#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr6 s SER 2 N 0.00 0.82 0.84 1.61 1.04 -1.26 -5.15 113.70 111.60 2cr6 s SER 2 Ca 0.00 0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.59 2cr6 s SER 2 Cb 0.00 0.39 0.10 0.00 0.10 0.00 0.00 66.02 66.61 2cr6 s SER 2 CO 0.00 -0.26 1.10 -0.44 0.98 0.00 0.00 173.24 174.62 2cr6 s SER 3 N 2.33 3.82 0.00 7.02 0.01 -1.26 -5.06 113.70 120.55 2cr6 s SER 3 Ca 0.03 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.14 2cr6 s SER 3 Cb -0.13 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2cr6 s SER 3 CO -0.08 -2.48 0.00 0.61 0.41 0.00 0.00 173.24 171.71 2cr6 n GLY 4 N -0.78 4.24 3.17 3.44 0.00 -1.26 -5.17 105.19 108.83 2cr6 n GLY 4 Ca 0.09 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 2cr6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr6 s SER 5 N -0.86 -0.36 0.64 1.61 0.15 -1.26 -5.17 113.70 108.45 2cr6 s SER 5 Ca 0.00 0.67 -0.01 0.00 0.70 0.00 0.00 55.95 57.31 2cr6 s SER 5 Cb 0.00 0.60 0.09 0.00 -1.71 0.00 0.00 66.02 65.01 2cr6 s SER 5 CO 0.00 -0.15 0.64 -1.20 1.20 0.00 0.00 173.24 173.74 2cr6 n SER 6 N 3.66 0.78 -3.64 5.45 7.64 -1.26 -5.13 113.62 121.13 2cr6 n SER 6 Ca -0.19 -1.68 -0.09 0.00 1.01 0.00 0.00 58.87 57.92 2cr6 n SER 6 Cb 0.56 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 63.26 2cr6 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cr6 s GLY 7 N -4.15 -0.31 -0.03 0.23 0.00 -1.26 -5.17 107.32 96.62 2cr6 s GLY 7 Ca 0.42 2.56 -0.15 0.00 0.00 0.00 0.00 44.72 47.54 2cr6 s GLY 7 CO 0.28 2.07 0.34 1.08 0.00 0.00 0.00 173.10 176.86 2cr6 s LEU 8 N 0.74 0.74 -0.14 0.66 1.02 -1.26 -5.17 118.68 115.27 2cr6 s LEU 8 Ca -0.02 0.22 -0.30 0.00 0.02 0.00 0.00 54.13 54.04 2cr6 s LEU 8 Cb -0.05 1.33 0.12 0.00 0.02 0.00 0.00 46.19 47.61 2cr6 s LEU 8 CO -0.09 -0.41 0.97 0.54 0.02 0.00 0.00 176.35 177.39 2cr6 s VAL 9 N -1.08 0.00 0.23 -1.59 0.11 -1.26 -5.19 120.40 111.62 2cr6 s VAL 9 Ca -0.11 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.81 2cr6 s VAL 9 Cb -0.05 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2cr6 s VAL 9 CO 0.04 0.00 0.47 0.00 -3.33 0.00 0.00 175.10 172.28 2cr6 s GLN 10 N -1.26 1.49 0.00 1.54 0.00 -1.26 -5.12 119.66 115.06 2cr6 s GLN 10 Ca -0.02 -1.19 0.00 0.00 -0.00 0.00 0.00 55.36 54.15 2cr6 s GLN 10 Cb -0.00 0.47 0.00 0.00 0.00 0.00 0.00 33.01 33.48 2cr6 s GLN 10 CO 0.01 -0.62 0.00 0.41 0.00 0.00 0.00 175.29 175.10 2cr6 n GLY 11 N -0.36 -0.12 3.30 2.60 0.00 -1.26 -5.13 105.19 104.22 2cr6 n GLY 11 Ca -0.03 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 2cr6 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr6 n ARG 12 N 0.00 -1.85 -4.94 1.61 1.74 -1.26 -5.00 116.66 106.96 2cr6 n ARG 12 Ca 0.00 -0.52 -0.33 0.00 -0.77 0.00 0.00 57.85 56.23 2cr6 n ARG 12 Cb 0.00 -1.77 -0.15 0.00 -1.02 0.00 0.00 32.46 29.51 2cr6 n ARG 12 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2cr6 s ARG 13 N -3.61 3.25 -0.09 5.56 6.06 -1.26 -4.83 118.95 124.03 2cr6 s ARG 13 Ca 0.58 -0.76 -0.02 0.00 -2.50 0.00 0.00 55.73 53.03 2cr6 s ARG 13 Cb -0.14 -2.50 -0.03 0.00 0.06 0.00 0.00 34.95 32.34 2cr6 s ARG 13 CO 0.66 0.20 -0.00 0.08 -2.50 0.00 0.00 175.30 173.73 2cr6 s VAL 14 N 0.36 4.25 -0.19 7.11 1.01 -1.26 -4.27 120.40 127.40 2cr6 s VAL 14 Ca -0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 2cr6 s VAL 14 Cb -0.17 -2.79 0.06 0.00 0.00 0.00 0.00 36.38 33.48 2cr6 s VAL 14 CO 0.07 0.59 0.01 -1.00 0.00 0.00 0.00 175.10 174.77 2cr6 s HIS 15 N -0.75 1.32 -0.33 5.22 3.76 -1.06 -4.63 115.29 118.82 2cr6 s HIS 15 Ca 0.12 -0.99 -0.28 0.00 -0.15 0.00 0.00 55.06 53.75 2cr6 s HIS 15 Cb -0.12 -1.14 -0.07 0.00 1.11 0.00 0.00 32.58 32.37 2cr6 s HIS 15 CO 0.02 -0.62 2.29 -0.89 -0.85 0.00 0.00 174.74 174.69 2cr6 n ILE 16 N 4.97 0.19 -0.05 0.60 2.08 -1.26 -2.32 119.36 123.57 2cr6 n ILE 16 Ca -0.10 -0.54 -0.01 0.00 0.56 0.00 0.00 62.75 62.67 2cr6 n ILE 16 Cb 0.47 -2.51 -0.00 0.00 -0.75 0.00 0.00 39.64 36.84 2cr6 n ILE 16 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2cr6 h ILE 17 N 7.34 0.00 -3.11 1.39 2.04 -1.11 -3.43 117.51 120.62 2cr6 h ILE 17 Ca -0.34 -0.85 -0.62 0.00 1.00 0.00 0.00 64.86 64.05 2cr6 h ILE 17 Cb 1.26 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.93 2cr6 h ILE 17 CO 1.03 0.00 -0.64 -1.61 0.00 0.00 0.00 178.15 176.93 2cr6 s GLU 18 N -1.62 2.05 0.69 2.37 2.02 0.85 -4.95 118.70 120.12 2cr6 s GLU 18 Ca -0.03 -2.87 -0.17 0.00 0.02 0.00 0.00 54.97 51.92 2cr6 s GLU 18 Cb 0.00 -3.10 -0.00 0.00 0.10 0.00 0.00 34.13 31.13 2cr6 s GLU 18 CO 0.05 -1.23 1.07 -3.47 0.02 0.00 0.00 175.26 171.70 2cr6 n ASP 19 N 2.57 0.97 -3.97 -0.19 2.03 -1.26 -1.30 116.55 115.40 2cr6 n ASP 19 Ca 0.15 0.72 -0.28 0.00 0.52 0.00 0.00 54.79 55.90 2cr6 n ASP 19 Cb 0.35 -1.45 0.19 0.00 -0.72 0.00 0.00 41.12 39.49 2cr6 n ASP 19 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2cr6 n LEU 20 N -1.71 -1.80 0.00 -2.67 4.77 -1.26 -4.88 117.00 109.46 2cr6 n LEU 20 Ca 0.14 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2cr6 n LEU 20 Cb 0.49 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2cr6 n LEU 20 CO 0.48 -3.33 0.00 -1.84 -1.33 0.00 0.00 177.39 171.37 2cr6 n GLU 21 N -2.70 0.00 0.00 3.23 0.28 -1.26 -4.86 120.64 115.32 2cr6 n GLU 21 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2cr6 n GLU 21 Cb 0.54 -0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.41 2cr6 n GLU 21 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2cr6 n ASP 22 N -1.55 0.00 -3.79 -1.84 5.68 -1.26 -3.83 116.55 109.96 2cr6 n ASP 22 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2cr6 n ASP 22 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 2cr6 n ASP 22 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2cr6 s VAL 23 N -2.00 0.04 -0.27 2.12 1.01 -0.53 -4.95 120.40 115.83 2cr6 s VAL 23 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2cr6 s VAL 23 Cb 0.00 -0.49 0.15 0.00 0.00 0.00 0.00 36.38 36.04 2cr6 s VAL 23 CO 0.00 -0.18 0.43 1.51 0.00 0.00 0.00 175.10 176.86 2cr6 s ASP 24 N -0.74 -0.04 0.15 3.32 -4.77 -1.25 -0.02 116.67 113.32 2cr6 s ASP 24 Ca -0.08 0.14 -0.10 0.00 -3.30 0.00 0.00 52.55 49.21 2cr6 s ASP 24 Cb -0.04 1.31 -0.00 0.00 -1.09 0.00 0.00 42.92 43.10 2cr6 s ASP 24 CO 0.02 -0.31 0.31 0.68 0.70 0.00 0.00 175.17 176.57 2cr6 s VAL 25 N 2.60 0.07 0.55 2.11 -7.23 -1.15 -5.00 120.40 112.36 2cr6 s VAL 25 Ca 0.13 -1.24 -0.22 0.00 -1.81 0.00 0.00 61.98 58.85 2cr6 s VAL 25 Cb -0.14 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 2cr6 s VAL 25 CO -0.21 -0.33 1.35 -1.10 -0.31 0.00 0.00 175.10 174.50 2cr6 s GLN 26 N -3.93 3.14 0.56 4.82 1.11 -1.26 -2.74 119.66 121.35 2cr6 s GLN 26 Ca 0.14 2.20 -0.21 0.00 0.01 0.00 0.00 55.36 57.50 2cr6 s GLN 26 Cb 0.03 -2.24 -0.04 0.00 -1.01 0.00 0.00 33.01 29.75 2cr6 s GLN 26 CO -0.03 -1.18 1.32 -1.83 0.01 0.00 0.00 175.29 173.58 2cr6 s GLU 27 N -2.93 3.07 0.00 2.91 4.04 -0.15 -2.69 118.70 122.96 2cr6 s GLU 27 Ca 0.72 2.14 0.00 0.00 0.04 0.00 0.00 54.97 57.87 2cr6 s GLU 27 Cb -0.40 -2.17 0.00 0.00 0.02 0.00 0.00 34.13 31.58 2cr6 s GLU 27 CO 0.47 -1.22 0.00 0.41 -1.84 0.00 0.00 175.26 173.08 2cr6 n GLY 28 N 0.72 2.74 0.53 -3.83 0.00 0.75 -4.74 105.19 101.36 2cr6 n GLY 28 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 2cr6 n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr6 n SER 29 N 0.00 0.04 -4.17 1.61 7.64 -1.09 -1.97 113.62 115.67 2cr6 n SER 29 Ca 0.00 -1.08 -0.36 0.00 1.01 0.00 0.00 58.87 58.44 2cr6 n SER 29 Cb 0.00 -0.13 -0.12 0.00 -1.01 0.00 0.00 64.21 62.94 2cr6 n SER 29 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cr6 s SER 30 N -1.65 5.16 -0.47 6.43 1.04 -1.26 -2.93 113.70 120.02 2cr6 s SER 30 Ca 0.10 -1.58 -0.23 0.00 0.48 0.00 0.00 55.95 54.72 2cr6 s SER 30 Cb -0.00 -1.80 0.03 0.00 0.10 0.00 0.00 66.02 64.34 2cr6 s SER 30 CO 0.07 -0.41 0.82 0.00 0.98 0.00 0.00 173.24 174.70 2cr6 s ALA 31 N 1.24 3.27 0.13 5.32 0.00 -1.21 -4.84 121.76 125.67 2cr6 s ALA 31 Ca 0.01 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 2cr6 s ALA 31 Cb -0.21 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 2cr6 s ALA 31 CO -0.02 -2.01 1.06 0.99 0.00 0.00 0.00 175.76 175.79 2cr6 s THR 32 N 3.41 4.15 -0.30 0.00 2.01 -1.25 -3.25 115.64 120.41 2cr6 s THR 32 Ca 0.30 1.77 -0.01 0.00 0.31 0.00 0.00 61.69 64.06 2cr6 s THR 32 Cb -0.12 -4.13 0.10 0.00 0.01 0.00 0.00 72.50 68.36 2cr6 s THR 32 CO 0.22 0.26 0.09 -0.36 -0.69 0.00 0.00 174.62 174.14 2cr6 s PHE 33 N 0.08 1.70 0.24 4.92 0.08 0.27 -4.92 117.98 120.34 2cr6 s PHE 33 Ca 0.50 -1.68 -0.03 0.00 0.12 0.00 0.00 56.93 55.84 2cr6 s PHE 33 Cb -0.27 -1.67 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 2cr6 s PHE 33 CO 0.32 -0.85 0.47 1.03 -0.10 0.00 0.00 175.22 176.09 2cr6 s ARG 34 N 1.62 3.59 -0.29 0.44 0.52 -1.26 -1.56 118.95 122.01 2cr6 s ARG 34 Ca 0.08 -0.14 -0.16 0.00 -0.52 0.00 0.00 55.73 55.00 2cr6 s ARG 34 Cb -0.17 -2.74 0.15 0.00 0.52 0.00 0.00 34.95 32.70 2cr6 s ARG 34 CO -0.23 0.32 0.99 0.00 0.02 0.00 0.00 175.30 176.40 2cr6 s ARG 36 N 1.48 3.35 -0.06 0.00 3.52 -0.42 -2.56 118.95 124.27 2cr6 s ARG 36 Ca -0.08 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 2cr6 s ARG 36 Cb -0.04 -3.87 0.01 0.00 -1.56 0.00 0.00 34.95 29.49 2cr6 s ARG 36 CO -0.15 -0.64 -0.12 0.96 -0.81 0.00 0.00 175.30 174.54 2cr6 s ILE 37 N 1.99 1.07 0.32 4.11 -5.25 -1.14 -0.10 121.20 122.20 2cr6 s ILE 37 Ca 0.11 -0.45 -0.09 0.00 -0.99 0.00 0.00 60.65 59.22 2cr6 s ILE 37 Cb -0.17 -0.97 -0.06 0.00 2.95 0.00 0.00 42.46 44.20 2cr6 s ILE 37 CO 0.12 0.34 0.65 -0.55 -1.79 0.00 0.00 174.94 173.70 2cr6 s SER 38 N 0.58 6.54 0.64 4.36 0.15 -0.98 -4.03 113.70 120.96 2cr6 s SER 38 Ca -0.12 0.97 -0.16 0.00 0.70 0.00 0.00 55.95 57.34 2cr6 s SER 38 Cb -0.15 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 2cr6 s SER 38 CO 0.03 -0.24 1.11 -2.16 1.20 0.00 0.00 173.24 173.18 2cr6 s PRO 39 N -3.45 2.90 0.63 5.44 0.04 -1.26 -2.58 135.00 136.73 2cr6 s PRO 39 Ca 0.48 1.43 0.32 0.00 0.04 0.00 0.00 61.00 63.28 2cr6 s PRO 39 Cb -0.11 -1.96 1.80 0.00 0.04 0.00 0.00 34.50 34.27 2cr6 s PRO 39 CO 0.27 -1.18 2.08 0.00 0.04 0.00 0.00 177.00 178.22 2cr6 h ALA 40 N 0.24 1.52 -0.92 8.56 0.00 -1.88 -0.39 119.26 126.39 2cr6 h ALA 40 Ca -0.47 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.81 2cr6 h ALA 40 Cb 1.25 0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.70 2cr6 h ALA 40 CO 0.55 -0.28 0.12 0.09 0.00 0.00 0.00 179.25 179.72 2cr6 n ASN 41 N -3.35 6.43 -4.78 0.00 4.13 -1.26 -2.50 115.26 113.93 2cr6 n ASN 41 Ca 0.00 -3.77 -0.38 0.00 1.68 0.00 0.00 54.58 52.10 2cr6 n ASN 41 Cb 0.32 -0.70 -0.06 0.00 -1.54 0.00 0.00 39.78 37.80 2cr6 n ASN 41 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2cr6 s TYR 42 N -3.74 3.69 0.00 3.10 6.14 -0.16 -5.05 117.35 121.34 2cr6 s TYR 42 Ca 0.58 1.12 0.00 0.00 0.64 0.00 0.00 57.07 59.41 2cr6 s TYR 42 Cb 0.46 -2.51 0.00 0.00 0.42 0.00 0.00 41.96 40.33 2cr6 s TYR 42 CO -0.02 0.44 0.00 -0.85 0.64 0.00 0.00 175.55 175.76 2cr6 n GLU 43 N 2.45 0.00 -1.09 4.97 0.28 -1.26 -4.73 120.64 121.26 2cr6 n GLU 43 Ca -0.09 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.61 2cr6 n GLU 43 Cb 0.51 0.00 0.23 0.00 1.43 0.00 0.00 31.44 33.62 2cr6 n GLU 43 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2cr6 s PRO 44 N -2.00 -1.07 0.06 3.44 0.04 -1.26 -5.17 135.00 129.04 2cr6 s PRO 44 Ca 0.00 -0.01 0.09 0.00 0.04 0.00 0.00 61.00 61.12 2cr6 s PRO 44 Cb 0.00 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 2cr6 s PRO 44 CO 0.00 -3.62 -0.25 0.14 0.04 0.00 0.00 177.00 173.31 2cr6 s VAL 45 N -3.00 2.02 0.05 -0.36 -7.23 -1.26 -5.01 120.40 105.61 2cr6 s VAL 45 Ca 0.70 -1.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.49 2cr6 s VAL 45 Cb -0.11 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2cr6 s VAL 45 CO 0.56 0.26 0.03 -1.00 -0.31 0.00 0.00 175.10 174.64 2cr6 s HIS 46 N -0.87 3.10 -0.02 2.82 3.76 -1.15 -5.04 115.29 117.88 2cr6 s HIS 46 Ca 0.11 0.05 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 2cr6 s HIS 46 Cb -0.10 -1.62 0.03 0.00 1.11 0.00 0.00 32.58 32.00 2cr6 s HIS 46 CO 0.03 0.49 0.02 -1.58 -0.85 0.00 0.00 174.74 172.85 2cr6 s TRP 47 N -1.26 0.15 0.22 1.40 0.52 -1.26 -1.93 118.94 116.79 2cr6 s TRP 47 Ca 0.25 0.07 0.06 0.00 0.02 0.00 0.00 56.10 56.50 2cr6 s TRP 47 Cb -0.12 -0.30 -0.05 0.00 -1.15 0.00 0.00 33.47 31.86 2cr6 s TRP 47 CO 0.17 -0.10 -0.09 -0.06 0.02 0.00 0.00 176.95 176.89 2cr6 s PHE 48 N 0.99 1.69 -0.24 -1.98 0.40 -1.08 -0.06 117.98 117.70 2cr6 s PHE 48 Ca -0.09 -0.70 -0.04 0.00 -0.60 0.00 0.00 56.93 55.50 2cr6 s PHE 48 Cb -0.13 -0.89 0.08 0.00 0.51 0.00 0.00 43.02 42.60 2cr6 s PHE 48 CO -0.02 0.22 0.11 -1.17 0.70 0.00 0.00 175.22 175.06 2cr6 s LEU 49 N -3.33 0.65 0.00 -0.37 1.98 -0.24 -0.09 118.68 117.29 2cr6 s LEU 49 Ca 0.25 -1.06 0.00 0.00 -2.89 0.00 0.00 54.13 50.43 2cr6 s LEU 49 Cb 0.02 -0.37 0.00 0.00 0.66 0.00 0.00 46.19 46.50 2cr6 s LEU 49 CO 0.08 -0.40 0.00 0.47 -1.89 0.00 0.00 176.35 174.61 2cr6 n ASP 50 N 5.21 0.00 -2.73 3.68 9.92 -0.63 -2.26 116.55 129.74 2cr6 n ASP 50 Ca -0.06 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.18 2cr6 n ASP 50 Cb 0.45 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.02 2cr6 n ASP 50 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2cr6 n LYS 51 N 0.00 1.48 -3.70 -1.24 2.85 -1.26 -4.97 118.16 111.32 2cr6 n LYS 51 Ca 0.00 -2.13 -0.11 0.00 -1.05 0.00 0.00 58.31 55.03 2cr6 n LYS 51 Cb 0.00 -0.37 -0.11 0.00 -0.65 0.00 0.00 35.03 33.90 2cr6 n LYS 51 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2cr6 s THR 52 N -1.38 -0.03 0.51 0.58 2.01 -0.96 -5.16 115.64 111.22 2cr6 s THR 52 Ca 0.17 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.05 2cr6 s THR 52 Cb 0.40 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 72.27 2cr6 s THR 52 CO -0.09 0.04 1.14 -2.16 -0.69 0.00 0.00 174.62 172.86 2cr6 s PRO 53 N 1.28 3.52 0.03 4.92 0.04 -1.26 -1.07 135.00 142.45 2cr6 s PRO 53 Ca -0.09 1.68 0.07 0.00 0.04 0.00 0.00 61.00 62.70 2cr6 s PRO 53 Cb -0.08 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 2cr6 s PRO 53 CO -0.11 -0.73 -0.20 -0.51 0.04 0.00 0.00 177.00 175.49 2cr6 s LEU 54 N -3.49 2.13 -0.04 -3.56 1.43 0.91 -4.88 118.68 111.18 2cr6 s LEU 54 Ca 0.69 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2cr6 s LEU 54 Cb -0.26 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 44.99 2cr6 s LEU 54 CO 0.30 0.18 0.17 -1.00 0.23 0.00 0.00 176.35 176.23 2cr6 s HIS 55 N -0.71 -0.11 0.20 0.29 3.76 -1.26 -4.20 115.29 113.25 2cr6 s HIS 55 Ca 0.07 0.26 -0.32 0.00 -0.15 0.00 0.00 55.06 54.92 2cr6 s HIS 55 Cb -0.08 0.03 -0.14 0.00 1.11 0.00 0.00 32.58 33.49 2cr6 s HIS 55 CO 0.01 -0.17 1.36 0.00 -0.85 0.00 0.00 174.74 175.10 2cr6 n ALA 56 N 2.42 0.48 -3.00 -1.40 0.00 -1.26 -4.59 120.51 113.16 2cr6 n ALA 56 Ca -0.16 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2cr6 n ALA 56 Cb 0.58 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2cr6 n ALA 56 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2cr6 n ASN 57 N 2.34 0.00 -0.16 0.00 5.15 -0.11 -4.89 115.26 117.58 2cr6 n ASN 57 Ca 0.14 -0.94 0.27 0.00 -0.60 0.00 0.00 54.58 53.45 2cr6 n ASN 57 Cb 0.28 0.00 0.72 0.00 -0.53 0.00 0.00 39.78 40.25 2cr6 n ASN 57 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2cr6 h GLU 58 N 0.00 0.01 0.00 1.20 4.81 -2.01 -2.97 114.58 115.61 2cr6 h GLU 58 Ca 0.00 -0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 2cr6 h GLU 58 Cb 0.00 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2cr6 h GLU 58 CO 0.00 0.01 -2.04 1.28 -0.73 0.00 0.00 179.01 177.52 2cr6 n LEU 59 N -4.29 1.79 -4.74 1.64 4.77 -1.26 -4.98 117.00 109.93 2cr6 n LEU 59 Ca 0.17 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.88 2cr6 n LEU 59 Cb 0.91 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2cr6 n LEU 59 CO 0.38 0.51 0.98 0.20 -1.33 0.00 0.00 177.39 178.13 2cr6 s ASN 60 N -6.43 6.89 -0.07 -1.43 -0.87 -1.12 -2.14 114.94 109.77 2cr6 s ASN 60 Ca -0.26 2.45 0.01 0.00 -1.57 0.00 0.00 52.86 53.49 2cr6 s ASN 60 Cb 0.09 -2.62 0.02 0.00 -0.02 0.00 0.00 41.25 38.72 2cr6 s ASN 60 CO 0.35 -0.51 -0.07 -0.70 -2.57 0.00 0.00 177.10 173.60 2cr6 s GLU 61 N -0.44 1.21 -0.29 -0.60 2.12 -1.01 -0.94 118.70 118.74 2cr6 s GLU 61 Ca 0.55 -0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.67 2cr6 s GLU 61 Cb -0.37 -1.19 0.09 0.00 0.26 0.00 0.00 34.13 32.92 2cr6 s GLU 61 CO 0.41 -0.12 0.09 0.42 -0.54 0.00 0.00 175.26 175.51 2cr6 s ILE 62 N 1.16 0.81 0.80 -3.70 1.01 -1.26 -0.33 121.20 119.69 2cr6 s ILE 62 Ca -0.06 -1.26 -0.05 0.00 0.00 0.00 0.00 60.65 59.28 2cr6 s ILE 62 Cb -0.14 -1.56 0.15 0.00 0.01 0.00 0.00 42.46 40.92 2cr6 s ILE 62 CO -0.01 -0.60 1.09 -1.81 0.00 0.00 0.00 174.94 173.61 2cr6 s ASP 63 N 1.66 3.94 -0.40 3.58 1.01 0.35 -4.96 116.67 121.85 2cr6 s ASP 63 Ca 0.08 -0.24 0.09 0.00 0.71 0.00 0.00 52.55 53.18 2cr6 s ASP 63 Cb -0.17 -0.01 0.29 0.00 1.01 0.00 0.00 42.92 44.04 2cr6 s ASP 63 CO -0.23 -2.15 0.69 0.00 0.21 0.00 0.00 175.17 173.69 2cr6 n ALA 64 N -3.11 1.51 -0.79 5.23 0.00 -1.26 -3.31 120.51 118.78 2cr6 n ALA 64 Ca 0.16 -2.97 -0.33 0.00 0.00 0.00 0.00 53.44 50.30 2cr6 n ALA 64 Cb 0.60 -0.95 0.12 0.00 0.00 0.00 0.00 19.45 19.23 2cr6 n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cr6 n GLN 65 N 0.98 -0.37 -2.23 0.00 6.02 0.70 -4.82 117.38 117.66 2cr6 n GLN 65 Ca 0.19 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.70 2cr6 n GLN 65 Cb 0.60 -1.84 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 2cr6 n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2cr6 s PRO 66 N -3.62 4.40 0.00 -1.09 0.04 -1.26 -2.71 135.00 130.76 2cr6 s PRO 66 Ca 0.57 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2cr6 s PRO 66 Cb -0.21 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2cr6 s PRO 66 CO 0.68 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.90 2cr6 n GLY 67 N 2.25 1.62 2.39 0.56 0.00 -1.26 -4.31 105.19 106.44 2cr6 n GLY 67 Ca 0.06 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2cr6 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr6 n GLY 68 N -1.20 -0.17 3.38 -0.02 0.00 -1.04 -4.82 105.19 101.32 2cr6 n GLY 68 Ca 0.00 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 2cr6 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr6 s TYR 69 N -2.79 3.38 -0.51 1.61 1.51 -1.10 -2.87 117.35 116.58 2cr6 s TYR 69 Ca 0.08 -1.58 -0.24 0.00 -1.01 0.00 0.00 57.07 54.33 2cr6 s TYR 69 Cb -0.03 -4.03 0.04 0.00 -0.11 0.00 0.00 41.96 37.82 2cr6 s TYR 69 CO 0.10 -1.24 0.87 -1.01 -1.11 0.00 0.00 175.55 173.16 2cr6 s HIS 70 N 1.58 2.89 -0.14 2.71 3.76 -1.06 -0.22 115.29 124.82 2cr6 s HIS 70 Ca 0.22 0.04 -0.09 0.00 -0.15 0.00 0.00 55.06 55.08 2cr6 s HIS 70 Cb -0.11 -3.89 -0.04 0.00 1.11 0.00 0.00 32.58 29.65 2cr6 s HIS 70 CO -0.06 -1.18 0.17 0.08 -0.85 0.00 0.00 174.74 172.89 2cr6 s VAL 71 N 3.61 5.42 -0.19 -0.90 1.01 -1.21 -3.08 120.40 125.07 2cr6 s VAL 71 Ca 0.30 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.57 2cr6 s VAL 71 Cb -0.13 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2cr6 s VAL 71 CO 0.21 0.54 -0.14 -0.22 0.00 0.00 0.00 175.10 175.49 2cr6 s LEU 72 N -0.47 2.23 -0.57 3.92 2.96 -0.60 -0.50 118.68 125.65 2cr6 s LEU 72 Ca 0.14 -0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 53.24 2cr6 s LEU 72 Cb -0.12 -1.32 0.15 0.00 0.50 0.00 0.00 46.19 45.39 2cr6 s LEU 72 CO 0.03 -0.09 0.37 -0.89 -1.32 0.00 0.00 176.35 174.45 2cr6 s THR 73 N 1.35 3.44 -0.85 3.68 2.01 0.56 -0.57 115.64 125.26 2cr6 s THR 73 Ca 0.01 -2.88 -0.25 0.00 0.31 0.00 0.00 61.69 58.88 2cr6 s THR 73 Cb -0.15 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.10 2cr6 s THR 73 CO -0.10 -0.83 1.51 -0.76 -0.69 0.00 0.00 174.62 173.75 2cr6 s LEU 74 N 0.08 3.31 0.45 4.42 1.43 -1.20 -2.42 118.68 124.75 2cr6 s LEU 74 Ca 0.16 -0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 52.28 2cr6 s LEU 74 Cb -0.21 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 2cr6 s LEU 74 CO -0.03 -1.91 0.97 -0.13 0.23 0.00 0.00 176.35 175.48 2cr6 s ARG 75 N 5.79 4.12 -0.85 1.70 0.52 -0.91 -3.32 118.95 125.99 2cr6 s ARG 75 Ca 0.48 1.15 -0.04 0.00 -0.52 0.00 0.00 55.73 56.81 2cr6 s ARG 75 Cb -0.05 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.24 2cr6 s ARG 75 CO 0.04 -0.13 0.73 1.04 0.02 0.00 0.00 175.30 177.00 2cr6 n GLN 76 N -0.78 -1.49 -2.36 3.54 6.02 -0.83 -4.61 117.38 116.86 2cr6 n GLN 76 Ca 0.07 1.15 -0.24 0.00 -0.01 0.00 0.00 57.00 57.97 2cr6 n GLN 76 Cb 0.54 -5.02 0.14 0.00 1.02 0.00 0.00 30.24 26.91 2cr6 n GLN 76 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2cr6 n LEU 77 N -2.45 0.00 -3.92 1.08 4.77 -1.22 -4.40 117.00 110.86 2cr6 n LEU 77 Ca -0.07 -1.91 -0.09 0.00 -0.03 0.00 0.00 56.01 53.91 2cr6 n LEU 77 Cb 0.56 -0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2cr6 n LEU 77 CO 0.57 -1.08 -0.13 0.00 -1.33 0.00 0.00 177.39 175.43 2cr6 s ALA 78 N -3.35 -0.04 0.45 -1.18 0.00 -1.26 -0.18 121.76 116.20 2cr6 s ALA 78 Ca 0.67 -0.78 0.40 0.00 0.00 0.00 0.00 51.96 52.24 2cr6 s ALA 78 Cb -0.03 0.55 2.10 0.00 0.00 0.00 0.00 23.12 25.74 2cr6 s ALA 78 CO 0.45 -0.52 2.21 -0.07 0.00 0.00 0.00 175.76 177.83 2cr6 h LEU 79 N 2.77 0.00 -0.66 0.00 3.38 -1.91 0.11 115.31 118.99 2cr6 h LEU 79 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2cr6 h LEU 79 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2cr6 h LEU 79 CO 0.56 0.00 0.00 2.29 0.09 0.00 0.00 178.44 181.38 2cr6 n LYS 80 N -2.93 1.43 -0.01 1.13 2.85 -1.26 -3.43 118.16 115.94 2cr6 n LYS 80 Ca -0.02 -0.65 0.05 0.00 -1.05 0.00 0.00 58.31 56.63 2cr6 n LYS 80 Cb 0.09 -1.33 -0.14 0.00 -0.65 0.00 0.00 35.03 33.00 2cr6 n LYS 80 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2cr6 n ASP 81 N -0.11 0.18 -4.47 -5.58 2.03 0.38 -4.92 116.55 104.05 2cr6 n ASP 81 Ca 0.14 0.07 -0.50 0.00 0.52 0.00 0.00 54.79 55.02 2cr6 n ASP 81 Cb 0.22 1.41 -0.07 0.00 -0.72 0.00 0.00 41.12 41.96 2cr6 n ASP 81 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2cr6 n SER 82 N -2.48 2.27 0.00 1.67 3.41 -1.22 -4.65 113.62 112.62 2cr6 n SER 82 Ca -0.11 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2cr6 n SER 82 Cb 0.73 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2cr6 n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr6 n GLY 83 N 6.33 1.27 3.24 5.00 0.00 0.11 -4.97 105.19 116.16 2cr6 n GLY 83 Ca 0.39 0.36 -0.01 0.00 0.00 0.00 0.00 46.02 46.76 2cr6 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cr6 s THR 84 N 2.06 -0.88 -0.04 2.61 2.01 -1.26 -2.33 115.64 117.80 2cr6 s THR 84 Ca 0.00 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 2cr6 s THR 84 Cb 0.00 -0.93 -0.07 0.00 0.01 0.00 0.00 72.50 71.52 2cr6 s THR 84 CO 0.00 -0.02 1.84 -0.63 -0.69 0.00 0.00 174.62 175.12 2cr6 s ILE 85 N 2.78 3.30 -0.86 1.82 -1.09 -0.78 -1.61 121.20 124.76 2cr6 s ILE 85 Ca 0.10 0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 58.82 2cr6 s ILE 85 Cb -0.14 -3.25 0.22 0.00 -1.58 0.00 0.00 42.46 37.71 2cr6 s ILE 85 CO -0.19 -0.05 0.76 -0.31 -1.23 0.00 0.00 174.94 173.92 2cr6 s TYR 86 N 4.69 3.83 0.62 3.97 2.02 0.87 -2.40 117.35 130.95 2cr6 s TYR 86 Ca 0.82 -2.72 -0.18 0.00 -0.37 0.00 0.00 57.07 54.62 2cr6 s TYR 86 Cb -0.37 -3.45 -0.02 0.00 -0.40 0.00 0.00 41.96 37.72 2cr6 s TYR 86 CO 0.35 -0.84 1.22 0.12 -1.57 0.00 0.00 175.55 174.83 2cr6 s PHE 87 N -0.78 2.30 -0.02 2.71 5.36 -0.86 -2.62 117.98 124.07 2cr6 s PHE 87 Ca 0.24 1.52 0.02 0.00 -0.96 0.00 0.00 56.93 57.75 2cr6 s PHE 87 Cb -0.11 -3.52 0.00 0.00 -0.34 0.00 0.00 43.02 39.05 2cr6 s PHE 87 CO -0.09 -2.38 -0.08 -1.21 -1.46 0.00 0.00 175.22 170.00 2cr6 s GLU 88 N -3.40 0.86 -0.30 10.12 2.02 -0.81 -2.49 118.70 124.70 2cr6 s GLU 88 Ca 0.78 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.51 2cr6 s GLU 88 Cb -0.32 -0.82 0.19 0.00 0.10 0.00 0.00 34.13 33.29 2cr6 s GLU 88 CO 0.35 0.10 0.73 0.00 0.02 0.00 0.00 175.26 176.47 2cr6 s ALA 89 N 0.21 -2.92 0.00 5.21 0.00 -1.23 -2.95 121.76 120.07 2cr6 s ALA 89 Ca -0.03 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2cr6 s ALA 89 Cb -0.08 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.40 2cr6 s ALA 89 CO 0.00 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.24 2cr6 n GLY 90 N 5.28 2.15 0.77 0.00 0.00 -1.26 -2.33 105.19 109.81 2cr6 n GLY 90 Ca 0.07 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2cr6 n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cr6 n ASP 91 N 10.16 3.46 -4.64 1.61 2.03 -1.26 -5.01 116.55 122.89 2cr6 n ASP 91 Ca 0.00 -3.12 -0.31 0.00 0.52 0.00 0.00 54.79 51.89 2cr6 n ASP 91 Cb 0.00 -0.54 -0.05 0.00 -0.72 0.00 0.00 41.12 39.81 2cr6 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cr6 n GLN 92 N -0.75 0.78 -3.31 -0.67 1.13 -0.98 -5.01 117.38 108.56 2cr6 n GLN 92 Ca 0.22 -3.56 0.02 0.00 -1.94 0.00 0.00 57.00 51.74 2cr6 n GLN 92 Cb 0.86 0.84 -0.04 0.00 0.11 0.00 0.00 30.24 32.02 2cr6 n GLN 92 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2cr6 s ARG 93 N -3.87 0.16 0.39 -1.09 3.52 -1.26 -3.54 118.95 113.27 2cr6 s ARG 93 Ca 0.06 0.41 -0.00 0.00 -0.13 0.00 0.00 55.73 56.06 2cr6 s ARG 93 Cb -0.00 0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.59 2cr6 s ARG 93 CO 0.04 -0.06 0.61 0.00 -0.81 0.00 0.00 175.30 175.09 2cr6 s ALA 94 N 2.19 3.66 -0.07 6.12 0.00 -1.04 -4.90 121.76 127.73 2cr6 s ALA 94 Ca -0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2cr6 s ALA 94 Cb -0.03 -2.19 0.04 0.00 0.00 0.00 0.00 23.12 20.94 2cr6 s ALA 94 CO -0.17 -0.16 0.13 -1.54 0.00 0.00 0.00 175.76 174.03 2cr6 s SER 95 N -4.09 0.54 0.03 0.00 1.04 -1.25 -2.03 113.70 107.93 2cr6 s SER 95 Ca 0.43 0.26 0.05 0.00 0.48 0.00 0.00 55.95 57.17 2cr6 s SER 95 Cb -0.10 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 2cr6 s SER 95 CO 0.38 -0.21 -0.15 0.00 0.98 0.00 0.00 173.24 174.24 2cr6 s ALA 96 N 1.89 1.25 -0.72 5.32 0.00 -1.01 -4.68 121.76 123.81 2cr6 s ALA 96 Ca -0.01 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 2cr6 s ALA 96 Cb -0.12 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2cr6 s ALA 96 CO -0.05 0.26 1.49 0.00 0.00 0.00 0.00 175.76 177.46 2cr6 s ALA 97 N -0.76 2.53 -0.81 0.00 0.00 -1.25 -1.86 121.76 119.61 2cr6 s ALA 97 Ca 0.03 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 2cr6 s ALA 97 Cb -0.08 -4.30 0.10 0.00 0.00 0.00 0.00 23.12 18.84 2cr6 s ALA 97 CO 0.01 -3.55 1.08 -1.17 0.00 0.00 0.00 175.76 172.12 2cr6 s LEU 98 N 6.88 4.61 -0.01 0.00 2.96 -0.98 -1.45 118.68 130.69 2cr6 s LEU 98 Ca 0.47 -1.50 -0.09 0.00 -0.22 0.00 0.00 54.13 52.79 2cr6 s LEU 98 Cb -0.09 -2.42 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 2cr6 s LEU 98 CO 0.15 -1.28 0.30 -0.13 -1.32 0.00 0.00 176.35 174.07 2cr6 s ARG 99 N 3.53 3.67 -0.24 1.98 0.52 0.97 -0.72 118.95 128.66 2cr6 s ARG 99 Ca 0.29 0.08 -0.03 0.00 -0.52 0.00 0.00 55.73 55.56 2cr6 s ARG 99 Cb -0.10 -3.12 0.12 0.00 0.52 0.00 0.00 34.95 32.37 2cr6 s ARG 99 CO -0.00 0.67 0.33 0.08 0.02 0.00 0.00 175.30 176.40 2cr6 s VAL 100 N -1.20 -0.51 0.40 3.52 1.01 -1.26 -2.93 120.40 119.42 2cr6 s VAL 100 Ca 0.25 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2cr6 s VAL 100 Cb -0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2cr6 s VAL 100 CO 0.13 -0.18 0.59 0.42 0.00 0.00 0.00 175.10 176.06 2cr6 s THR 101 N 2.47 4.24 1.11 3.92 -4.23 -1.11 -4.75 115.64 117.29 2cr6 s THR 101 Ca 0.11 -0.63 -0.19 0.00 -1.18 0.00 0.00 61.69 59.80 2cr6 s THR 101 Cb -0.15 -3.54 0.10 0.00 1.34 0.00 0.00 72.50 70.25 2cr6 s THR 101 CO -0.17 -0.33 -0.00 -0.62 -0.54 0.00 0.00 174.62 172.96 2cr6 n GLU 102 N -1.90 -1.53 -4.14 3.99 1.02 -1.26 -0.97 120.64 115.85 2cr6 n GLU 102 Ca -0.00 -0.43 -0.09 0.00 -0.02 0.00 0.00 57.16 56.62 2cr6 n GLU 102 Cb 0.57 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.20 2cr6 n GLU 102 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2cr6 s LYS 103 N -3.43 0.77 -0.00 3.49 0.00 -1.26 -4.28 119.74 115.02 2cr6 s LYS 103 Ca 0.56 -1.31 -0.24 0.00 0.00 0.00 0.00 55.97 54.97 2cr6 s LYS 103 Cb -0.12 0.05 -0.18 0.00 0.00 0.00 0.00 37.83 37.58 2cr6 s LYS 103 CO 0.66 -0.11 1.29 -1.00 0.00 0.00 0.00 175.35 176.20 2cr6 h PRO 104 N 3.01 0.11 -1.65 1.78 0.13 -1.96 -3.46 132.00 129.96 2cr6 h PRO 104 Ca -0.35 -0.06 0.11 0.00 -0.87 0.00 0.00 66.00 64.83 2cr6 h PRO 104 Cb 1.16 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 2cr6 h PRO 104 CO 0.64 0.57 0.01 -1.54 -0.23 0.00 0.00 178.00 177.45 2cr6 s SER 105 N -5.83 -0.93 0.14 1.44 1.04 -1.26 -5.17 113.70 103.12 2cr6 s SER 105 Ca -0.15 1.30 -0.20 0.00 0.48 0.00 0.00 55.95 57.37 2cr6 s SER 105 Cb 0.03 2.03 0.06 0.00 0.10 0.00 0.00 66.02 68.23 2cr6 s SER 105 CO 0.70 -0.18 0.52 0.54 0.98 0.00 0.00 173.24 175.79 2cr6 s VAL 106 N 2.67 0.03 -0.77 5.02 0.11 -1.26 -5.11 120.40 121.09 2cr6 s VAL 106 Ca -0.05 -0.24 -0.27 0.00 -2.93 0.00 0.00 61.98 58.49 2cr6 s VAL 106 Cb -0.10 -1.07 0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2cr6 s VAL 106 CO -0.18 -0.13 1.32 -0.36 -3.33 0.00 0.00 175.10 172.41 2cr6 s PHE 107 N -3.73 2.29 0.48 1.54 0.08 -1.26 -4.98 117.98 112.39 2cr6 s PHE 107 Ca 0.02 -0.11 -0.22 0.00 0.12 0.00 0.00 56.93 56.74 2cr6 s PHE 107 Cb 0.00 -4.62 -0.09 0.00 -0.57 0.00 0.00 43.02 37.74 2cr6 s PHE 107 CO -0.12 -2.07 0.91 0.43 -0.10 0.00 0.00 175.22 174.27 2cr6 n SER 108 N 9.45 0.73 -4.57 1.36 7.64 -1.26 -4.78 113.62 122.19 2cr6 n SER 108 Ca 0.07 0.93 -0.25 0.00 1.01 0.00 0.00 58.87 60.63 2cr6 n SER 108 Cb 0.49 -1.33 -0.06 0.00 -1.01 0.00 0.00 64.21 62.31 2cr6 n SER 108 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2cr6 s ARG 109 N -2.18 2.39 -0.34 1.43 3.52 -1.26 -4.89 118.95 117.63 2cr6 s ARG 109 Ca 0.67 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 2cr6 s ARG 109 Cb -0.51 -5.07 0.09 0.00 -1.56 0.00 0.00 34.95 27.89 2cr6 s ARG 109 CO 0.54 -3.70 0.06 0.45 -0.81 0.00 0.00 175.30 171.83 2cr6 s SER 110 N 7.98 4.87 -0.40 -2.12 0.15 -1.26 -4.96 113.70 117.95 2cr6 s SER 110 Ca 0.72 -1.85 0.02 0.00 0.70 0.00 0.00 55.95 55.54 2cr6 s SER 110 Cb -0.06 -1.68 0.27 0.00 -1.71 0.00 0.00 66.02 62.83 2cr6 s SER 110 CO 0.04 -0.37 1.09 0.61 1.20 0.00 0.00 173.24 175.81 2cr6 n GLY 111 N 4.43 -0.85 3.77 9.45 0.00 -1.26 -5.15 105.19 115.58 2cr6 n GLY 111 Ca -0.04 0.57 -0.37 0.00 0.00 0.00 0.00 46.02 46.19 2cr6 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr6 s PRO 112 N 0.36 3.76 0.22 1.61 0.04 -1.26 -4.95 135.00 134.78 2cr6 s PRO 112 Ca 0.28 1.77 -0.32 0.00 0.04 0.00 0.00 61.00 62.78 2cr6 s PRO 112 Cb 0.23 -2.41 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 2cr6 s PRO 112 CO -0.16 -0.55 1.67 0.43 0.04 0.00 0.00 177.00 178.43 2cr6 n SER 113 N -0.48 3.83 -4.48 6.66 7.64 -1.26 -5.00 113.62 120.53 2cr6 n SER 113 Ca 0.07 1.09 -0.29 0.00 1.01 0.00 0.00 58.87 60.74 2cr6 n SER 113 Cb 0.48 -1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 62.01 2cr6 n SER 113 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cr6 s SER 114 N 0.96 3.83 0.00 6.43 0.15 -1.26 -5.35 113.70 118.46 2cr6 s SER 114 Ca 0.73 -0.57 0.26 0.00 0.70 0.00 0.00 55.95 57.06 2cr6 s SER 114 Cb -0.53 -0.52 0.60 0.00 -1.71 0.00 0.00 66.02 63.87 2cr6 s SER 114 CO 0.37 0.18 1.49 0.61 1.20 0.00 0.00 173.24 177.10