#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 -0.25 -0.16 1.61 0.15 -1.26 -5.18 113.70 108.61 2cr6 s SER 2 Ca 0.00 -0.44 -0.18 0.00 0.70 0.00 0.00 55.95 56.03 2cr6 s SER 2 Cb 0.00 0.59 0.05 0.00 -1.71 0.00 0.00 66.02 64.95 2cr6 s SER 2 CO 0.00 -1.08 0.49 -0.44 1.20 0.00 0.00 173.24 173.41 2cr6 s SER 3 N -2.89 -0.49 0.00 5.45 0.01 -1.26 -5.14 113.70 109.38 2cr6 s SER 3 Ca 0.11 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.25 2cr6 s SER 3 Cb -0.03 0.91 0.00 0.00 0.21 0.00 0.00 66.02 67.11 2cr6 s SER 3 CO 0.03 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2cr6 n GLY 4 N 2.53 3.81 3.12 3.44 0.00 -1.26 -5.18 105.19 111.66 2cr6 n GLY 4 Ca -0.15 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 2cr6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr6 s SER 5 N 0.00 0.09 -0.15 1.61 0.01 -1.26 -5.17 113.70 108.83 2cr6 s SER 5 Ca 0.00 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 2cr6 s SER 5 Cb 0.00 0.22 0.11 0.00 0.21 0.00 0.00 66.02 66.56 2cr6 s SER 5 CO 0.00 -0.45 0.89 -0.94 0.41 0.00 0.00 173.24 173.15 2cr6 s SER 6 N -1.77 -0.49 0.29 2.44 1.04 -1.26 -5.19 113.70 108.77 2cr6 s SER 6 Ca -0.10 0.61 -0.11 0.00 0.48 0.00 0.00 55.95 56.83 2cr6 s SER 6 Cb -0.04 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.58 2cr6 s SER 6 CO -0.02 -0.39 0.53 -0.83 0.98 0.00 0.00 173.24 173.51 2cr6 s GLY 7 N -0.90 0.70 0.29 7.32 0.00 -1.26 -5.19 107.32 108.28 2cr6 s GLY 7 Ca -0.04 -0.97 0.04 0.00 0.00 0.00 0.00 44.72 43.75 2cr6 s GLY 7 CO 0.03 -0.64 0.22 1.08 0.00 0.00 0.00 173.10 173.80 2cr6 s LEU 8 N -3.07 1.58 -0.29 0.66 1.43 -1.26 -5.18 118.68 112.56 2cr6 s LEU 8 Ca 0.23 -1.63 -0.23 0.00 -1.03 0.00 0.00 54.13 51.46 2cr6 s LEU 8 Cb -0.02 0.46 0.15 0.00 0.03 0.00 0.00 46.19 46.81 2cr6 s LEU 8 CO 0.12 -0.98 1.14 0.54 0.23 0.00 0.00 176.35 177.39 2cr6 s VAL 9 N -3.66 0.00 -0.16 -1.59 0.11 -1.26 -5.18 120.40 108.66 2cr6 s VAL 9 Ca 0.39 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.15 2cr6 s VAL 9 Cb 0.04 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 34.00 2cr6 s VAL 9 CO 0.22 0.00 0.94 0.00 -3.33 0.00 0.00 175.10 172.93 2cr6 s GLN 10 N 0.37 0.67 0.00 1.54 -2.07 -1.26 -5.03 119.66 113.87 2cr6 s GLN 10 Ca 0.02 0.24 0.00 0.00 -1.82 0.00 0.00 55.36 53.80 2cr6 s GLN 10 Cb -0.05 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 2cr6 s GLN 10 CO -0.10 -0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.09 2cr6 n GLY 11 N 0.98 0.56 3.58 2.60 0.00 -1.26 -5.03 105.19 106.62 2cr6 n GLY 11 Ca -0.12 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2cr6 n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cr6 s ARG 12 N 0.00 2.85 -0.04 1.61 6.06 -1.26 -4.92 118.95 123.25 2cr6 s ARG 12 Ca 0.00 1.65 -0.30 0.00 -2.50 0.00 0.00 55.73 54.58 2cr6 s ARG 12 Cb 0.00 -4.40 -0.04 0.00 0.06 0.00 0.00 34.95 30.57 2cr6 s ARG 12 CO 0.00 -2.43 1.26 0.50 -2.50 0.00 0.00 175.30 172.14 2cr6 s ARG 13 N 6.79 4.33 0.02 5.12 3.00 -1.26 -4.82 118.95 132.13 2cr6 s ARG 13 Ca 0.94 1.76 -0.20 0.00 -1.00 0.00 0.00 55.73 57.22 2cr6 s ARG 13 Cb -0.25 -3.57 -0.06 0.00 0.00 0.00 0.00 34.95 31.07 2cr6 s ARG 13 CO 0.31 -0.49 0.60 0.08 0.00 0.00 0.00 175.30 175.80 2cr6 s VAL 14 N 2.30 4.85 -0.23 7.11 1.01 -1.26 -4.55 120.40 129.63 2cr6 s VAL 14 Ca 0.58 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.84 2cr6 s VAL 14 Cb -0.27 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.23 2cr6 s VAL 14 CO 0.23 0.45 -0.09 -1.00 0.00 0.00 0.00 175.10 174.69 2cr6 s HIS 15 N -0.43 2.67 -0.62 5.22 3.76 -0.76 -4.68 115.29 120.45 2cr6 s HIS 15 Ca 0.31 -1.87 -0.26 0.00 -0.15 0.00 0.00 55.06 53.09 2cr6 s HIS 15 Cb -0.19 -1.71 -0.08 0.00 1.11 0.00 0.00 32.58 31.71 2cr6 s HIS 15 CO 0.18 -0.80 2.30 0.42 -0.85 0.00 0.00 174.74 175.99 2cr6 s ILE 16 N 1.31 3.09 -0.01 0.60 -1.09 -1.26 -2.14 121.20 121.69 2cr6 s ILE 16 Ca -0.05 0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.25 2cr6 s ILE 16 Cb -0.18 -3.22 -0.07 0.00 -1.58 0.00 0.00 42.46 37.41 2cr6 s ILE 16 CO -0.07 -0.21 0.68 0.40 -1.23 0.00 0.00 174.94 174.51 2cr6 h ILE 17 N 7.55 0.00 -3.03 2.92 2.04 -1.74 -3.41 117.51 121.84 2cr6 h ILE 17 Ca -0.15 -0.31 -0.62 0.00 1.00 0.00 0.00 64.86 64.77 2cr6 h ILE 17 Cb 1.16 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.83 2cr6 h ILE 17 CO 1.13 0.00 -0.66 -1.61 0.00 0.00 0.00 178.15 177.01 2cr6 s GLU 18 N -3.13 2.00 0.78 2.37 2.02 -0.06 -4.97 118.70 117.71 2cr6 s GLU 18 Ca -0.06 -2.86 -0.15 0.00 0.02 0.00 0.00 54.97 51.92 2cr6 s GLU 18 Cb 0.01 -2.97 0.02 0.00 0.10 0.00 0.00 34.13 31.29 2cr6 s GLU 18 CO 0.19 -1.25 0.86 -3.47 0.02 0.00 0.00 175.26 171.61 2cr6 n ASP 19 N 2.52 -0.09 -4.07 -0.19 -0.08 -1.26 -1.66 116.55 111.72 2cr6 n ASP 19 Ca 0.17 0.58 -0.29 0.00 -1.51 0.00 0.00 54.79 53.74 2cr6 n ASP 19 Cb 0.36 -1.37 0.19 0.00 2.34 0.00 0.00 41.12 42.65 2cr6 n ASP 19 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2cr6 n LEU 20 N -1.79 -1.93 0.00 -2.67 4.77 -1.26 -4.87 117.00 109.26 2cr6 n LEU 20 Ca 0.12 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2cr6 n LEU 20 Cb 0.50 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2cr6 n LEU 20 CO 0.49 -3.29 0.00 -0.62 -1.33 0.00 0.00 177.39 172.65 2cr6 n GLU 21 N -2.74 0.00 0.00 3.23 1.02 -1.26 -4.86 120.64 116.03 2cr6 n GLU 21 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2cr6 n GLU 21 Cb 0.56 -0.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 2cr6 n GLU 21 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2cr6 n ASP 22 N -1.58 0.00 -3.75 1.62 5.75 -1.26 -3.94 116.55 113.39 2cr6 n ASP 22 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 2cr6 n ASP 22 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 2cr6 n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2cr6 s VAL 23 N -2.00 0.02 -0.26 2.12 1.01 -0.77 -4.96 120.40 115.56 2cr6 s VAL 23 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2cr6 s VAL 23 Cb 0.00 -0.56 0.15 0.00 0.00 0.00 0.00 36.38 35.97 2cr6 s VAL 23 CO 0.00 -0.11 0.40 1.51 0.00 0.00 0.00 175.10 176.90 2cr6 s ASP 24 N -0.50 0.19 0.12 3.32 -4.77 -1.25 -0.19 116.67 113.60 2cr6 s ASP 24 Ca -0.06 0.04 -0.11 0.00 -3.30 0.00 0.00 52.55 49.12 2cr6 s ASP 24 Cb -0.04 1.18 0.01 0.00 -1.09 0.00 0.00 42.92 42.98 2cr6 s ASP 24 CO 0.02 -0.32 0.28 0.68 0.70 0.00 0.00 175.17 176.54 2cr6 s VAL 25 N 2.56 0.10 0.30 2.11 -7.23 -1.15 -4.99 120.40 112.10 2cr6 s VAL 25 Ca 0.12 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 2cr6 s VAL 25 Cb -0.14 -1.38 -0.11 0.00 0.56 0.00 0.00 36.38 35.31 2cr6 s VAL 25 CO -0.21 -0.47 1.51 0.00 -0.31 0.00 0.00 175.10 175.61 2cr6 s GLN 26 N -3.86 4.18 0.52 4.82 -2.07 -1.26 -2.39 119.66 119.60 2cr6 s GLN 26 Ca 0.06 2.46 -0.21 0.00 -1.82 0.00 0.00 55.36 55.86 2cr6 s GLN 26 Cb 0.03 -3.04 -0.08 0.00 -1.09 0.00 0.00 33.01 28.83 2cr6 s GLN 26 CO -0.09 -0.51 0.85 -0.85 -1.32 0.00 0.00 175.29 173.36 2cr6 n GLU 27 N 1.83 0.94 0.00 9.60 -0.00 0.97 -2.32 120.64 131.68 2cr6 n GLU 27 Ca 0.06 0.35 0.00 0.00 -0.00 0.00 0.00 57.16 57.57 2cr6 n GLU 27 Cb 0.39 -1.97 0.00 0.00 -0.00 0.00 0.00 31.44 29.86 2cr6 n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cr6 n GLY 28 N 1.40 2.20 1.95 -1.84 0.00 0.47 -4.55 105.19 104.82 2cr6 n GLY 28 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.32 -4.27 1.61 7.64 -0.98 -2.51 113.62 115.43 2cr6 n SER 29 Ca 0.00 -1.39 -0.40 0.00 1.01 0.00 0.00 58.87 58.10 2cr6 n SER 29 Cb 0.00 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.66 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 -3.28 5.59 -0.16 6.43 1.04 -1.26 -2.65 113.70 119.41 2cr6 s SER 30 Ca 0.36 -1.44 -0.19 0.00 0.48 0.00 0.00 55.95 55.15 2cr6 s SER 30 Cb -0.01 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.10 2cr6 s SER 30 CO 0.25 -0.50 0.55 0.00 0.98 0.00 0.00 173.24 174.51 2cr6 s ALA 31 N 1.42 3.50 -0.10 5.32 0.00 -1.09 -4.83 121.76 125.99 2cr6 s ALA 31 Ca 0.03 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 2cr6 s ALA 31 Cb -0.22 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 2cr6 s ALA 31 CO 0.02 -0.32 0.22 0.99 0.00 0.00 0.00 175.76 176.68 2cr6 s THR 32 N 1.34 5.36 -0.37 0.00 2.01 -1.25 -1.51 115.64 121.23 2cr6 s THR 32 Ca 0.27 0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.67 2cr6 s THR 32 Cb -0.16 -3.50 0.12 0.00 0.01 0.00 0.00 72.50 68.97 2cr6 s THR 32 CO 0.11 0.58 0.17 -0.36 -0.69 0.00 0.00 174.62 174.43 2cr6 s PHE 33 N -0.83 1.75 0.17 4.92 0.08 -0.76 -4.90 117.98 118.40 2cr6 s PHE 33 Ca 0.17 -2.04 -0.19 0.00 0.12 0.00 0.00 56.93 54.99 2cr6 s PHE 33 Cb -0.13 -1.72 -0.08 0.00 -0.57 0.00 0.00 43.02 40.52 2cr6 s PHE 33 CO 0.06 -0.83 0.66 1.03 -0.10 0.00 0.00 175.22 176.04 2cr6 s ARG 34 N 1.00 4.22 -0.29 0.44 0.52 -1.26 -2.74 118.95 120.84 2cr6 s ARG 34 Ca 0.14 0.79 -0.16 0.00 -0.52 0.00 0.00 55.73 55.99 2cr6 s ARG 34 Cb -0.21 -3.01 0.14 0.00 0.52 0.00 0.00 34.95 32.39 2cr6 s ARG 34 CO -0.11 0.48 0.93 0.00 0.02 0.00 0.00 175.30 176.62 2cr6 s ARG 36 N 1.53 4.16 -0.03 0.00 3.52 -0.66 -1.59 118.95 125.87 2cr6 s ARG 36 Ca -0.09 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 2cr6 s ARG 36 Cb -0.04 -3.48 0.03 0.00 -1.56 0.00 0.00 34.95 29.89 2cr6 s ARG 36 CO -0.16 0.14 -0.00 0.96 -0.81 0.00 0.00 175.30 175.43 2cr6 s ILE 37 N 0.80 0.20 0.22 4.11 -5.25 -1.15 -0.88 121.20 119.25 2cr6 s ILE 37 Ca 0.12 0.07 -0.07 0.00 -0.99 0.00 0.00 60.65 59.77 2cr6 s ILE 37 Cb -0.13 -0.28 -0.06 0.00 2.95 0.00 0.00 42.46 44.93 2cr6 s ILE 37 CO 0.03 0.15 0.50 -0.55 -1.79 0.00 0.00 174.94 173.28 2cr6 s SER 38 N 0.98 6.54 0.40 4.36 0.15 -0.91 -3.65 113.70 121.57 2cr6 s SER 38 Ca -0.10 0.78 -0.25 0.00 0.70 0.00 0.00 55.95 57.07 2cr6 s SER 38 Cb -0.13 -2.17 -0.08 0.00 -1.71 0.00 0.00 66.02 61.92 2cr6 s SER 38 CO -0.02 -0.07 1.19 -2.16 1.20 0.00 0.00 173.24 173.39 2cr6 s PRO 39 N -2.96 4.04 0.60 5.44 0.04 -1.26 -1.83 135.00 139.06 2cr6 s PRO 39 Ca 0.45 1.89 0.29 0.00 0.04 0.00 0.00 61.00 63.66 2cr6 s PRO 39 Cb -0.11 -2.69 1.51 0.00 0.04 0.00 0.00 34.50 33.25 2cr6 s PRO 39 CO 0.24 -0.34 1.92 0.00 0.04 0.00 0.00 177.00 178.86 2cr6 h ALA 40 N 2.65 2.05 -0.84 8.56 0.00 -1.87 0.22 119.26 130.04 2cr6 h ALA 40 Ca -0.49 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 53.93 2cr6 h ALA 40 Cb 1.24 0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.80 2cr6 h ALA 40 CO 0.62 -0.63 0.61 0.09 0.00 0.00 0.00 179.25 179.95 2cr6 n ASN 41 N -3.65 4.90 -4.74 0.00 3.02 -1.26 -3.81 115.26 109.72 2cr6 n ASN 41 Ca 0.06 -3.42 -0.38 0.00 -0.03 0.00 0.00 54.58 50.81 2cr6 n ASN 41 Cb 0.60 -0.86 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 2cr6 n ASN 41 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2cr6 s TYR 42 N -2.91 3.56 0.00 3.10 6.14 0.76 -5.04 117.35 122.97 2cr6 s TYR 42 Ca 0.50 0.97 0.00 0.00 0.64 0.00 0.00 57.07 59.18 2cr6 s TYR 42 Cb 0.41 -2.56 0.00 0.00 0.42 0.00 0.00 41.96 40.23 2cr6 s TYR 42 CO 0.06 0.23 0.00 -0.85 0.64 0.00 0.00 175.55 175.63 2cr6 n GLU 43 N 3.37 0.00 -1.09 4.97 0.28 -1.26 -4.72 120.64 122.18 2cr6 n GLU 43 Ca -0.07 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.63 2cr6 n GLU 43 Cb 0.52 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 -1.01 0.12 3.44 0.04 -1.26 -5.17 135.00 129.16 2cr6 s PRO 44 Ca 0.00 0.01 0.11 0.00 0.04 0.00 0.00 61.00 61.16 2cr6 s PRO 44 Cb 0.00 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 2cr6 s PRO 44 CO 0.00 -3.58 -0.27 0.14 0.04 0.00 0.00 177.00 173.33 2cr6 s VAL 45 N -3.00 2.25 0.02 -0.36 -7.23 -1.26 -5.02 120.40 105.80 2cr6 s VAL 45 Ca 0.70 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 59.18 2cr6 s VAL 45 Cb -0.11 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2cr6 s VAL 45 CO 0.56 0.12 -0.02 -1.00 -0.31 0.00 0.00 175.10 174.45 2cr6 s HIS 46 N -1.03 3.00 -0.04 2.82 3.76 -1.14 -5.04 115.29 117.61 2cr6 s HIS 46 Ca 0.14 0.02 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 31.99 2cr6 s HIS 46 CO 0.06 0.44 -0.01 -1.58 -0.85 0.00 0.00 174.74 172.79 2cr6 s TRP 47 N -1.11 0.52 0.24 1.40 0.52 -1.26 -1.74 118.94 117.51 2cr6 s TRP 47 Ca 0.20 -0.09 0.07 0.00 0.02 0.00 0.00 56.10 56.30 2cr6 s TRP 47 Cb -0.11 -0.57 -0.05 0.00 -1.15 0.00 0.00 33.47 31.58 2cr6 s TRP 47 CO 0.11 -0.19 -0.10 -0.06 0.02 0.00 0.00 176.95 176.73 2cr6 s PHE 48 N 1.19 1.83 -0.24 -1.98 0.40 -1.18 -0.09 117.98 117.91 2cr6 s PHE 48 Ca -0.07 -0.64 -0.04 0.00 -0.60 0.00 0.00 56.93 55.57 2cr6 s PHE 48 Cb -0.14 -0.95 0.08 0.00 0.51 0.00 0.00 43.02 42.53 2cr6 s PHE 48 CO -0.02 0.31 0.11 -1.17 0.70 0.00 0.00 175.22 175.15 2cr6 s LEU 49 N -3.38 0.54 0.00 -0.37 1.98 -0.15 -0.10 118.68 117.20 2cr6 s LEU 49 Ca 0.26 -1.02 0.00 0.00 -2.89 0.00 0.00 54.13 50.48 2cr6 s LEU 49 Cb 0.02 -0.33 0.00 0.00 0.66 0.00 0.00 46.19 46.53 2cr6 s LEU 49 CO 0.09 -0.40 0.00 0.47 -1.89 0.00 0.00 176.35 174.62 2cr6 n ASP 50 N 5.24 0.00 -2.74 3.68 9.92 -0.93 -2.19 116.55 129.53 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 0.09 0.00 -0.64 0.00 0.00 41.12 41.02 2cr6 n ASP 50 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2cr6 n LYS 51 N 0.00 1.48 -3.69 -1.24 5.02 -1.26 -5.01 118.16 113.46 2cr6 n LYS 51 Ca 0.00 -2.28 -0.11 0.00 -2.02 0.00 0.00 58.31 53.91 2cr6 n LYS 51 Cb 0.00 -0.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.40 2cr6 n LYS 51 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2cr6 s THR 52 N -1.59 -0.02 0.57 -0.18 2.01 -0.93 -5.16 115.64 110.34 2cr6 s THR 52 Ca 0.18 0.07 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 2cr6 s THR 52 Cb 0.40 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 2cr6 s THR 52 CO -0.08 0.03 1.12 -2.16 -0.69 0.00 0.00 174.62 172.84 2cr6 s PRO 53 N 1.23 3.21 -0.06 4.92 0.04 -1.26 -0.98 135.00 142.09 2cr6 s PRO 53 Ca -0.08 1.55 0.03 0.00 0.04 0.00 0.00 61.00 62.54 2cr6 s PRO 53 Cb -0.07 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.48 2cr6 s PRO 53 CO -0.11 -0.95 -0.15 -0.51 0.04 0.00 0.00 177.00 175.32 2cr6 s LEU 54 N -4.09 1.78 0.02 -3.56 1.43 0.88 -4.87 118.68 110.27 2cr6 s LEU 54 Ca 0.71 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 2cr6 s LEU 54 Cb -0.23 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 2cr6 s LEU 54 CO 0.31 0.09 -0.09 -1.00 0.23 0.00 0.00 176.35 175.88 2cr6 s HIS 55 N 0.40 0.81 0.32 0.29 3.76 -1.26 -4.17 115.29 115.42 2cr6 s HIS 55 Ca -0.11 -0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.24 2cr6 s HIS 55 Cb -0.14 -0.50 -0.11 0.00 1.11 0.00 0.00 32.58 32.94 2cr6 s HIS 55 CO 0.03 -0.02 1.58 0.00 -0.85 0.00 0.00 174.74 175.49 2cr6 n ALA 56 N 2.32 2.56 -3.00 -1.40 0.00 -1.26 -4.61 120.51 115.12 2cr6 n ALA 56 Ca -0.17 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2cr6 n ALA 56 Cb 0.56 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2cr6 n ALA 56 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2cr6 n ASN 57 N 1.76 0.00 -0.24 0.00 6.94 -0.80 -4.91 115.26 118.00 2cr6 n ASN 57 Ca 0.07 -0.75 0.29 0.00 -0.02 0.00 0.00 54.58 54.17 2cr6 n ASN 57 Cb 0.37 0.00 0.69 0.00 -2.36 0.00 0.00 39.78 38.48 2cr6 n ASN 57 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2cr6 h GLU 58 N 0.00 0.08 0.00 -3.83 4.81 -1.99 -3.13 114.58 110.53 2cr6 h GLU 58 Ca 0.00 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2cr6 h GLU 58 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2cr6 h GLU 58 CO 0.00 0.05 -1.00 1.28 -0.73 0.00 0.00 179.01 178.62 2cr6 n LEU 59 N -4.31 1.86 -4.74 1.64 4.77 -1.26 -4.99 117.00 109.96 2cr6 n LEU 59 Ca 0.21 0.31 -0.38 0.00 -0.03 0.00 0.00 56.01 56.13 2cr6 n LEU 59 Cb 1.00 -0.70 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2cr6 n LEU 59 CO 0.37 -0.27 0.96 0.20 -1.33 0.00 0.00 177.39 177.32 2cr6 s ASN 60 N -6.00 5.09 -0.03 -1.43 -0.87 -1.18 -3.17 114.94 107.34 2cr6 s ASN 60 Ca -0.27 2.71 -0.01 0.00 -1.57 0.00 0.00 52.86 53.72 2cr6 s ASN 60 Cb 0.04 -2.63 0.03 0.00 -0.02 0.00 0.00 41.25 38.67 2cr6 s ASN 60 CO 0.39 -1.69 0.05 -1.61 -2.57 0.00 0.00 177.10 171.67 2cr6 s GLU 61 N -3.05 -0.04 -0.30 -0.60 8.01 -0.99 -1.91 118.70 119.82 2cr6 s GLU 61 Ca 0.75 0.25 -0.01 0.00 0.01 0.00 0.00 54.97 55.97 2cr6 s GLU 61 Cb -0.39 -0.30 0.10 0.00 -4.31 0.00 0.00 34.13 29.23 2cr6 s GLU 61 CO 0.45 -0.21 0.10 0.42 0.01 0.00 0.00 175.26 176.03 2cr6 s ILE 62 N 1.34 0.77 0.56 -1.63 1.01 -1.26 -0.07 121.20 121.92 2cr6 s ILE 62 Ca -0.06 -1.29 -0.05 0.00 0.00 0.00 0.00 60.65 59.25 2cr6 s ILE 62 Cb -0.13 -1.57 0.12 0.00 0.01 0.00 0.00 42.46 40.89 2cr6 s ILE 62 CO -0.03 -0.65 0.76 -0.67 0.00 0.00 0.00 174.94 174.35 2cr6 n ASP 63 N 4.90 0.52 -3.02 3.58 -0.08 0.31 -4.95 116.55 117.80 2cr6 n ASP 63 Ca -0.03 -1.56 -0.17 0.00 -1.51 0.00 0.00 54.79 51.53 2cr6 n ASP 63 Cb 0.42 -0.54 -0.01 0.00 2.34 0.00 0.00 41.12 43.33 2cr6 n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2cr6 n ALA 64 N -3.22 0.99 -0.78 -1.67 0.00 -1.26 -3.58 120.51 110.98 2cr6 n ALA 64 Ca -0.12 -2.67 -0.33 0.00 0.00 0.00 0.00 53.44 50.32 2cr6 n ALA 64 Cb 0.39 -1.01 0.13 0.00 0.00 0.00 0.00 19.45 18.95 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 1.04 -0.42 -2.22 0.00 6.02 0.25 -4.84 117.38 117.20 2cr6 n GLN 65 Ca 0.17 -0.08 -0.41 0.00 -0.01 0.00 0.00 57.00 56.66 2cr6 n GLN 65 Cb 0.61 -1.84 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 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 4.39 0.00 -1.09 0.04 -1.26 -2.85 135.00 130.61 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 -0.20 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2cr6 s PRO 66 CO 0.67 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.88 2cr6 n GLY 67 N 2.33 0.98 2.02 0.56 0.00 -1.26 -4.23 105.19 105.59 2cr6 n GLY 67 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.03 0.43 3.55 -0.02 0.00 -1.22 -4.71 105.19 101.19 2cr6 n GLY 68 Ca 0.00 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.02 2.38 -0.41 1.61 1.51 -1.13 -2.95 117.35 116.34 2cr6 s TYR 69 Ca 0.00 -0.37 -0.24 0.00 -1.01 0.00 0.00 57.07 55.44 2cr6 s TYR 69 Cb 0.00 -4.66 0.02 0.00 -0.11 0.00 0.00 41.96 37.21 2cr6 s TYR 69 CO 0.00 -2.02 0.86 -1.01 -1.11 0.00 0.00 175.55 172.27 2cr6 s HIS 70 N 5.44 3.02 -0.17 2.71 3.76 -0.62 -0.59 115.29 128.85 2cr6 s HIS 70 Ca 0.40 0.49 -0.07 0.00 -0.15 0.00 0.00 55.06 55.72 2cr6 s HIS 70 Cb -0.05 -3.68 -0.04 0.00 1.11 0.00 0.00 32.58 29.92 2cr6 s HIS 70 CO 0.05 -0.91 0.07 0.08 -0.85 0.00 0.00 174.74 173.18 2cr6 s VAL 71 N 3.42 4.90 -0.29 -0.90 1.01 -1.23 -2.79 120.40 124.52 2cr6 s VAL 71 Ca 0.34 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.35 2cr6 s VAL 71 Cb -0.12 -3.19 0.08 0.00 0.00 0.00 0.00 36.38 33.15 2cr6 s VAL 71 CO 0.21 0.49 -0.03 -0.22 0.00 0.00 0.00 175.10 175.55 2cr6 s LEU 72 N 0.05 3.65 -0.86 3.92 2.96 -1.11 -0.53 118.68 126.76 2cr6 s LEU 72 Ca 0.06 -1.63 -0.12 0.00 -0.22 0.00 0.00 54.13 52.22 2cr6 s LEU 72 Cb -0.12 -1.46 0.22 0.00 0.50 0.00 0.00 46.19 45.33 2cr6 s LEU 72 CO 0.01 -0.28 0.80 -0.89 -1.32 0.00 0.00 176.35 174.67 2cr6 s THR 73 N 1.12 5.52 -0.83 3.68 2.01 0.89 -1.83 115.64 126.21 2cr6 s THR 73 Ca -0.00 -2.68 -0.25 0.00 0.31 0.00 0.00 61.69 59.06 2cr6 s THR 73 Cb -0.19 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 67.92 2cr6 s THR 73 CO -0.07 -1.04 1.64 -0.76 -0.69 0.00 0.00 174.62 173.69 2cr6 s LEU 74 N -0.10 3.28 0.34 4.42 1.43 -0.57 -2.36 118.68 125.12 2cr6 s LEU 74 Ca 0.20 -0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 52.46 2cr6 s LEU 74 Cb -0.11 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.46 2cr6 s LEU 74 CO -0.09 -2.13 0.93 -0.13 0.23 0.00 0.00 176.35 175.17 2cr6 s ARG 75 N 6.19 4.48 -0.78 1.70 0.52 -1.19 -2.66 118.95 127.20 2cr6 s ARG 75 Ca 0.55 1.24 -0.01 0.00 -0.52 0.00 0.00 55.73 56.99 2cr6 s ARG 75 Cb -0.07 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 2cr6 s ARG 75 CO 0.05 0.21 0.71 1.04 0.02 0.00 0.00 175.30 177.34 2cr6 n GLN 76 N 0.28 -1.42 -1.93 3.54 6.02 -1.05 -4.55 117.38 118.29 2cr6 n GLN 76 Ca 0.03 1.35 -0.18 0.00 -0.01 0.00 0.00 57.00 58.19 2cr6 n GLN 76 Cb 0.51 -5.39 0.10 0.00 1.02 0.00 0.00 30.24 26.48 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 -2.03 0.00 -3.93 1.08 4.77 -1.21 -4.71 117.00 110.97 2cr6 n LEU 77 Ca -0.04 -1.46 -0.09 0.00 -0.03 0.00 0.00 56.01 54.39 2cr6 n LEU 77 Cb 0.53 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2cr6 n LEU 77 CO 0.55 -0.93 -0.20 0.00 -1.33 0.00 0.00 177.39 175.49 2cr6 s ALA 78 N -3.25 -0.01 0.64 -1.18 0.00 -1.26 -0.40 121.76 116.31 2cr6 s ALA 78 Ca 0.50 -0.71 0.37 0.00 0.00 0.00 0.00 51.96 52.12 2cr6 s ALA 78 Cb -0.03 0.34 2.05 0.00 0.00 0.00 0.00 23.12 25.49 2cr6 s ALA 78 CO 0.34 -0.40 2.23 -0.07 0.00 0.00 0.00 175.76 177.85 2cr6 h LEU 79 N 3.19 0.00 -0.23 0.00 3.38 -1.87 0.23 115.31 120.01 2cr6 h LEU 79 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2cr6 h LEU 79 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2cr6 h LEU 79 CO 0.56 0.00 0.00 0.07 0.09 0.00 0.00 178.44 179.16 2cr6 h LYS 80 N 0.00 0.00 0.00 1.13 2.10 -1.95 -3.10 116.57 114.75 2cr6 h LYS 80 Ca 0.02 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.64 2cr6 h LYS 80 Cb 0.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2cr6 h LYS 80 CO -0.00 0.00 -0.13 0.22 -2.00 0.00 0.00 179.45 177.54 2cr6 h ASP 81 N 0.00 0.00 -1.11 7.07 3.58 -0.92 -3.43 116.42 121.61 2cr6 h ASP 81 Ca 0.00 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.85 2cr6 h ASP 81 Cb 0.88 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 2cr6 h ASP 81 CO 0.00 0.13 1.51 -1.20 -2.88 0.00 0.00 179.24 176.80 2cr6 n SER 82 N -3.26 2.00 0.00 2.28 7.64 -1.17 -4.62 113.62 116.49 2cr6 n SER 82 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2cr6 n SER 82 Cb 0.39 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 2cr6 n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr6 n GLY 83 N 6.39 1.42 3.29 0.23 0.00 0.46 -4.96 105.19 112.02 2cr6 n GLY 83 Ca 0.43 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 2.05 -0.94 -0.00 2.61 2.01 -1.26 -1.93 115.64 118.18 2cr6 s THR 84 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 2cr6 s THR 84 Cb 0.00 -0.96 -0.08 0.00 0.01 0.00 0.00 72.50 71.47 2cr6 s THR 84 CO 0.00 -0.01 1.90 -0.63 -0.69 0.00 0.00 174.62 175.20 2cr6 s ILE 85 N 2.83 3.16 -0.98 1.82 -1.09 -0.77 -2.19 121.20 123.98 2cr6 s ILE 85 Ca 0.10 0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.68 2cr6 s ILE 85 Cb -0.14 -3.13 0.25 0.00 -1.58 0.00 0.00 42.46 37.86 2cr6 s ILE 85 CO -0.19 -0.02 0.96 -1.22 -1.23 0.00 0.00 174.94 173.23 2cr6 n TYR 86 N 7.68 4.37 -1.57 3.97 4.01 0.86 -2.59 117.16 133.89 2cr6 n TYR 86 Ca 0.20 -3.92 -0.37 0.00 -0.16 0.00 0.00 57.90 53.65 2cr6 n TYR 86 Cb 0.42 -1.31 0.07 0.00 -0.31 0.00 0.00 39.34 38.22 2cr6 n TYR 86 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2cr6 n PHE 87 N 2.25 1.31 -4.22 -0.72 7.35 -1.20 -3.09 117.46 119.14 2cr6 n PHE 87 Ca 0.23 0.42 -0.18 0.00 -0.76 0.00 0.00 57.45 57.16 2cr6 n PHE 87 Cb 0.37 -2.18 -0.15 0.00 0.35 0.00 0.00 39.48 37.87 2cr6 n PHE 87 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2cr6 s GLU 88 N -3.28 0.65 -0.31 -4.13 2.02 -0.71 -2.51 118.70 110.44 2cr6 s GLU 88 Ca 0.78 -0.19 -0.04 0.00 0.02 0.00 0.00 54.97 55.55 2cr6 s GLU 88 Cb -0.37 -0.64 0.19 0.00 0.10 0.00 0.00 34.13 33.40 2cr6 s GLU 88 CO 0.45 0.07 0.85 0.00 0.02 0.00 0.00 175.26 176.65 2cr6 s ALA 89 N 0.23 -3.38 0.00 5.21 0.00 -1.25 -2.89 121.76 119.67 2cr6 s ALA 89 Ca -0.03 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2cr6 s ALA 89 Cb -0.07 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.31 2cr6 s ALA 89 CO -0.00 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.12 2cr6 n GLY 90 N 5.05 2.07 0.55 0.00 0.00 -1.26 -3.01 105.19 108.59 2cr6 n GLY 90 Ca 0.08 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 9.51 3.22 -3.90 1.61 2.03 -1.26 -5.01 116.55 122.75 2cr6 n ASP 91 Ca 0.00 -3.06 -0.20 0.00 0.52 0.00 0.00 54.79 52.04 2cr6 n ASP 91 Cb 0.00 -0.50 -0.02 0.00 -0.72 0.00 0.00 41.12 39.88 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 -0.91 1.04 -3.20 -0.67 1.13 -1.16 -5.02 117.38 108.58 2cr6 n GLN 92 Ca 0.19 -2.46 0.04 0.00 -1.94 0.00 0.00 57.00 52.83 2cr6 n GLN 92 Cb 0.79 0.46 -0.03 0.00 0.11 0.00 0.00 30.24 31.57 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 -3.42 0.15 0.85 -1.09 3.52 -1.26 -3.89 118.95 113.83 2cr6 s ARG 93 Ca 0.11 0.32 -0.13 0.00 -0.13 0.00 0.00 55.73 55.90 2cr6 s ARG 93 Cb -0.01 0.19 0.12 0.00 -1.56 0.00 0.00 34.95 33.69 2cr6 s ARG 93 CO 0.07 -0.12 1.22 0.00 -0.81 0.00 0.00 175.30 175.66 2cr6 s ALA 94 N 2.67 2.55 -0.28 6.12 0.00 -1.04 -4.89 121.76 126.88 2cr6 s ALA 94 Ca -0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2cr6 s ALA 94 Cb -0.07 -2.86 0.16 0.00 0.00 0.00 0.00 23.12 20.35 2cr6 s ALA 94 CO -0.13 -1.91 0.56 -1.54 0.00 0.00 0.00 175.76 172.74 2cr6 s SER 95 N -4.69 -0.99 -0.01 0.00 1.04 -1.25 -3.26 113.70 104.54 2cr6 s SER 95 Ca 0.66 0.93 0.06 0.00 0.48 0.00 0.00 55.95 58.08 2cr6 s SER 95 Cb -0.08 1.97 -0.01 0.00 0.10 0.00 0.00 66.02 67.99 2cr6 s SER 95 CO 0.50 -0.26 -0.19 0.00 0.98 0.00 0.00 173.24 174.27 2cr6 s ALA 96 N 2.80 1.59 -0.62 5.32 0.00 -1.07 -4.79 121.76 125.00 2cr6 s ALA 96 Ca 0.12 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 50.99 2cr6 s ALA 96 Cb -0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 2cr6 s ALA 96 CO -0.19 0.39 1.90 0.00 0.00 0.00 0.00 175.76 177.86 2cr6 s ALA 97 N -0.45 2.11 -0.91 0.00 0.00 -1.25 -1.84 121.76 119.40 2cr6 s ALA 97 Ca 0.07 -0.65 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 2cr6 s ALA 97 Cb -0.07 -4.32 0.11 0.00 0.00 0.00 0.00 23.12 18.83 2cr6 s ALA 97 CO -0.01 -3.99 1.17 -1.17 0.00 0.00 0.00 175.76 171.77 2cr6 s LEU 98 N 9.35 4.65 -0.02 0.00 2.96 -0.81 -1.85 118.68 132.97 2cr6 s LEU 98 Ca 0.69 -1.79 -0.15 0.00 -0.22 0.00 0.00 54.13 52.66 2cr6 s LEU 98 Cb -0.13 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 2cr6 s LEU 98 CO 0.20 -1.20 0.41 -0.13 -1.32 0.00 0.00 176.35 174.31 2cr6 s ARG 99 N 3.32 3.98 -0.30 1.98 0.52 0.73 -0.40 118.95 128.78 2cr6 s ARG 99 Ca 0.34 0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 55.95 2cr6 s ARG 99 Cb -0.05 -3.25 0.13 0.00 0.52 0.00 0.00 34.95 32.30 2cr6 s ARG 99 CO -0.07 0.62 0.26 0.08 0.02 0.00 0.00 175.30 176.21 2cr6 s VAL 100 N -0.84 -0.30 0.81 3.52 1.01 -1.26 -2.93 120.40 120.41 2cr6 s VAL 100 Ca 0.24 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 2cr6 s VAL 100 Cb -0.16 -0.96 0.18 0.00 0.00 0.00 0.00 36.38 35.44 2cr6 s VAL 100 CO 0.13 -0.56 1.10 0.35 0.00 0.00 0.00 175.10 176.11 2cr6 n THR 101 N 5.14 0.00 -0.66 3.92 -2.24 -1.01 -4.61 114.28 114.83 2cr6 n THR 101 Ca -0.01 -0.91 -0.28 0.00 -2.27 0.00 0.00 64.05 60.58 2cr6 n THR 101 Cb 0.45 -1.49 0.24 0.00 -2.10 0.00 0.00 70.33 67.43 2cr6 n THR 101 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr6 s GLU 102 N -5.37 -0.88 0.07 -0.78 2.02 -1.26 -0.02 118.70 112.48 2cr6 s GLU 102 Ca 0.63 0.70 0.00 0.00 0.02 0.00 0.00 54.97 56.33 2cr6 s GLU 102 Cb -0.02 -1.57 -0.04 0.00 0.10 0.00 0.00 34.13 32.60 2cr6 s GLU 102 CO 0.44 -3.66 -0.05 -1.59 0.02 0.00 0.00 175.26 170.42 2cr6 s LYS 103 N -4.58 0.71 0.06 1.61 0.00 -1.26 -3.86 119.74 112.42 2cr6 s LYS 103 Ca 0.68 -1.24 -0.18 0.00 0.00 0.00 0.00 55.97 55.23 2cr6 s LYS 103 Cb -0.23 -0.01 -0.12 0.00 0.00 0.00 0.00 37.83 37.46 2cr6 s LYS 103 CO 0.63 -0.06 1.38 -1.00 0.00 0.00 0.00 175.35 176.30 2cr6 h PRO 104 N 3.15 0.50 -2.70 1.78 0.13 -1.97 -3.47 132.00 129.42 2cr6 h PRO 104 Ca -0.35 -0.26 -0.10 0.00 -0.87 0.00 0.00 66.00 64.42 2cr6 h PRO 104 Cb 1.16 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 2cr6 h PRO 104 CO 0.64 0.84 -0.13 0.45 -0.23 0.00 0.00 178.00 179.57 2cr6 s SER 105 N -6.30 -0.35 -0.08 1.44 0.15 -1.26 -5.17 113.70 102.13 2cr6 s SER 105 Ca -0.13 0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.56 2cr6 s SER 105 Cb 0.07 0.44 0.09 0.00 -1.71 0.00 0.00 66.02 64.91 2cr6 s SER 105 CO 0.78 -0.46 0.82 0.54 1.20 0.00 0.00 173.24 176.12 2cr6 s VAL 106 N -1.13 0.00 0.00 4.45 0.11 -1.26 -4.97 120.40 117.60 2cr6 s VAL 106 Ca -0.11 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2cr6 s VAL 106 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2cr6 s VAL 106 CO 0.05 0.00 0.00 0.33 -3.33 0.00 0.00 175.10 172.15 2cr6 n PHE 107 N 0.68 0.00 -3.87 1.54 7.35 -1.26 -5.10 117.46 116.79 2cr6 n PHE 107 Ca -0.15 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.55 2cr6 n PHE 107 Cb 0.58 -0.27 0.01 0.00 0.35 0.00 0.00 39.48 40.15 2cr6 n PHE 107 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2cr6 n SER 108 N -1.51 -0.50 -3.52 -2.13 2.88 -1.26 -5.12 113.62 102.45 2cr6 n SER 108 Ca 0.00 -1.13 -0.29 0.00 -1.33 0.00 0.00 58.87 56.12 2cr6 n SER 108 Cb 0.00 0.78 -0.13 0.00 -0.75 0.00 0.00 64.21 64.11 2cr6 n SER 108 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2cr6 s ARG 109 N -2.01 0.56 -0.07 -1.46 3.52 -1.26 -4.85 118.95 113.37 2cr6 s ARG 109 Ca 0.12 -1.20 -0.30 0.00 -0.13 0.00 0.00 55.73 54.21 2cr6 s ARG 109 Cb -0.00 -1.43 0.11 0.00 -1.56 0.00 0.00 34.95 32.07 2cr6 s ARG 109 CO 0.00 -1.15 0.94 0.45 -0.81 0.00 0.00 175.30 174.73 2cr6 s SER 110 N 1.26 -0.37 0.38 -2.12 0.15 -1.26 -5.14 113.70 106.61 2cr6 s SER 110 Ca 0.15 0.18 0.07 0.00 0.70 0.00 0.00 55.95 57.06 2cr6 s SER 110 Cb -0.21 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2cr6 s SER 110 CO -0.09 -0.50 0.53 -0.83 1.20 0.00 0.00 173.24 173.55 2cr6 s GLY 111 N -1.90 1.81 -1.08 9.45 0.00 -1.26 -4.98 107.32 109.36 2cr6 s GLY 111 Ca 0.02 -1.59 -0.23 0.00 0.00 0.00 0.00 44.72 42.92 2cr6 s GLY 111 CO -0.04 -1.44 1.94 2.56 0.00 0.00 0.00 173.10 176.11 2cr6 s PRO 112 N -4.27 2.52 -0.29 2.90 0.04 -1.26 -4.82 135.00 129.82 2cr6 s PRO 112 Ca 0.51 -0.84 -0.20 0.00 0.04 0.00 0.00 61.00 60.51 2cr6 s PRO 112 Cb -0.10 -5.18 0.15 0.00 0.04 0.00 0.00 34.50 29.41 2cr6 s PRO 112 CO 0.32 -3.75 1.07 -1.54 0.04 0.00 0.00 177.00 173.14 2cr6 s SER 113 N 7.07 -0.41 -0.05 6.66 1.04 -1.26 -5.10 113.70 121.65 2cr6 s SER 113 Ca 0.69 0.70 -0.03 0.00 0.48 0.00 0.00 55.95 57.79 2cr6 s SER 113 Cb -0.03 0.96 -0.01 0.00 0.10 0.00 0.00 66.02 67.04 2cr6 s SER 113 CO 0.08 -0.12 -0.06 0.28 0.98 0.00 0.00 173.24 174.40 2cr6 h SER 114 N 5.02 0.00 0.00 7.02 0.02 -2.06 -3.53 113.55 120.02 2cr6 h SER 114 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2cr6 h SER 114 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2cr6 h SER 114 CO 0.17 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.74