0.00 179.24 177.50 1s21 h PHE 164 N 0.00 0.01 -0.58 4.55 -1.00 -1.20 -3.32 116.94 115.39 1s21 h PHE 164 Ca -0.00 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.82 1s21 h PHE 164 Cb 0.54 -0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.05 1s21 h PHE 164 CO 0.00 0.87 0.31 -0.07 -1.61 0.00 0.00 178.31 177.81 1s21 h LEU 165 N -0.86 0.46 -2.63 1.54 3.38 -1.12 -0.19 115.31 115.90 1s21 h LEU 165 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s21 h LEU 165 Cb 0.87 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1s21 h LEU 165 CO 0.00 0.31 0.02 0.44 0.09 0.00 0.00 178.44 179.31 1s21 h ASP 166 N 0.60 0.00 -0.39 -0.43 3.32 -0.57 -1.78 116.42 117.16 1s21 h ASP 166 Ca 0.26 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 1s21 h ASP 166 Cb 0.15 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 1s21 h ASP 166 CO -0.16 0.00 0.03 0.00 -1.72 0.00 0.00 179.24 177.39 1s21 n GLN 167 N -2.91 2.43 -0.88 3.56 6.02 -0.56 -4.93 117.38 120.10 1s21 n GLN 167 Ca -0.03 -3.03 0.00 0.00 -0.01 0.00 0.00 57.00 53.93 1s21 n GLN 167 Cb 0.09 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 29.46 1s21 n GLN 167 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s21 n GLY 168 N -0.82 0.51 3.80 1.08 0.00 -0.67 -4.57 105.19 104.53 1s21 n GLY 168 Ca 0.31 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1s21 n GLY 168 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s21 s GLY 169 N -2.36 2.51 0.13 -0.02 0.00 -0.19 -4.82 107.32 102.56 1s21 s GLY 169 Ca 0.00 0.56 0.09 0.00 0.00 0.00 0.00 44.72 45.37 1s21 s GLY 169 CO 0.00 0.88 -0.22 0.54 0.00 0.00 0.00 173.10 174.30 1s21 s LYS 170 N -3.10 1.25 -0.16 2.90 1.02 -1.25 -4.37 119.74 116.03 1s21 s LYS 170 Ca 0.64 -1.28 -0.04 0.00 0.02 0.00 0.00 55.97 55.31 1s21 s LYS 170 Cb -0.15 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.58 1s21 s LYS 170 CO 0.19 0.35 -0.03 0.08 -0.92 0.00 0.00 175.35 175.02 1s21 s VAL 171 N -1.32 3.99 0.05 3.17 1.01 -1.26 -1.11 120.40 124.92 1s21 s VAL 171 Ca 0.11 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1s21 s VAL 171 Cb -0.09 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1s21 s VAL 171 CO 0.06 0.49 -0.13 -0.31 0.00 0.00 0.00 175.10 175.20 1s21 s TYR 172 N 0.32 1.17 0.20 5.22 1.51 0.29 -4.77 117.35 121.30 1s21 s TYR 172 Ca -0.03 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.35 1s21 s TYR 172 Cb -0.14 -0.68 -0.08 0.00 -0.11 0.00 0.00 41.96 40.95 1s21 s TYR 172 CO 0.03 0.03 1.13 -1.12 -1.11 0.00 0.00 175.55 174.51 1s21 s SER 173 N -1.30 7.21 -0.35 2.29 0.01 -1.26 -0.11 113.70 120.18 1s21 s SER 173 Ca -0.00 2.17 -0.20 0.00 1.31 0.00 0.00 55.95 59.23 1s21 s SER 173 Cb -0.08 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1s21 s SER 173 CO 0.01 -0.25 0.64 -0.62 0.41 0.00 0.00 173.24 173.43 1s21 s ASP 174 N -0.18 6.43 0.00 2.44 -1.08 -0.21 -1.95 116.67 122.12 1s21 s ASP 174 Ca 0.49 0.16 0.23 0.00 -0.52 0.00 0.00 52.55 52.91 1s21 s ASP 174 Cb -0.31 -2.33 0.47 0.00 -1.46 0.00 0.00 42.92 39.30 1s21 s ASP 174 CO 0.37 -0.59 1.42 0.35 0.52 0.00 0.00 175.17 177.24 1s21 n THR 175 N 5.58 0.64 -0.02 1.71 -2.24 -0.23 -4.72 114.28 115.00 1s21 n THR 175 Ca -0.01 -0.82 -0.09 0.00 -2.27 0.00 0.00 64.05 60.86 1s21 n THR 175 Cb 0.49 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 1s21 n THR 175 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s21 h SER 176 N 4.33 -0.39 -0.74 3.42 0.02 -1.89 -3.47 113.55 114.84 1s21 h SER 176 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1s21 h SER 176 Cb 0.98 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1s21 h SER 176 CO 0.00 -0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.14 1s21 n GLY 181 N -1.27 -1.69 0.00 -3.77 0.00 -1.26 -5.13 105.19 92.07 1s21 n GLY 181 Ca -0.03 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1s21 n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s21 n GLY 182 N 3.55 0.83 3.95 -0.02 0.00 -1.26 -4.98 105.19 107.26 1s21 n GLY 182 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1s21 n GLY 182 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s21 s ASP 183 N -1.00 6.34 -0.98 1.61 2.15 -1.26 -4.36 116.67 119.17 1s21 s ASP 183 Ca 0.00 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.17 1s21 s ASP 183 Cb 0.00 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.70 1s21 s ASP 183 CO 0.00 -0.01 0.00 -1.20 -0.17 0.00 0.00 175.17 173.79 1s21 n SER 184 N -0.83 -3.83 -3.70 -0.34 7.64 -1.26 -4.59 113.62 106.71 1s21 n SER 184 Ca -0.07 0.13 -0.11 0.00 1.01 0.00 0.00 58.87 59.83 1s21 n SER 184 Cb 0.55 -2.63 -0.11 0.00 -1.01 0.00 0.00 64.21 61.01 1s21 n SER 184 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1s21 s VAL 185 N -2.44 -0.02 -0.01 0.44 0.11 -1.26 -0.03 120.40 117.20 1s21 s VAL 185 Ca 0.00 0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 1s21 s VAL 185 Cb 0.00 -0.61 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1s21 s VAL 185 CO 0.00 0.03 -0.15 -1.83 -3.33 0.00 0.00 175.10 169.82 1s21 s GLU 186 N 1.11 1.19 -0.10 1.54 1.03 -0.00 -4.72 118.70 118.75 1s21 s GLU 186 Ca -0.07 -0.54 -0.20 0.00 0.03 0.00 0.00 54.97 54.18 1s21 s GLU 186 Cb -0.07 -1.16 -0.04 0.00 -0.80 0.00 0.00 34.13 32.06 1s21 s GLU 186 CO -0.09 0.32 0.58 0.00 -1.33 0.00 0.00 175.26 174.73 1s21 s ALA 187 N -0.37 3.42 0.15 -0.84 0.00 -1.26 -1.60 121.76 121.26 1s21 s ALA 187 Ca 0.06 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1s21 s ALA 187 Cb -0.06 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1s21 s ALA 187 CO -0.00 -0.06 -0.12 -0.51 0.00 0.00 0.00 175.76 175.06 1s21 s LEU 188 N 0.74 2.49 -0.13 0.00 1.43 0.45 -1.04 118.68 122.63 1s21 s LEU 188 Ca 0.31 -0.94 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1s21 s LEU 188 Cb -0.16 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.57 1s21 s LEU 188 CO 0.14 -0.23 -0.22 -0.63 0.23 0.00 0.00 176.35 175.64 1s21 s ILE 189 N -2.84 2.01 -0.10 -0.59 -1.09 0.84 -0.93 121.20 118.50 1s21 s ILE 189 Ca 0.15 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1s21 s ILE 189 Cb -0.01 -1.77 0.01 0.00 -1.58 0.00 0.00 42.46 39.11 1s21 s ILE 189 CO 0.03 0.54 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.43 1s21 s VAL 190 N 0.70 1.58 0.54 2.92 1.01 -0.60 -0.54 120.40 126.00 1s21 s VAL 190 Ca -0.10 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1s21 s VAL 190 Cb -0.16 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 1s21 s VAL 190 CO 0.01 0.46 1.00 0.42 0.00 0.00 0.00 175.10 176.98 1s21 s THR 191 N 0.81 4.47 -0.33 3.92 -4.23 -0.27 -1.27 115.64 118.74 1s21 s THR 191 Ca -0.10 1.13 0.02 0.00 -1.18 0.00 0.00 61.69 61.56 1s21 s THR 191 Cb -0.16 -3.70 0.15 0.00 1.34 0.00 0.00 72.50 70.14 1s21 s THR 191 CO 0.01 -0.73 0.36 -0.22 -0.54 0.00 0.00 174.62 173.50 1s21 s LEU 192 N -4.27 -0.28 0.30 4.79 2.96 -0.63 -3.88 118.68 117.67 1s21 s LEU 192 Ca 0.59 -1.09 -0.20 0.00 -0.22 0.00 0.00 54.13 53.21 1s21 s LEU 192 Cb -0.11 0.67 -0.14 0.00 0.50 0.00 0.00 46.19 47.11 1s21 s LEU 192 CO 0.35 -0.32 0.19 -2.65 -1.32 0.00 0.00 176.35 172.61 1s21 n PRO 193 N 4.79 0.00 -1.54 0.98 -0.02 -1.26 -4.25 135.00 133.70 1s21 n PRO 193 Ca 0.05 0.00 -0.49 0.00 -2.02 0.00 0.00 63.50 61.04 1s21 n PRO 193 Cb 0.47 -0.87 -0.04 0.00 -0.02 0.00 0.00 33.50 33.04 1s21 n PRO 193 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1s21 n LYS 194 N 1.07 0.89 -0.99 -0.52 4.76 -1.26 -0.98 118.16 121.14 1s21 n LYS 194 Ca 0.12 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 1s21 n LYS 194 Cb 0.31 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1s21 n LYS 194 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s21 n GLY 195 N 1.83 0.96 3.85 0.72 0.00 -1.26 -5.02 105.19 106.28 1s21 n GLY 195 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1s21 n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s21 s ARG 196 N -0.02 3.12 0.15 1.61 1.81 -0.15 -5.12 118.95 120.35 1s21 s ARG 196 Ca 0.00 -0.71 -0.04 0.00 -1.72 0.00 0.00 55.73 53.26 1s21 s ARG 196 Cb 0.00 -2.80 -0.03 0.00 -0.45 0.00 0.00 34.95 31.67 1s21 s ARG 196 CO 0.00 0.52 0.15 -1.59 -0.68 0.00 0.00 175.30 173.70 1s21 s LYS 197 N -2.95 1.05 0.01 3.54 -2.85 -1.26 -4.31 119.74 112.97 1s21 s LYS 197 Ca 0.32 -1.38 0.01 0.00 -1.00 0.00 0.00 55.97 53.92 1s21 s LYS 197 Cb -0.11 0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 35.94 1s21 s LYS 197 CO 0.25 -0.34 -0.05 0.14 0.10 0.00 0.00 175.35 175.46 1s21 s VAL 198 N -4.04 0.34 0.58 1.79 -7.23 -0.69 -4.94 120.40 106.21 1s21 s VAL 198 Ca 0.24 -0.49 -0.18 0.00 -1.81 0.00 0.00 61.98 59.74 1s21 s VAL 198 Cb 0.06 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.61 1s21 s VAL 198 CO 0.03 -0.10 1.11 -2.16 -0.31 0.00 0.00 175.10 173.67 1s21 s PRO 199 N -0.63 3.21 0.06 4.82 0.04 -1.26 -0.92 135.00 140.32 1s21 s PRO 199 Ca -0.03 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1s21 s PRO 199 Cb -0.05 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1s21 s PRO 199 CO -0.00 -0.94 -0.05 0.14 0.04 0.00 0.00 177.00 176.19 1s21 s VAL 200 N -1.99 0.44 -0.13 -0.36 -7.23 -0.42 -4.57 120.40 106.14 1s21 s VAL 200 Ca 0.70 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 1s21 s VAL 200 Cb -0.22 -1.32 0.01 0.00 0.56 0.00 0.00 36.38 35.41 1s21 s VAL 200 CO 0.31 -0.81 -0.20 0.20 -0.31 0.00 0.00 175.10 174.29 1s21 s ASN 201 N -2.63 2.95 -0.14 4.85 0.01 -0.62 -4.80 114.94 114.56 1s21 s ASN 201 Ca 0.04 -0.56 -0.28 0.00 -0.71 0.00 0.00 52.86 51.35 1s21 s ASN 201 Cb 0.03 -1.36 -0.01 0.00 0.41 0.00 0.00 41.25 40.32 1s21 s ASN 201 CO -0.06 0.06 0.95 -0.63 -1.51 0.00 0.00 177.10 175.92 1s21 s ILE 202 N 0.87 4.80 -0.15 0.60 1.01 -1.26 -1.02 121.20 126.05 1s21 s ILE 202 Ca -0.07 1.90 0.18 0.00 0.00 0.00 0.00 60.65 62.66 1s21 s ILE 202 Cb -0.15 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 1s21 s ILE 202 CO -0.02 -0.01 0.94 -0.07 0.00 0.00 0.00 174.94 175.77 1s21 h LEU 203 N 8.30 0.00 -0.71 2.97 3.38 -1.22 -3.49 115.31 124.53 1s21 h LEU 203 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1s21 h LEU 203 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1s21 h LEU 203 CO 0.87 0.43 0.00 -0.90 0.09 0.00 0.00 178.44 178.93