#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 -0.45 -0.04 1.61 1.04 -1.26 -5.17 113.70 109.43 2cr6 s SER 2 Ca 0.00 -0.04 -0.00 0.00 0.48 0.00 0.00 55.95 56.39 2cr6 s SER 2 Cb 0.00 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2cr6 s SER 2 CO 0.00 -0.82 0.00 -0.55 0.98 0.00 0.00 173.24 172.85 2cr6 s SER 3 N -2.64 0.84 0.00 7.02 0.15 -1.26 -5.09 113.70 112.73 2cr6 s SER 3 Ca 0.04 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2cr6 s SER 3 Cb -0.01 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2cr6 s SER 3 CO -0.10 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2cr6 n GLY 4 N 4.51 2.15 2.38 9.45 0.00 -1.26 -4.99 105.19 117.43 2cr6 n GLY 4 Ca -0.19 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 2cr6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr6 n SER 5 N 0.00 -5.60 -2.10 1.61 7.64 -1.26 -4.87 113.62 109.05 2cr6 n SER 5 Ca 0.00 0.01 -0.20 0.00 1.01 0.00 0.00 58.87 59.69 2cr6 n SER 5 Cb 0.00 -4.65 0.18 0.00 -1.01 0.00 0.00 64.21 58.73 2cr6 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cr6 n SER 6 N -1.71 3.81 -2.17 6.43 2.88 -1.26 -4.93 113.62 116.67 2cr6 n SER 6 Ca -0.23 -3.42 -0.03 0.00 -1.33 0.00 0.00 58.87 53.86 2cr6 n SER 6 Cb 0.67 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2cr6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr6 n GLY 7 N -0.89 -2.00 2.98 0.46 0.00 -1.26 -5.08 105.19 99.40 2cr6 n GLY 7 Ca 0.52 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.83 2cr6 n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cr6 s LEU 8 N -1.46 0.71 -0.18 0.99 2.96 -1.26 -5.15 118.68 115.29 2cr6 s LEU 8 Ca 0.08 0.38 -0.16 0.00 -0.22 0.00 0.00 54.13 54.20 2cr6 s LEU 8 Cb -0.02 0.51 0.05 0.00 0.50 0.00 0.00 46.19 47.22 2cr6 s LEU 8 CO 0.40 -0.14 0.47 0.54 -1.32 0.00 0.00 176.35 176.30 2cr6 s VAL 9 N 1.05 -0.00 -0.25 1.68 0.11 -1.26 -5.08 120.40 116.66 2cr6 s VAL 9 Ca -0.08 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.69 2cr6 s VAL 9 Cb -0.10 -0.66 0.16 0.00 -1.53 0.00 0.00 36.38 34.25 2cr6 s VAL 9 CO -0.06 0.00 1.20 0.00 -3.33 0.00 0.00 175.10 172.91 2cr6 s GLN 10 N 0.28 0.32 0.00 1.54 -2.07 -1.26 -5.06 119.66 113.41 2cr6 s GLN 10 Ca -0.00 0.17 0.00 0.00 -1.82 0.00 0.00 55.36 53.71 2cr6 s GLN 10 Cb -0.03 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 32.04 2cr6 s GLN 10 CO 0.00 -0.08 0.00 0.41 -1.32 0.00 0.00 175.29 174.30 2cr6 n GLY 11 N 1.10 1.95 3.92 2.60 0.00 -1.26 -5.08 105.19 108.43 2cr6 n GLY 11 Ca -0.08 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 2cr6 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr6 s ARG 12 N 0.00 3.50 -0.24 1.61 0.52 -1.26 -5.09 118.95 117.99 2cr6 s ARG 12 Ca 0.00 -0.38 -0.05 0.00 -0.52 0.00 0.00 55.73 54.78 2cr6 s ARG 12 Cb 0.00 -2.91 -0.01 0.00 0.52 0.00 0.00 34.95 32.55 2cr6 s ARG 12 CO 0.00 0.48 0.00 0.50 0.02 0.00 0.00 175.30 176.30 2cr6 s ARG 13 N -3.04 3.41 0.04 3.54 6.06 -1.26 -4.81 118.95 122.89 2cr6 s ARG 13 Ca 0.37 -0.62 -0.15 0.00 -2.50 0.00 0.00 55.73 52.83 2cr6 s ARG 13 Cb -0.12 -3.13 -0.06 0.00 0.06 0.00 0.00 34.95 31.70 2cr6 s ARG 13 CO 0.28 -0.23 0.45 0.08 -2.50 0.00 0.00 175.30 173.38 2cr6 s VAL 14 N 1.51 4.96 -0.17 7.11 1.01 -1.26 -4.47 120.40 129.10 2cr6 s VAL 14 Ca 0.05 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 2cr6 s VAL 14 Cb -0.15 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.53 2cr6 s VAL 14 CO -0.01 0.52 -0.02 -1.00 0.00 0.00 0.00 175.10 174.59 2cr6 s HIS 15 N -1.15 1.40 -0.63 5.22 3.76 -1.04 -4.69 115.29 118.16 2cr6 s HIS 15 Ca 0.27 -0.94 -0.26 0.00 -0.15 0.00 0.00 55.06 53.98 2cr6 s HIS 15 Cb -0.17 -1.17 -0.08 0.00 1.11 0.00 0.00 32.58 32.27 2cr6 s HIS 15 CO 0.15 -0.59 2.29 0.42 -0.85 0.00 0.00 174.74 176.16 2cr6 s ILE 16 N 1.73 3.10 -0.02 0.60 -1.09 -1.26 -2.08 121.20 122.18 2cr6 s ILE 16 Ca 0.00 -0.00 -0.19 0.00 -2.23 0.00 0.00 60.65 58.23 2cr6 s ILE 16 Cb -0.16 -3.25 -0.11 0.00 -1.58 0.00 0.00 42.46 37.37 2cr6 s ILE 16 CO -0.07 -0.23 0.78 0.40 -1.23 0.00 0.00 174.94 174.58 2cr6 h ILE 17 N 7.53 0.02 -2.92 2.92 2.04 -1.04 -3.42 117.51 122.64 2cr6 h ILE 17 Ca -0.14 -0.51 -0.61 0.00 1.00 0.00 0.00 64.86 64.60 2cr6 h ILE 17 Cb 1.15 0.02 -0.40 0.00 -0.74 0.00 0.00 36.82 36.86 2cr6 h ILE 17 CO 1.13 0.00 -0.75 -1.61 0.00 0.00 0.00 178.15 176.92 2cr6 s GLU 18 N -3.75 1.33 0.67 2.37 2.02 0.78 -4.96 118.70 117.14 2cr6 s GLU 18 Ca -0.10 -2.10 -0.17 0.00 0.02 0.00 0.00 54.97 52.62 2cr6 s GLU 18 Cb 0.01 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.92 2cr6 s GLU 18 CO 0.30 -1.19 0.96 -3.47 0.02 0.00 0.00 175.26 171.88 2cr6 n ASP 19 N 3.36 0.59 -4.27 -0.19 2.03 -1.26 -1.53 116.55 115.28 2cr6 n ASP 19 Ca 0.12 0.73 -0.33 0.00 0.52 0.00 0.00 54.79 55.83 2cr6 n ASP 19 Cb 0.36 -1.40 0.16 0.00 -0.72 0.00 0.00 41.12 39.52 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 -1.25 -2.28 0.00 -2.67 4.77 -1.26 -4.87 117.00 109.44 2cr6 n LEU 20 Ca 0.13 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2cr6 n LEU 20 Cb 0.49 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2cr6 n LEU 20 CO 0.49 -3.08 0.00 -0.62 -1.33 0.00 0.00 177.39 172.84 2cr6 n GLU 21 N -1.78 0.00 0.00 3.23 1.02 -1.26 -4.84 120.64 117.01 2cr6 n GLU 21 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2cr6 n GLU 21 Cb 0.63 -0.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 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 -1.73 0.00 -3.77 1.62 5.75 -1.26 -3.95 116.55 113.21 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 0.03 -0.26 2.12 1.01 -0.75 -4.96 120.40 115.58 2cr6 s VAL 23 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 2cr6 s VAL 23 Cb 0.00 -0.51 0.15 0.00 0.00 0.00 0.00 36.38 36.02 2cr6 s VAL 23 CO 0.00 -0.12 0.40 1.51 0.00 0.00 0.00 175.10 176.89 2cr6 s ASP 24 N -0.48 0.22 0.10 3.32 -4.77 -1.25 -0.05 116.67 113.76 2cr6 s ASP 24 Ca -0.06 0.02 -0.10 0.00 -3.30 0.00 0.00 52.55 49.12 2cr6 s ASP 24 Cb -0.04 1.17 0.00 0.00 -1.09 0.00 0.00 42.92 42.96 2cr6 s ASP 24 CO 0.02 -0.32 0.22 0.68 0.70 0.00 0.00 175.17 176.48 2cr6 s VAL 25 N 2.56 0.13 0.31 2.11 -7.23 -1.15 -5.00 120.40 112.13 2cr6 s VAL 25 Ca 0.12 -1.13 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 2cr6 s VAL 25 Cb -0.14 -1.37 -0.11 0.00 0.56 0.00 0.00 36.38 35.32 2cr6 s VAL 25 CO -0.22 -0.58 1.52 0.00 -0.31 0.00 0.00 175.10 175.52 2cr6 s GLN 26 N -3.86 4.16 0.54 4.82 -2.07 -1.26 -2.78 119.66 119.20 2cr6 s GLN 26 Ca 0.06 2.51 -0.20 0.00 -1.82 0.00 0.00 55.36 55.91 2cr6 s GLN 26 Cb 0.04 -3.03 -0.08 0.00 -1.09 0.00 0.00 33.01 28.86 2cr6 s GLN 26 CO -0.10 -0.54 0.79 -0.85 -1.32 0.00 0.00 175.29 173.26 2cr6 n GLU 27 N 1.68 0.84 0.00 9.60 -0.00 0.96 -2.15 120.64 131.57 2cr6 n GLU 27 Ca 0.06 0.32 0.00 0.00 -0.00 0.00 0.00 57.16 57.53 2cr6 n GLU 27 Cb 0.39 -1.93 0.00 0.00 -0.00 0.00 0.00 31.44 29.90 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 1.47 3.10 2.18 -1.84 0.00 0.66 -4.60 105.19 106.16 2cr6 n GLY 28 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 0.10 -4.27 1.61 7.64 -0.91 -2.41 113.62 115.38 2cr6 n SER 29 Ca 0.00 -1.29 -0.41 0.00 1.01 0.00 0.00 58.87 58.18 2cr6 n SER 29 Cb 0.00 -0.56 -0.10 0.00 -1.01 0.00 0.00 64.21 62.54 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 -3.72 5.68 -0.13 6.43 1.04 -1.26 -3.21 113.70 118.52 2cr6 s SER 30 Ca 0.42 -1.54 -0.23 0.00 0.48 0.00 0.00 55.95 55.08 2cr6 s SER 30 Cb -0.01 -2.00 -0.03 0.00 0.10 0.00 0.00 66.02 64.08 2cr6 s SER 30 CO 0.30 -0.56 0.71 0.00 0.98 0.00 0.00 173.24 174.66 2cr6 s ALA 31 N 1.43 3.45 -0.11 5.32 0.00 -1.14 -4.84 121.76 125.88 2cr6 s ALA 31 Ca 0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 2cr6 s ALA 31 Cb -0.23 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 2cr6 s ALA 31 CO 0.02 -0.38 0.27 0.99 0.00 0.00 0.00 175.76 176.65 2cr6 s THR 32 N 1.49 5.30 -0.36 0.00 2.01 -1.25 -1.89 115.64 120.94 2cr6 s THR 32 Ca 0.35 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.86 2cr6 s THR 32 Cb -0.17 -3.57 0.11 0.00 0.01 0.00 0.00 72.50 68.88 2cr6 s THR 32 CO 0.14 0.52 0.15 -0.36 -0.69 0.00 0.00 174.62 174.38 2cr6 s PHE 33 N -0.43 1.74 0.19 4.92 0.08 -0.81 -4.89 117.98 118.77 2cr6 s PHE 33 Ca 0.18 -1.97 -0.16 0.00 0.12 0.00 0.00 56.93 55.09 2cr6 s PHE 33 Cb -0.14 -1.72 -0.08 0.00 -0.57 0.00 0.00 43.02 40.51 2cr6 s PHE 33 CO 0.06 -0.84 0.63 1.03 -0.10 0.00 0.00 175.22 176.00 2cr6 s ARG 34 N 1.15 4.09 -0.25 0.44 0.52 -1.26 -2.39 118.95 121.25 2cr6 s ARG 34 Ca 0.13 0.65 -0.16 0.00 -0.52 0.00 0.00 55.73 55.83 2cr6 s ARG 34 Cb -0.20 -2.88 0.07 0.00 0.52 0.00 0.00 34.95 32.46 2cr6 s ARG 34 CO -0.14 0.43 0.62 0.00 0.02 0.00 0.00 175.30 176.23 2cr6 s ARG 36 N 1.28 2.94 -0.06 0.00 3.52 -0.58 -1.45 118.95 124.60 2cr6 s ARG 36 Ca -0.07 -1.22 0.03 0.00 -0.13 0.00 0.00 55.73 54.34 2cr6 s ARG 36 Cb -0.06 -4.03 0.01 0.00 -1.56 0.00 0.00 34.95 29.31 2cr6 s ARG 36 CO -0.14 -0.90 -0.13 0.96 -0.81 0.00 0.00 175.30 174.29 2cr6 s ILE 37 N 1.64 1.17 0.29 4.11 -5.25 -0.81 -0.16 121.20 122.18 2cr6 s ILE 37 Ca 0.04 -0.52 -0.05 0.00 -0.99 0.00 0.00 60.65 59.13 2cr6 s ILE 37 Cb -0.22 -1.05 -0.05 0.00 2.95 0.00 0.00 42.46 44.09 2cr6 s ILE 37 CO 0.08 0.36 0.55 -0.55 -1.79 0.00 0.00 174.94 173.58 2cr6 s SER 38 N 0.46 6.45 0.57 4.36 0.15 -0.88 -3.99 113.70 120.82 2cr6 s SER 38 Ca -0.11 0.72 -0.18 0.00 0.70 0.00 0.00 55.95 57.07 2cr6 s SER 38 Cb -0.14 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2cr6 s SER 38 CO 0.03 -0.19 1.12 -2.16 1.20 0.00 0.00 173.24 173.24 2cr6 s PRO 39 N -3.52 3.23 0.57 5.44 0.04 -1.26 -2.50 135.00 136.99 2cr6 s PRO 39 Ca 0.44 1.56 0.29 0.00 0.04 0.00 0.00 61.00 63.33 2cr6 s PRO 39 Cb -0.11 -1.99 1.46 0.00 0.04 0.00 0.00 34.50 33.90 2cr6 s PRO 39 CO 0.30 -0.94 1.89 0.00 0.04 0.00 0.00 177.00 178.29 2cr6 h ALA 40 N 0.92 2.46 -0.96 8.56 0.00 -1.87 0.13 119.26 128.50 2cr6 h ALA 40 Ca -0.49 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 53.74 2cr6 h ALA 40 Cb 1.26 0.05 -0.32 0.00 0.00 0.00 0.00 17.79 18.77 2cr6 h ALA 40 CO 0.56 -0.87 0.47 0.09 0.00 0.00 0.00 179.25 179.51 2cr6 n ASN 41 N -3.96 7.00 -4.78 0.00 3.02 -1.26 -3.32 115.26 111.96 2cr6 n ASN 41 Ca 0.12 -3.78 -0.39 0.00 -0.03 0.00 0.00 54.58 50.50 2cr6 n ASN 41 Cb 0.78 -0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 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 -3.79 3.76 0.00 3.10 6.14 0.44 -5.04 117.35 121.96 2cr6 s TYR 42 Ca 0.60 1.30 0.00 0.00 0.64 0.00 0.00 57.07 59.61 2cr6 s TYR 42 Cb 0.48 -2.61 0.00 0.00 0.42 0.00 0.00 41.96 40.25 2cr6 s TYR 42 CO -0.04 0.45 0.00 -0.85 0.64 0.00 0.00 175.55 175.75 2cr6 n GLU 43 N 2.24 0.00 -1.09 4.97 0.28 -1.26 -4.73 120.64 121.05 2cr6 n GLU 43 Ca -0.08 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.63 2cr6 n GLU 43 Cb 0.51 0.00 0.23 0.00 1.43 0.00 0.00 31.44 33.61 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 -1.06 0.04 3.44 0.04 -1.26 -5.17 135.00 129.03 2cr6 s PRO 44 Ca 0.00 -0.01 0.08 0.00 0.04 0.00 0.00 61.00 61.11 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 -0.21 0.14 0.04 0.00 0.00 177.00 173.35 2cr6 s VAL 45 N -3.00 1.73 0.09 -0.36 -7.23 -1.26 -5.00 120.40 105.36 2cr6 s VAL 45 Ca 0.70 -1.23 0.04 0.00 -1.81 0.00 0.00 61.98 59.68 2cr6 s VAL 45 Cb -0.11 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 2cr6 s VAL 45 CO 0.56 0.22 0.04 -1.00 -0.31 0.00 0.00 175.10 174.62 2cr6 s HIS 46 N -0.80 3.10 -0.05 2.82 3.76 -1.16 -5.04 115.29 117.91 2cr6 s HIS 46 Ca 0.08 0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 55.00 2cr6 s HIS 46 Cb -0.09 -1.58 0.04 0.00 1.11 0.00 0.00 32.58 32.05 2cr6 s HIS 46 CO 0.02 0.50 0.09 -1.58 -0.85 0.00 0.00 174.74 172.92 2cr6 s TRP 47 N -1.36 -0.05 0.30 1.40 0.52 -1.26 -2.23 118.94 116.26 2cr6 s TRP 47 Ca 0.28 0.33 0.08 0.00 0.02 0.00 0.00 56.10 56.81 2cr6 s TRP 47 Cb -0.12 -0.26 -0.06 0.00 -1.15 0.00 0.00 33.47 31.88 2cr6 s TRP 47 CO 0.20 -0.17 -0.08 -0.06 0.02 0.00 0.00 176.95 176.87 2cr6 s PHE 48 N 1.58 2.10 -0.25 -1.98 0.40 -1.00 -0.15 117.98 118.68 2cr6 s PHE 48 Ca -0.04 -0.62 -0.04 0.00 -0.60 0.00 0.00 56.93 55.64 2cr6 s PHE 48 Cb -0.12 -1.19 0.10 0.00 0.51 0.00 0.00 43.02 42.32 2cr6 s PHE 48 CO -0.04 0.40 0.16 -1.17 0.70 0.00 0.00 175.22 175.26 2cr6 s LEU 49 N -3.50 0.31 0.00 -0.37 1.98 0.38 -0.09 118.68 117.39 2cr6 s LEU 49 Ca 0.30 -0.95 0.00 0.00 -2.89 0.00 0.00 54.13 50.60 2cr6 s LEU 49 Cb 0.03 -0.12 0.00 0.00 0.66 0.00 0.00 46.19 46.76 2cr6 s LEU 49 CO 0.13 -0.40 0.00 0.47 -1.89 0.00 0.00 176.35 174.66 2cr6 n ASP 50 N 5.27 0.00 -2.75 3.68 9.92 -0.98 -2.21 116.55 129.49 2cr6 n ASP 50 Ca -0.06 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.19 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 1.54 -3.70 -1.24 5.02 -1.26 -4.99 118.16 113.54 2cr6 n LYS 51 Ca 0.00 -2.31 -0.11 0.00 -2.02 0.00 0.00 58.31 53.87 2cr6 n LYS 51 Cb 0.00 -0.55 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.76 -0.01 0.93 -0.18 2.01 -0.94 -5.17 115.64 110.53 2cr6 s THR 52 Ca 0.18 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.11 2cr6 s THR 52 Cb 0.39 -0.67 0.15 0.00 0.01 0.00 0.00 72.50 72.37 2cr6 s THR 52 CO -0.09 0.02 1.09 -2.16 -0.69 0.00 0.00 174.62 172.80 2cr6 s PRO 53 N 1.00 0.97 -0.06 4.92 0.04 -1.26 -0.47 135.00 140.15 2cr6 s PRO 53 Ca -0.06 0.72 -0.02 0.00 0.04 0.00 0.00 61.00 61.67 2cr6 s PRO 53 Cb -0.06 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.73 2cr6 s PRO 53 CO -0.09 -2.41 0.13 -0.51 0.04 0.00 0.00 177.00 174.16 2cr6 s LEU 54 N -6.30 0.78 0.01 -3.56 1.43 0.78 -4.78 118.68 107.04 2cr6 s LEU 54 Ca 0.64 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 54.04 2cr6 s LEU 54 Cb -0.18 0.29 -0.01 0.00 0.03 0.00 0.00 46.19 46.32 2cr6 s LEU 54 CO 0.57 -0.14 -0.11 -1.00 0.23 0.00 0.00 176.35 175.89 2cr6 s HIS 55 N 1.15 1.01 0.23 0.29 3.76 -1.26 -4.16 115.29 116.31 2cr6 s HIS 55 Ca -0.09 -0.27 -0.31 0.00 -0.15 0.00 0.00 55.06 54.24 2cr6 s HIS 55 Cb -0.12 -0.63 -0.14 0.00 1.11 0.00 0.00 32.58 32.81 2cr6 s HIS 55 CO -0.05 -0.00 1.34 0.00 -0.85 0.00 0.00 174.74 175.17 2cr6 n ALA 56 N 2.36 0.67 -3.00 -1.40 0.00 -1.26 -4.61 120.51 113.27 2cr6 n ALA 56 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2cr6 n ALA 56 Cb 0.56 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 2.04 0.00 -0.15 0.00 5.15 0.35 -4.89 115.26 117.75 2cr6 n ASN 57 Ca 0.12 -0.93 0.26 0.00 -0.60 0.00 0.00 54.58 53.42 2cr6 n ASN 57 Cb 0.30 0.00 0.69 0.00 -0.53 0.00 0.00 39.78 40.24 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 0.05 0.00 1.20 4.81 -2.03 -2.97 114.58 115.65 2cr6 h GLU 58 Ca 0.00 -0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.91 2cr6 h GLU 58 Cb 0.00 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 2cr6 h GLU 58 CO 0.00 0.03 -2.09 1.28 -0.73 0.00 0.00 179.01 177.50 2cr6 n LEU 59 N -4.32 1.99 -4.73 1.64 4.77 -1.26 -4.98 117.00 110.10 2cr6 n LEU 59 Ca 0.17 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 2cr6 n LEU 59 Cb 0.86 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2cr6 n LEU 59 CO 0.37 0.56 0.91 0.20 -1.33 0.00 0.00 177.39 178.11 2cr6 s ASN 60 N -6.42 7.04 -0.06 -1.43 -0.87 -1.12 -2.48 114.94 109.60 2cr6 s ASN 60 Ca -0.27 2.25 0.02 0.00 -1.57 0.00 0.00 52.86 53.29 2cr6 s ASN 60 Cb 0.09 -2.60 0.02 0.00 -0.02 0.00 0.00 41.25 38.73 2cr6 s ASN 60 CO 0.38 -0.42 -0.09 -0.70 -2.57 0.00 0.00 177.10 173.69 2cr6 s GLU 61 N -0.05 1.39 -0.32 -0.60 -6.30 -0.90 -0.50 118.70 111.42 2cr6 s GLU 61 Ca 0.55 -0.30 -0.01 0.00 -2.50 0.00 0.00 54.97 52.71 2cr6 s GLU 61 Cb -0.33 -1.21 0.11 0.00 0.00 0.00 0.00 34.13 32.69 2cr6 s GLU 61 CO 0.36 -0.02 0.12 0.42 0.02 0.00 0.00 175.26 176.16 2cr6 s ILE 62 N 0.79 0.80 0.64 -3.70 1.01 -1.26 -0.06 121.20 119.42 2cr6 s ILE 62 Ca -0.13 -1.46 -0.06 0.00 0.00 0.00 0.00 60.65 58.99 2cr6 s ILE 62 Cb -0.15 -1.60 0.14 0.00 0.01 0.00 0.00 42.46 40.85 2cr6 s ILE 62 CO 0.02 -0.72 0.88 -0.67 0.00 0.00 0.00 174.94 174.45 2cr6 n ASP 63 N 4.72 0.54 -3.06 3.58 2.03 0.31 -4.95 116.55 119.72 2cr6 n ASP 63 Ca -0.01 -1.60 -0.18 0.00 0.52 0.00 0.00 54.79 53.52 2cr6 n ASP 63 Cb 0.41 -0.63 -0.02 0.00 -0.72 0.00 0.00 41.12 40.16 2cr6 n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cr6 n ALA 64 N -3.30 1.30 -0.80 -1.67 0.00 -1.26 -3.43 120.51 111.35 2cr6 n ALA 64 Ca -0.14 -2.85 -0.33 0.00 0.00 0.00 0.00 53.44 50.12 2cr6 n ALA 64 Cb 0.44 -0.97 0.12 0.00 0.00 0.00 0.00 19.45 19.04 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 0.96 -0.34 -2.24 0.00 6.02 0.81 -4.83 117.38 117.76 2cr6 n GLN 65 Ca 0.19 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.71 2cr6 n GLN 65 Cb 0.61 -1.82 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 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 -3.57 4.43 0.00 -1.09 0.04 -1.26 -2.79 135.00 130.76 2cr6 s PRO 66 Ca 0.56 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.66 2cr6 s PRO 66 Cb -0.21 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2cr6 s PRO 66 CO 0.68 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 178.01 2cr6 n GLY 67 N 1.50 0.93 2.12 0.56 0.00 -1.26 -4.23 105.19 104.80 2cr6 n GLY 67 Ca 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.12 0.41 3.42 -0.02 0.00 -1.21 -4.68 105.19 100.99 2cr6 n GLY 68 Ca 0.00 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.22 2.89 -0.51 1.61 1.51 -1.12 -1.92 117.35 117.59 2cr6 s TYR 69 Ca 0.00 -0.86 -0.22 0.00 -1.01 0.00 0.00 57.07 54.98 2cr6 s TYR 69 Cb 0.00 -4.16 0.04 0.00 -0.11 0.00 0.00 41.96 37.73 2cr6 s TYR 69 CO 0.00 -1.46 0.78 -1.01 -1.11 0.00 0.00 175.55 172.74 2cr6 s HIS 70 N 3.21 2.94 -0.05 2.71 3.76 -0.53 -0.13 115.29 127.20 2cr6 s HIS 70 Ca 0.19 -0.19 -0.16 0.00 -0.15 0.00 0.00 55.06 54.75 2cr6 s HIS 70 Cb -0.18 -3.75 -0.05 0.00 1.11 0.00 0.00 32.58 29.70 2cr6 s HIS 70 CO 0.06 -1.14 0.44 0.08 -0.85 0.00 0.00 174.74 173.32 2cr6 s VAL 71 N 3.28 5.09 -0.27 -0.90 1.01 -1.22 -3.20 120.40 124.19 2cr6 s VAL 71 Ca 0.24 0.88 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2cr6 s VAL 71 Cb -0.15 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.54 2cr6 s VAL 71 CO 0.17 0.46 -0.06 -0.22 0.00 0.00 0.00 175.10 175.45 2cr6 s LEU 72 N -0.28 3.32 -0.81 3.92 2.96 -1.01 -0.53 118.68 126.26 2cr6 s LEU 72 Ca 0.24 -1.45 -0.13 0.00 -0.22 0.00 0.00 54.13 52.57 2cr6 s LEU 72 Cb -0.16 -1.42 0.21 0.00 0.50 0.00 0.00 46.19 45.33 2cr6 s LEU 72 CO 0.12 -0.24 0.74 -0.89 -1.32 0.00 0.00 176.35 174.75 2cr6 s THR 73 N 1.18 5.48 -0.86 3.68 2.01 0.91 -1.93 115.64 126.11 2cr6 s THR 73 Ca -0.04 -2.48 -0.25 0.00 0.31 0.00 0.00 61.69 59.22 2cr6 s THR 73 Cb -0.19 -4.39 0.03 0.00 0.01 0.00 0.00 72.50 67.95 2cr6 s THR 73 CO -0.07 -1.01 1.42 -0.76 -0.69 0.00 0.00 174.62 173.51 2cr6 s LEU 74 N 0.18 3.31 0.56 4.42 1.43 -0.79 -2.11 118.68 125.68 2cr6 s LEU 74 Ca 0.17 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.31 2cr6 s LEU 74 Cb -0.11 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 2cr6 s LEU 74 CO -0.08 -1.78 0.98 -0.13 0.23 0.00 0.00 176.35 175.57 2cr6 s ARG 75 N 5.56 3.72 -0.96 1.70 0.52 -1.03 -2.88 118.95 125.57 2cr6 s ARG 75 Ca 0.43 0.76 -0.10 0.00 -0.52 0.00 0.00 55.73 56.30 2cr6 s ARG 75 Cb -0.05 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.27 2cr6 s ARG 75 CO 0.04 -0.41 0.75 1.04 0.02 0.00 0.00 175.30 176.74 2cr6 n GLN 76 N -2.23 -1.41 -2.45 3.54 6.02 -1.01 -4.68 117.38 115.15 2cr6 n GLN 76 Ca 0.06 0.83 -0.25 0.00 -0.01 0.00 0.00 57.00 57.63 2cr6 n GLN 76 Cb 0.54 -4.40 0.13 0.00 1.02 0.00 0.00 30.24 27.53 2cr6 n GLN 76 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2cr6 s LEU 77 N -5.42 2.91 0.06 1.08 1.43 -1.24 -4.39 118.68 113.11 2cr6 s LEU 77 Ca 0.26 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2cr6 s LEU 77 Cb -0.08 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2cr6 s LEU 77 CO 0.83 -2.10 0.06 0.00 0.23 0.00 0.00 176.35 175.36 2cr6 s ALA 78 N -3.32 0.19 0.64 4.21 0.00 -1.26 -0.25 121.76 121.97 2cr6 s ALA 78 Ca 0.69 -0.93 0.36 0.00 0.00 0.00 0.00 51.96 52.07 2cr6 s ALA 78 Cb -0.05 0.34 2.01 0.00 0.00 0.00 0.00 23.12 25.43 2cr6 s ALA 78 CO 0.46 -0.41 2.21 -0.07 0.00 0.00 0.00 175.76 177.96 2cr6 h LEU 79 N 3.07 0.00 -0.18 0.00 3.38 -1.89 0.15 115.31 119.83 2cr6 h LEU 79 Ca -0.34 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 2cr6 h LEU 79 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2cr6 h LEU 79 CO 0.61 0.00 -0.47 0.07 0.09 0.00 0.00 178.44 178.74 2cr6 h LYS 80 N 0.00 0.00 0.00 1.13 2.10 -1.95 -3.15 116.57 114.70 2cr6 h LYS 80 Ca 0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 2cr6 h LYS 80 Cb 0.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2cr6 h LYS 80 CO -0.00 0.47 -0.06 0.22 -2.00 0.00 0.00 179.45 178.08 2cr6 h ASP 81 N 0.00 0.00 -1.08 7.07 3.58 -1.07 -3.42 116.42 121.49 2cr6 h ASP 81 Ca -0.00 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.84 2cr6 h ASP 81 Cb 1.28 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 2cr6 h ASP 81 CO 0.06 0.06 1.51 -1.20 -2.88 0.00 0.00 179.24 176.79 2cr6 n SER 82 N -3.45 1.97 0.00 2.28 7.64 -1.19 -4.64 113.62 116.23 2cr6 n SER 82 Ca -0.02 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2cr6 n SER 82 Cb 0.19 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 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 6.41 1.88 3.11 0.23 0.00 -0.26 -4.98 105.19 111.57 2cr6 n GLY 83 Ca 0.43 0.24 -0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 2.04 -0.88 -0.02 2.61 2.01 -1.26 -2.28 115.64 117.87 2cr6 s THR 84 Ca 0.00 -0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.67 2cr6 s THR 84 Cb 0.00 -0.94 -0.10 0.00 0.01 0.00 0.00 72.50 71.47 2cr6 s THR 84 CO 0.00 -0.03 1.96 -0.38 -0.69 0.00 0.00 174.62 175.48 2cr6 n ILE 85 N 5.41 0.69 -3.58 1.82 2.08 -0.72 -2.31 119.36 122.75 2cr6 n ILE 85 Ca -0.02 -0.14 -0.39 0.00 0.56 0.00 0.00 62.75 62.76 2cr6 n ILE 85 Cb 0.51 -2.18 -0.06 0.00 -0.75 0.00 0.00 39.64 37.16 2cr6 n ILE 85 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 2cr6 s TYR 86 N 4.53 3.81 0.50 1.39 2.02 0.86 -2.53 117.35 127.94 2cr6 s TYR 86 Ca 0.91 -2.78 -0.22 0.00 -0.37 0.00 0.00 57.07 54.61 2cr6 s TYR 86 Cb -0.52 -3.38 -0.06 0.00 -0.40 0.00 0.00 41.96 37.60 2cr6 s TYR 86 CO 0.45 -0.82 1.21 0.12 -1.57 0.00 0.00 175.55 174.94 2cr6 s PHE 87 N -0.85 2.66 -0.03 2.71 5.36 -0.97 -2.36 117.98 124.51 2cr6 s PHE 87 Ca 0.24 1.50 0.03 0.00 -0.96 0.00 0.00 56.93 57.74 2cr6 s PHE 87 Cb -0.11 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.09 2cr6 s PHE 87 CO -0.09 -1.91 -0.11 -1.21 -1.46 0.00 0.00 175.22 170.44 2cr6 s GLU 88 N -2.88 1.14 -0.29 10.12 2.02 -0.95 -2.32 118.70 125.55 2cr6 s GLU 88 Ca 0.68 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 55.30 2cr6 s GLU 88 Cb -0.31 -1.04 0.20 0.00 0.10 0.00 0.00 34.13 33.07 2cr6 s GLU 88 CO 0.37 0.15 0.72 0.00 0.02 0.00 0.00 175.26 176.52 2cr6 s ALA 89 N 0.14 -2.86 0.00 5.21 0.00 -1.25 -3.01 121.76 119.99 2cr6 s ALA 89 Ca -0.03 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2cr6 s ALA 89 Cb -0.09 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2cr6 s ALA 89 CO 0.01 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.30 2cr6 n GLY 90 N 5.34 2.18 0.75 0.00 0.00 -1.26 -2.46 105.19 109.73 2cr6 n GLY 90 Ca 0.06 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 10.06 3.04 -4.08 1.61 2.03 -1.26 -4.97 116.55 122.98 2cr6 n ASP 91 Ca 0.00 -3.28 -0.23 0.00 0.52 0.00 0.00 54.79 51.80 2cr6 n ASP 91 Cb 0.00 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 39.83 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 -0.92 1.00 -3.29 -0.67 1.13 -1.03 -5.02 117.38 108.58 2cr6 n GLN 92 Ca 0.23 -2.75 0.03 0.00 -1.94 0.00 0.00 57.00 52.56 2cr6 n GLN 92 Cb 0.86 0.60 -0.04 0.00 0.11 0.00 0.00 30.24 31.77 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 -3.50 0.16 0.32 -1.09 3.52 -1.26 -3.81 118.95 113.30 2cr6 s ARG 93 Ca 0.08 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 2cr6 s ARG 93 Cb -0.01 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 2cr6 s ARG 93 CO 0.05 -0.06 0.51 0.00 -0.81 0.00 0.00 175.30 174.99 2cr6 s ALA 94 N 2.28 3.74 -0.08 6.12 0.00 -0.98 -4.93 121.76 127.92 2cr6 s ALA 94 Ca -0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 2cr6 s ALA 94 Cb -0.04 -2.05 0.04 0.00 0.00 0.00 0.00 23.12 21.08 2cr6 s ALA 94 CO -0.17 0.04 0.15 -1.54 0.00 0.00 0.00 175.76 174.25 2cr6 s SER 95 N -3.97 0.45 -0.00 0.00 1.04 -1.25 -2.29 113.70 107.67 2cr6 s SER 95 Ca 0.39 0.31 0.04 0.00 0.48 0.00 0.00 55.95 57.17 2cr6 s SER 95 Cb -0.10 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 2cr6 s SER 95 CO 0.35 -0.21 -0.12 0.00 0.98 0.00 0.00 173.24 174.23 2cr6 s ALA 96 N 1.89 1.00 -0.60 5.32 0.00 -1.05 -4.69 121.76 123.63 2cr6 s ALA 96 Ca -0.01 -0.54 -0.27 0.00 0.00 0.00 0.00 51.96 51.14 2cr6 s ALA 96 Cb -0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2cr6 s ALA 96 CO -0.06 0.24 1.76 0.00 0.00 0.00 0.00 175.76 177.70 2cr6 s ALA 97 N -0.34 2.33 -0.76 0.00 0.00 -1.25 -1.76 121.76 119.98 2cr6 s ALA 97 Ca 0.04 -0.66 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 2cr6 s ALA 97 Cb -0.05 -4.26 0.09 0.00 0.00 0.00 0.00 23.12 18.90 2cr6 s ALA 97 CO -0.00 -3.66 1.02 -1.17 0.00 0.00 0.00 175.76 171.94 2cr6 s LEU 98 N 8.32 4.67 -0.04 0.00 2.96 -0.96 -1.80 118.68 131.82 2cr6 s LEU 98 Ca 0.63 -1.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.03 2cr6 s LEU 98 Cb -0.13 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 2cr6 s LEU 98 CO 0.21 -1.29 0.28 -0.13 -1.32 0.00 0.00 176.35 174.11 2cr6 s ARG 99 N 3.50 3.67 -0.26 1.98 1.81 0.93 -1.11 118.95 129.48 2cr6 s ARG 99 Ca 0.26 0.12 -0.01 0.00 -1.72 0.00 0.00 55.73 54.37 2cr6 s ARG 99 Cb -0.13 -3.18 0.13 0.00 -0.45 0.00 0.00 34.95 31.33 2cr6 s ARG 99 CO 0.02 0.71 0.33 0.08 -0.68 0.00 0.00 175.30 175.76 2cr6 s VAL 100 N -1.11 -0.49 0.58 3.52 1.01 -1.26 -2.92 120.40 119.73 2cr6 s VAL 100 Ca 0.21 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2cr6 s VAL 100 Cb -0.14 -0.88 0.05 0.00 0.00 0.00 0.00 36.38 35.41 2cr6 s VAL 100 CO 0.10 -0.29 0.81 0.42 0.00 0.00 0.00 175.10 176.15 2cr6 s THR 101 N 2.44 2.54 1.08 3.92 -4.23 -1.12 -4.62 115.64 115.65 2cr6 s THR 101 Ca 0.10 -0.68 -0.18 0.00 -1.18 0.00 0.00 61.69 59.75 2cr6 s THR 101 Cb -0.14 -2.86 0.06 0.00 1.34 0.00 0.00 72.50 70.90 2cr6 s THR 101 CO -0.24 0.00 -0.05 -0.62 -0.54 0.00 0.00 174.62 173.17 2cr6 n GLU 102 N -2.42 -1.20 -4.22 3.99 1.02 -1.26 -0.03 120.64 116.52 2cr6 n GLU 102 Ca 0.10 -0.33 -0.16 0.00 -0.02 0.00 0.00 57.16 56.75 2cr6 n GLU 102 Cb 0.60 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 30.25 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 -3.34 0.98 0.00 3.49 0.00 -1.26 -4.04 119.74 115.57 2cr6 s LYS 103 Ca 0.54 -1.27 -0.24 0.00 0.00 0.00 0.00 55.97 55.00 2cr6 s LYS 103 Cb -0.12 -0.71 -0.18 0.00 0.00 0.00 0.00 37.83 36.82 2cr6 s LYS 103 CO 0.67 0.12 1.29 -1.00 0.00 0.00 0.00 175.35 176.43 2cr6 h PRO 104 N 3.32 0.14 -5.37 1.78 0.13 -1.96 -3.42 132.00 126.62 2cr6 h PRO 104 Ca -0.38 -0.07 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 2cr6 h PRO 104 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2cr6 h PRO 104 CO 0.55 0.59 0.05 0.45 -0.23 0.00 0.00 178.00 179.41 2cr6 s SER 105 N -5.86 6.39 0.38 1.44 0.15 -1.26 -5.03 113.70 109.91 2cr6 s SER 105 Ca -0.15 0.14 -0.25 0.00 0.70 0.00 0.00 55.95 56.39 2cr6 s SER 105 Cb 0.03 -2.30 -0.12 0.00 -1.71 0.00 0.00 66.02 61.92 2cr6 s SER 105 CO 0.70 -0.51 0.87 0.52 1.20 0.00 0.00 173.24 176.03 2cr6 n VAL 106 N 5.47 2.15 -3.88 4.45 0.31 -1.26 -4.98 118.33 120.60 2cr6 n VAL 106 Ca -0.03 -0.50 -0.04 0.00 -0.01 0.00 0.00 64.34 63.76 2cr6 n VAL 106 Cb 0.49 -0.92 0.02 0.00 -0.91 0.00 0.00 33.84 32.52 2cr6 n VAL 106 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2cr6 s PHE 107 N -1.26 0.08 0.33 3.52 0.08 -1.26 -5.15 117.98 114.31 2cr6 s PHE 107 Ca 0.62 -0.51 -0.05 0.00 0.12 0.00 0.00 56.93 57.11 2cr6 s PHE 107 Cb -0.62 0.72 0.02 0.00 -0.57 0.00 0.00 43.02 42.57 2cr6 s PHE 107 CO 0.58 -1.00 0.52 0.43 -0.10 0.00 0.00 175.22 175.65 2cr6 n SER 108 N -1.25 -1.48 -0.11 1.36 7.64 -1.26 -5.01 113.62 113.52 2cr6 n SER 108 Ca -0.03 -2.63 -0.22 0.00 1.01 0.00 0.00 58.87 57.00 2cr6 n SER 108 Cb 0.59 2.64 -0.11 0.00 -1.01 0.00 0.00 64.21 66.33 2cr6 n SER 108 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2cr6 n ARG 109 N -0.51 0.56 -3.15 1.43 3.00 -1.26 -4.68 116.66 112.05 2cr6 n ARG 109 Ca -0.02 0.55 0.04 0.00 -0.00 0.00 0.00 57.85 58.42 2cr6 n ARG 109 Cb 0.53 -1.72 -0.01 0.00 0.00 0.00 0.00 32.46 31.26 2cr6 n ARG 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2cr6 s SER 110 N -6.85 -1.12 0.00 6.15 1.04 -1.26 -5.00 113.70 106.66 2cr6 s SER 110 Ca -0.29 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2cr6 s SER 110 Cb 0.06 1.90 0.00 0.00 0.10 0.00 0.00 66.02 68.08 2cr6 s SER 110 CO 0.56 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2cr6 n GLY 111 N 5.42 0.76 0.17 7.32 0.00 -1.26 -5.01 105.19 112.61 2cr6 n GLY 111 Ca -0.01 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.50 2cr6 n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr6 h PRO 112 N 0.00 0.00 -6.88 1.61 0.13 -1.97 -3.44 132.00 121.45 2cr6 h PRO 112 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2cr6 h PRO 112 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2cr6 h PRO 112 CO 0.00 0.00 0.14 0.45 -0.23 0.00 0.00 178.00 178.36 2cr6 s SER 113 N -4.66 6.52 -0.62 1.44 0.15 -1.26 -4.98 113.70 110.30 2cr6 s SER 113 Ca 0.03 1.17 -0.04 0.00 0.70 0.00 0.00 55.95 57.81 2cr6 s SER 113 Cb 0.09 -2.34 0.11 0.00 -1.71 0.00 0.00 66.02 62.17 2cr6 s SER 113 CO 0.43 -0.42 2.62 -1.54 1.20 0.00 0.00 173.24 175.54 2cr6 n SER 114 N -1.34 6.80 0.00 5.45 3.41 -1.26 -5.19 113.62 121.49 2cr6 n SER 114 Ca 0.03 -3.28 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 2cr6 n SER 114 Cb 0.54 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2cr6 n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49