#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 5.80 0.56 1.61 0.15 -1.26 -5.07 113.70 115.49 2cr6 s SER 2 Ca 0.00 1.65 0.05 0.00 0.70 0.00 0.00 55.95 58.36 2cr6 s SER 2 Cb 0.00 -2.51 0.06 0.00 -1.71 0.00 0.00 66.02 61.87 2cr6 s SER 2 CO 0.00 -1.15 0.77 -0.94 1.20 0.00 0.00 173.24 173.12 2cr6 s SER 3 N -3.39 5.14 0.00 5.45 1.04 -1.26 -4.84 113.70 115.84 2cr6 s SER 3 Ca 0.60 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2cr6 s SER 3 Cb -0.14 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.71 2cr6 s SER 3 CO 0.45 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2cr6 n GLY 4 N -2.28 3.47 3.74 7.32 0.00 -1.26 -4.93 105.19 111.25 2cr6 n GLY 4 Ca 0.12 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 2cr6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cr6 n SER 5 N 0.00 -3.50 -4.64 1.61 2.88 -1.26 -4.89 113.62 103.82 2cr6 n SER 5 Ca 0.00 -0.74 -0.43 0.00 -1.33 0.00 0.00 58.87 56.37 2cr6 n SER 5 Cb 0.00 -4.26 -0.02 0.00 -0.75 0.00 0.00 64.21 59.18 2cr6 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cr6 s SER 6 N -3.79 6.57 0.61 -3.46 0.15 -1.26 -4.80 113.70 107.72 2cr6 s SER 6 Ca 0.35 1.60 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2cr6 s SER 6 Cb -0.17 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2cr6 s SER 6 CO 0.80 -1.10 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2cr6 n GLY 7 N 4.35 0.16 3.77 9.45 0.00 -1.26 -4.76 105.19 116.90 2cr6 n GLY 7 Ca 0.17 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 2cr6 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cr6 s LEU 8 N 0.00 4.40 -0.25 0.99 1.43 -1.26 -5.04 118.68 118.95 2cr6 s LEU 8 Ca 0.00 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.22 2cr6 s LEU 8 Cb 0.00 -3.86 0.07 0.00 0.03 0.00 0.00 46.19 42.43 2cr6 s LEU 8 CO 0.00 -0.23 -0.03 -0.69 0.23 0.00 0.00 176.35 175.63 2cr6 s VAL 9 N -1.38 1.50 0.44 -1.59 1.01 -1.26 -5.12 120.40 114.01 2cr6 s VAL 9 Ca 0.49 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 2cr6 s VAL 9 Cb -0.27 -1.83 -0.08 0.00 0.00 0.00 0.00 36.38 34.21 2cr6 s VAL 9 CO 0.34 -0.18 1.16 0.00 0.00 0.00 0.00 175.10 176.41 2cr6 s GLN 10 N 1.39 3.84 0.00 2.72 -2.07 -1.26 -4.96 119.66 119.32 2cr6 s GLN 10 Ca -0.03 1.76 0.00 0.00 -1.82 0.00 0.00 55.36 55.27 2cr6 s GLN 10 Cb -0.19 -2.46 0.00 0.00 -1.09 0.00 0.00 33.01 29.27 2cr6 s GLN 10 CO -0.08 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 173.82 2cr6 n GLY 11 N 0.46 2.44 3.78 2.60 0.00 -1.26 -5.14 105.19 108.07 2cr6 n GLY 11 Ca 0.07 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 3.79 4.19 0.12 1.61 3.00 -1.26 -5.04 118.95 125.36 2cr6 s ARG 12 Ca 0.00 0.55 -0.31 0.00 -1.00 0.00 0.00 55.73 54.97 2cr6 s ARG 12 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 34.95 31.55 2cr6 s ARG 12 CO 0.00 0.45 1.46 0.50 0.00 0.00 0.00 175.30 177.70 2cr6 s ARG 13 N -0.36 4.28 -0.11 5.12 3.00 -1.26 -4.79 118.95 124.82 2cr6 s ARG 13 Ca 0.27 2.17 -0.06 0.00 -1.00 0.00 0.00 55.73 57.11 2cr6 s ARG 13 Cb -0.17 -3.26 -0.04 0.00 0.00 0.00 0.00 34.95 31.49 2cr6 s ARG 13 CO 0.14 -0.51 0.12 0.08 0.00 0.00 0.00 175.30 175.13 2cr6 s VAL 14 N 1.27 5.36 -0.20 7.11 1.01 -1.26 -4.39 120.40 129.30 2cr6 s VAL 14 Ca 0.67 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 2cr6 s VAL 14 Cb -0.39 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 32.72 2cr6 s VAL 14 CO 0.30 0.61 -0.03 -1.00 0.00 0.00 0.00 175.10 174.99 2cr6 s HIS 15 N -1.02 1.75 -0.60 5.22 3.76 -1.05 -4.64 115.29 118.72 2cr6 s HIS 15 Ca 0.15 -1.26 -0.26 0.00 -0.15 0.00 0.00 55.06 53.54 2cr6 s HIS 15 Cb -0.12 -1.32 -0.10 0.00 1.11 0.00 0.00 32.58 32.15 2cr6 s HIS 15 CO 0.04 -0.67 2.42 -0.89 -0.85 0.00 0.00 174.74 174.79 2cr6 n ILE 16 N 4.85 -0.06 0.14 0.60 2.08 -1.26 -2.32 119.36 123.39 2cr6 n ILE 16 Ca -0.11 -0.70 -0.06 0.00 0.56 0.00 0.00 62.75 62.44 2cr6 n ILE 16 Cb 0.46 -2.52 -0.03 0.00 -0.75 0.00 0.00 39.64 36.81 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 7.71 0.00 -3.05 1.39 2.04 -1.34 -3.41 117.51 120.84 2cr6 h ILE 17 Ca -0.16 -0.32 -0.62 0.00 1.00 0.00 0.00 64.86 64.76 2cr6 h ILE 17 Cb 1.18 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.85 2cr6 h ILE 17 CO 1.11 0.00 -0.67 -1.61 0.00 0.00 0.00 178.15 176.98 2cr6 s GLU 18 N -2.95 1.90 0.65 2.37 2.02 0.76 -4.96 118.70 118.51 2cr6 s GLU 18 Ca -0.06 -2.73 -0.17 0.00 0.02 0.00 0.00 54.97 52.03 2cr6 s GLU 18 Cb 0.01 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.27 2cr6 s GLU 18 CO 0.17 -1.23 0.73 -3.47 0.02 0.00 0.00 175.26 171.48 2cr6 n ASP 19 N 2.69 -0.31 -4.26 -0.19 2.03 -1.26 -1.30 116.55 113.95 2cr6 n ASP 19 Ca 0.15 0.70 -0.33 0.00 0.52 0.00 0.00 54.79 55.83 2cr6 n ASP 19 Cb 0.36 -1.29 0.15 0.00 -0.72 0.00 0.00 41.12 39.62 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 -0.49 -2.18 0.00 -2.67 4.77 -1.26 -4.84 117.00 110.33 2cr6 n LEU 20 Ca 0.12 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2cr6 n LEU 20 Cb 0.49 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2cr6 n LEU 20 CO 0.50 -3.17 0.00 -0.62 -1.33 0.00 0.00 177.39 172.77 2cr6 n GLU 21 N -1.52 0.00 0.00 3.23 1.02 -1.26 -4.83 120.64 117.28 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 0.62 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 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 -1.69 0.00 -3.75 1.62 5.68 -1.26 -4.03 116.55 113.13 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 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 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 0.03 -0.27 2.12 1.01 -0.84 -4.97 120.40 115.48 2cr6 s VAL 23 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2cr6 s VAL 23 Cb 0.00 -0.57 0.16 0.00 0.00 0.00 0.00 36.38 35.96 2cr6 s VAL 23 CO 0.00 -0.11 0.43 1.51 0.00 0.00 0.00 175.10 176.93 2cr6 s ASP 24 N -0.51 -0.01 0.10 3.32 -4.77 -1.25 -0.11 116.67 113.44 2cr6 s ASP 24 Ca -0.06 0.01 -0.10 0.00 -3.30 0.00 0.00 52.55 49.10 2cr6 s ASP 24 Cb -0.04 1.29 0.01 0.00 -1.09 0.00 0.00 42.92 43.09 2cr6 s ASP 24 CO 0.02 -0.32 0.25 0.68 0.70 0.00 0.00 175.17 176.50 2cr6 s VAL 25 N 2.60 0.12 0.30 2.11 -7.23 -1.16 -4.99 120.40 112.16 2cr6 s VAL 25 Ca 0.12 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 2cr6 s VAL 25 Cb -0.14 -1.33 -0.11 0.00 0.56 0.00 0.00 36.38 35.36 2cr6 s VAL 25 CO -0.24 -0.55 1.55 0.00 -0.31 0.00 0.00 175.10 175.55 2cr6 s GLN 26 N -3.85 4.14 0.54 4.82 -2.07 -1.26 -2.50 119.66 119.48 2cr6 s GLN 26 Ca 0.05 2.53 -0.20 0.00 -1.82 0.00 0.00 55.36 55.93 2cr6 s GLN 26 Cb 0.04 -3.02 -0.08 0.00 -1.09 0.00 0.00 33.01 28.86 2cr6 s GLN 26 CO -0.11 -0.58 0.80 -0.85 -1.32 0.00 0.00 175.29 173.24 2cr6 n GLU 27 N 1.85 0.84 0.00 9.60 -0.00 0.94 -2.21 120.64 131.66 2cr6 n GLU 27 Ca 0.06 0.32 0.00 0.00 -0.00 0.00 0.00 57.16 57.54 2cr6 n GLU 27 Cb 0.38 -1.94 0.00 0.00 -0.00 0.00 0.00 31.44 29.88 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 1.46 2.50 2.14 -1.84 0.00 0.61 -4.59 105.19 105.47 2cr6 n GLY 28 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 0.26 -4.27 1.61 7.64 -0.94 -2.10 113.62 115.82 2cr6 n SER 29 Ca 0.00 -1.37 -0.41 0.00 1.01 0.00 0.00 58.87 58.10 2cr6 n SER 29 Cb 0.00 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.60 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 -3.56 5.70 -0.11 6.43 1.04 -1.26 -2.75 113.70 119.19 2cr6 s SER 30 Ca 0.40 -1.59 -0.22 0.00 0.48 0.00 0.00 55.95 55.02 2cr6 s SER 30 Cb -0.01 -2.01 -0.03 0.00 0.10 0.00 0.00 66.02 64.06 2cr6 s SER 30 CO 0.28 -0.59 0.66 0.00 0.98 0.00 0.00 173.24 174.57 2cr6 s ALA 31 N 1.43 3.42 -0.16 5.32 0.00 -1.11 -4.83 121.76 125.83 2cr6 s ALA 31 Ca 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 2cr6 s ALA 31 Cb -0.24 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2cr6 s ALA 31 CO 0.02 -0.23 0.12 0.99 0.00 0.00 0.00 175.76 176.66 2cr6 s THR 32 N 1.12 5.36 -0.37 0.00 2.01 -1.25 -1.67 115.64 120.83 2cr6 s THR 32 Ca 0.34 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.51 2cr6 s THR 32 Cb -0.17 -3.38 0.11 0.00 0.01 0.00 0.00 72.50 69.07 2cr6 s THR 32 CO 0.15 0.54 0.14 -0.36 -0.69 0.00 0.00 174.62 174.39 2cr6 s PHE 33 N -0.36 2.35 0.17 4.92 0.08 -0.85 -4.89 117.98 119.40 2cr6 s PHE 33 Ca 0.11 -2.33 -0.21 0.00 0.12 0.00 0.00 56.93 54.62 2cr6 s PHE 33 Cb -0.12 -2.12 -0.08 0.00 -0.57 0.00 0.00 43.02 40.14 2cr6 s PHE 33 CO 0.01 -0.85 0.70 1.03 -0.10 0.00 0.00 175.22 176.01 2cr6 s ARG 34 N 0.94 4.35 -0.22 0.44 0.52 -1.26 -2.86 118.95 120.86 2cr6 s ARG 34 Ca 0.13 0.94 -0.26 0.00 -0.52 0.00 0.00 55.73 56.01 2cr6 s ARG 34 Cb -0.20 -3.10 0.07 0.00 0.52 0.00 0.00 34.95 32.24 2cr6 s ARG 34 CO -0.12 0.52 0.72 0.00 0.02 0.00 0.00 175.30 176.44 2cr6 s ARG 36 N 0.00 3.21 -0.03 0.00 3.52 -0.42 -1.61 118.95 123.62 2cr6 s ARG 36 Ca -0.02 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 2cr6 s ARG 36 Cb -0.04 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.17 2cr6 s ARG 36 CO 0.03 -0.33 -0.05 0.96 -0.81 0.00 0.00 175.30 175.10 2cr6 s ILE 37 N 1.48 0.53 0.25 4.11 -5.25 -0.92 -0.17 121.20 121.23 2cr6 s ILE 37 Ca 0.04 -0.19 -0.03 0.00 -0.99 0.00 0.00 60.65 59.48 2cr6 s ILE 37 Cb -0.16 -0.51 -0.05 0.00 2.95 0.00 0.00 42.46 44.69 2cr6 s ILE 37 CO -0.00 0.19 0.48 -0.55 -1.79 0.00 0.00 174.94 173.27 2cr6 s SER 38 N 0.48 6.43 0.61 4.36 0.15 -0.98 -3.99 113.70 120.76 2cr6 s SER 38 Ca -0.06 0.59 -0.17 0.00 0.70 0.00 0.00 55.95 57.01 2cr6 s SER 38 Cb -0.10 -2.09 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 2cr6 s SER 38 CO 0.00 -0.12 1.12 -2.16 1.20 0.00 0.00 173.24 173.28 2cr6 s PRO 39 N -3.40 3.01 0.61 5.44 0.04 -1.26 -2.54 135.00 136.91 2cr6 s PRO 39 Ca 0.42 1.47 0.30 0.00 0.04 0.00 0.00 61.00 63.23 2cr6 s PRO 39 Cb -0.11 -1.97 1.64 0.00 0.04 0.00 0.00 34.50 34.10 2cr6 s PRO 39 CO 0.29 -1.09 2.01 0.00 0.04 0.00 0.00 177.00 178.24 2cr6 h ALA 40 N 0.48 1.76 -0.93 8.56 0.00 -1.88 0.04 119.26 127.29 2cr6 h ALA 40 Ca -0.48 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.79 2cr6 h ALA 40 Cb 1.25 0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.71 2cr6 h ALA 40 CO 0.55 -0.42 0.23 0.27 0.00 0.00 0.00 179.25 179.87 2cr6 n ASN 41 N -3.51 6.60 -4.78 0.00 0.23 -1.26 -3.42 115.26 109.11 2cr6 n ASN 41 Ca 0.03 -3.78 -0.38 0.00 -0.53 0.00 0.00 54.58 49.92 2cr6 n ASN 41 Cb 0.43 -0.74 -0.06 0.00 -2.08 0.00 0.00 39.78 37.34 2cr6 n ASN 41 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2cr6 s TYR 42 N -3.75 3.71 0.00 -2.53 6.14 -0.00 -5.05 117.35 115.87 2cr6 s TYR 42 Ca 0.59 1.16 0.00 0.00 0.64 0.00 0.00 57.07 59.45 2cr6 s TYR 42 Cb 0.47 -2.52 0.00 0.00 0.42 0.00 0.00 41.96 40.33 2cr6 s TYR 42 CO -0.02 0.45 0.00 -0.85 0.64 0.00 0.00 175.55 175.77 2cr6 n GLU 43 N 2.36 0.00 -1.09 4.97 0.28 -1.26 -4.73 120.64 121.17 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 -1.09 0.07 3.44 0.04 -1.26 -5.17 135.00 129.03 2cr6 s PRO 44 Ca 0.00 -0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.10 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 -3.63 -0.23 0.14 0.04 0.00 0.00 177.00 173.32 2cr6 s VAL 45 N -3.01 1.84 0.08 -0.36 -7.23 -1.26 -5.00 120.40 105.45 2cr6 s VAL 45 Ca 0.70 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.53 2cr6 s VAL 45 Cb -0.10 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 2cr6 s VAL 45 CO 0.56 0.16 0.01 -1.00 -0.31 0.00 0.00 175.10 174.51 2cr6 s HIS 46 N -0.92 3.02 -0.03 2.82 3.76 -1.16 -5.04 115.29 117.73 2cr6 s HIS 46 Ca 0.09 -0.01 -0.01 0.00 -0.15 0.00 0.00 55.06 54.98 2cr6 s HIS 46 Cb -0.09 -1.56 0.03 0.00 1.11 0.00 0.00 32.58 32.07 2cr6 s HIS 46 CO 0.03 0.48 0.05 -1.58 -0.85 0.00 0.00 174.74 172.87 2cr6 s TRP 47 N -1.29 0.03 0.27 1.40 0.52 -1.26 -2.14 118.94 116.47 2cr6 s TRP 47 Ca 0.25 0.21 0.08 0.00 0.02 0.00 0.00 56.10 56.67 2cr6 s TRP 47 Cb -0.12 -0.35 -0.06 0.00 -1.15 0.00 0.00 33.47 31.80 2cr6 s TRP 47 CO 0.18 -0.14 -0.11 -0.06 0.02 0.00 0.00 176.95 176.83 2cr6 s PHE 48 N 1.62 2.03 -0.24 -1.98 0.40 -1.11 0.00 117.98 118.71 2cr6 s PHE 48 Ca -0.02 -0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 55.69 2cr6 s PHE 48 Cb -0.12 -1.07 0.09 0.00 0.51 0.00 0.00 43.02 42.43 2cr6 s PHE 48 CO -0.03 0.43 0.13 -1.17 0.70 0.00 0.00 175.22 175.28 2cr6 s LEU 49 N -3.45 0.37 0.00 -0.37 1.98 -0.26 -0.10 118.68 116.84 2cr6 s LEU 49 Ca 0.28 -0.93 0.00 0.00 -2.89 0.00 0.00 54.13 50.59 2cr6 s LEU 49 Cb 0.01 -0.20 0.00 0.00 0.66 0.00 0.00 46.19 46.66 2cr6 s LEU 49 CO 0.12 -0.40 0.00 0.47 -1.89 0.00 0.00 176.35 174.65 2cr6 n ASP 50 N 5.27 0.00 -2.73 3.68 9.92 -0.96 -2.24 116.55 129.49 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 41.03 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 1.46 -3.69 -1.24 5.02 -1.26 -5.00 118.16 113.45 2cr6 n LYS 51 Ca 0.00 -2.18 -0.10 0.00 -2.02 0.00 0.00 58.31 54.00 2cr6 n LYS 51 Cb 0.00 -0.42 -0.10 0.00 -0.02 0.00 0.00 35.03 34.49 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 -1.41 -0.02 0.59 -0.18 2.01 -0.95 -5.16 115.64 110.52 2cr6 s THR 52 Ca 0.18 0.08 -0.18 0.00 0.31 0.00 0.00 61.69 62.08 2cr6 s THR 52 Cb 0.40 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 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 1.35 3.13 -0.05 4.92 0.04 -1.26 -1.10 135.00 142.03 2cr6 s PRO 53 Ca -0.09 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.50 2cr6 s PRO 53 Cb -0.08 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2cr6 s PRO 53 CO -0.13 -1.01 -0.12 -0.51 0.04 0.00 0.00 177.00 175.28 2cr6 s LEU 54 N -4.23 1.71 0.03 -3.56 1.43 0.10 -4.88 118.68 109.28 2cr6 s LEU 54 Ca 0.70 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2cr6 s LEU 54 Cb -0.22 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 2cr6 s LEU 54 CO 0.33 0.06 -0.08 -1.00 0.23 0.00 0.00 176.35 175.89 2cr6 s HIS 55 N 0.43 0.68 0.20 0.29 3.76 -1.26 -4.09 115.29 115.30 2cr6 s HIS 55 Ca -0.09 -0.36 -0.33 0.00 -0.15 0.00 0.00 55.06 54.13 2cr6 s HIS 55 Cb -0.13 -0.41 -0.14 0.00 1.11 0.00 0.00 32.58 33.01 2cr6 s HIS 55 CO 0.02 -0.05 1.47 0.00 -0.85 0.00 0.00 174.74 175.34 2cr6 n ALA 56 N 1.94 1.14 -3.01 -1.40 0.00 -1.26 -4.61 120.51 113.31 2cr6 n ALA 56 Ca -0.19 0.43 -0.00 0.00 0.00 0.00 0.00 53.44 53.68 2cr6 n ALA 56 Cb 0.56 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 2.68 -0.01 -0.13 0.00 5.15 0.00 -4.90 115.26 118.05 2cr6 n ASN 57 Ca 0.14 -1.01 0.26 0.00 -0.60 0.00 0.00 54.58 53.37 2cr6 n ASN 57 Cb 0.30 0.02 0.71 0.00 -0.53 0.00 0.00 39.78 40.29 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 -2.02 -2.90 114.58 115.67 2cr6 h GLU 58 Ca -0.00 -0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 2cr6 h GLU 58 Cb 0.01 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 2cr6 h GLU 58 CO 0.00 0.00 -2.03 1.28 -0.73 0.00 0.00 179.01 177.54 2cr6 n LEU 59 N -4.30 2.27 -4.74 1.64 4.77 -1.26 -4.98 117.00 110.40 2cr6 n LEU 59 Ca 0.16 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 2cr6 n LEU 59 Cb 0.87 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2cr6 n LEU 59 CO 0.38 0.62 0.88 0.20 -1.33 0.00 0.00 177.39 178.14 2cr6 s ASN 60 N -6.14 7.10 -0.06 -1.43 -0.87 -1.10 -2.55 114.94 109.90 2cr6 s ASN 60 Ca -0.25 2.24 0.01 0.00 -1.57 0.00 0.00 52.86 53.30 2cr6 s ASN 60 Cb 0.08 -2.61 0.02 0.00 -0.02 0.00 0.00 41.25 38.72 2cr6 s ASN 60 CO 0.37 -0.35 -0.07 -0.70 -2.57 0.00 0.00 177.10 173.78 2cr6 s GLU 61 N -0.37 1.16 -0.36 -0.60 -6.30 -0.98 -0.82 118.70 110.42 2cr6 s GLU 61 Ca 0.52 -0.21 0.00 0.00 -2.50 0.00 0.00 54.97 52.78 2cr6 s GLU 61 Cb -0.33 -1.08 0.12 0.00 0.00 0.00 0.00 34.13 32.84 2cr6 s GLU 61 CO 0.37 -0.06 0.16 0.42 0.02 0.00 0.00 175.26 176.17 2cr6 s ILE 62 N 0.91 0.96 0.72 -3.70 1.01 -1.26 -0.08 121.20 119.75 2cr6 s ILE 62 Ca -0.11 -1.80 -0.10 0.00 0.00 0.00 0.00 60.65 58.64 2cr6 s ILE 62 Cb -0.15 -1.71 0.16 0.00 0.01 0.00 0.00 42.46 40.78 2cr6 s ILE 62 CO 0.01 -0.78 0.97 -0.67 0.00 0.00 0.00 174.94 174.47 2cr6 n ASP 63 N 4.35 0.32 -3.06 3.58 2.03 0.05 -4.93 116.55 118.89 2cr6 n ASP 63 Ca 0.03 -1.50 -0.18 0.00 0.52 0.00 0.00 54.79 53.66 2cr6 n ASP 63 Cb 0.39 -0.72 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 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 -3.49 1.26 -0.80 -1.67 0.00 -1.26 -3.43 120.51 111.13 2cr6 n ALA 64 Ca -0.16 -2.82 -0.33 0.00 0.00 0.00 0.00 53.44 50.13 2cr6 n ALA 64 Cb 0.45 -0.98 0.12 0.00 0.00 0.00 0.00 19.45 19.05 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 1.07 -0.38 -2.25 0.00 6.02 0.79 -4.82 117.38 117.81 2cr6 n GLN 65 Ca 0.18 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 2cr6 n GLN 65 Cb 0.60 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 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 -3.55 4.46 0.00 -1.09 0.04 -1.26 -2.72 135.00 130.89 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 -0.20 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2cr6 s PRO 66 CO 0.68 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 178.09 2cr6 n GLY 67 N 1.01 0.91 2.12 0.56 0.00 -1.26 -4.28 105.19 104.24 2cr6 n GLY 67 Ca -0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.15 0.30 3.46 -0.02 0.00 -1.22 -4.76 105.19 100.80 2cr6 n GLY 68 Ca 0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.67 3.22 -0.46 1.61 1.51 -1.10 -2.17 117.35 117.28 2cr6 s TYR 69 Ca 0.08 -0.58 -0.17 0.00 -1.01 0.00 0.00 57.07 55.38 2cr6 s TYR 69 Cb -0.04 -2.76 0.05 0.00 -0.11 0.00 0.00 41.96 39.10 2cr6 s TYR 69 CO 0.10 -0.65 0.47 -1.01 -1.11 0.00 0.00 175.55 173.35 2cr6 s HIS 70 N 1.80 3.16 -0.13 2.71 3.76 -0.64 -0.15 115.29 125.81 2cr6 s HIS 70 Ca 0.07 -0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 54.26 2cr6 s HIS 70 Cb -0.19 -3.14 -0.05 0.00 1.11 0.00 0.00 32.58 30.31 2cr6 s HIS 70 CO 0.10 -0.82 0.32 0.08 -0.85 0.00 0.00 174.74 173.58 2cr6 s VAL 71 N 2.12 5.27 -0.27 -0.90 1.01 -1.22 -3.45 120.40 122.96 2cr6 s VAL 71 Ca 0.10 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2cr6 s VAL 71 Cb -0.20 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.59 2cr6 s VAL 71 CO 0.11 0.42 -0.09 -0.22 0.00 0.00 0.00 175.10 175.33 2cr6 s LEU 72 N 0.18 3.57 -0.83 3.92 2.96 -1.13 -0.77 118.68 126.57 2cr6 s LEU 72 Ca 0.18 -1.40 -0.11 0.00 -0.22 0.00 0.00 54.13 52.58 2cr6 s LEU 72 Cb -0.14 -1.58 0.22 0.00 0.50 0.00 0.00 46.19 45.19 2cr6 s LEU 72 CO 0.06 -0.21 0.76 -0.89 -1.32 0.00 0.00 176.35 174.75 2cr6 s THR 73 N 1.12 5.32 -0.91 3.68 2.01 0.88 -2.00 115.64 125.74 2cr6 s THR 73 Ca -0.08 -2.71 -0.24 0.00 0.31 0.00 0.00 61.69 58.96 2cr6 s THR 73 Cb -0.20 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.04 2cr6 s THR 73 CO -0.04 -1.03 1.54 -0.76 -0.69 0.00 0.00 174.62 173.64 2cr6 s LEU 74 N -0.10 3.35 0.45 4.42 1.43 -0.67 -2.33 118.68 125.23 2cr6 s LEU 74 Ca 0.20 -0.95 -0.20 0.00 -1.03 0.00 0.00 54.13 52.14 2cr6 s LEU 74 Cb -0.12 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 2cr6 s LEU 74 CO -0.08 -1.88 0.96 -0.13 0.23 0.00 0.00 176.35 175.45 2cr6 s ARG 75 N 5.69 4.15 -0.86 1.70 0.52 -1.06 -2.77 118.95 126.33 2cr6 s ARG 75 Ca 0.50 1.09 -0.04 0.00 -0.52 0.00 0.00 55.73 56.76 2cr6 s ARG 75 Cb -0.04 -2.17 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 2cr6 s ARG 75 CO -0.01 -0.10 0.72 1.04 0.02 0.00 0.00 175.30 176.98 2cr6 n GLN 76 N -0.86 -1.47 -1.99 3.54 6.02 -0.89 -4.66 117.38 117.07 2cr6 n GLN 76 Ca 0.07 1.12 -0.18 0.00 -0.01 0.00 0.00 57.00 57.99 2cr6 n GLN 76 Cb 0.54 -4.83 0.10 0.00 1.02 0.00 0.00 30.24 27.07 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 -2.49 0.00 -3.97 1.08 4.77 -1.23 -4.69 117.00 110.47 2cr6 n LEU 77 Ca -0.09 -1.52 -0.09 0.00 -0.03 0.00 0.00 56.01 54.29 2cr6 n LEU 77 Cb 0.57 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 2cr6 n LEU 77 CO 0.58 -0.93 -0.26 0.00 -1.33 0.00 0.00 177.39 175.46 2cr6 s ALA 78 N -3.22 0.08 0.60 -1.18 0.00 -1.26 -0.28 121.76 116.50 2cr6 s ALA 78 Ca 0.51 -0.72 0.30 0.00 0.00 0.00 0.00 51.96 52.06 2cr6 s ALA 78 Cb -0.03 0.26 1.70 0.00 0.00 0.00 0.00 23.12 25.06 2cr6 s ALA 78 CO 0.34 -0.33 2.08 -0.07 0.00 0.00 0.00 175.76 177.79 2cr6 h LEU 79 N 3.57 0.00 -0.39 0.00 3.38 -1.88 0.25 115.31 120.24 2cr6 h LEU 79 Ca -0.33 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 2cr6 h LEU 79 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2cr6 h LEU 79 CO 0.54 0.00 -0.51 0.07 0.09 0.00 0.00 178.44 178.62 2cr6 h LYS 80 N 0.00 0.00 0.00 1.13 2.10 -1.94 -3.10 116.57 114.76 2cr6 h LYS 80 Ca 0.08 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.72 2cr6 h LYS 80 Cb 0.54 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2cr6 h LYS 80 CO -0.00 0.51 -0.06 0.22 -2.00 0.00 0.00 179.45 178.12 2cr6 h ASP 81 N 0.00 0.00 -1.07 7.07 3.58 -0.89 -3.42 116.42 121.69 2cr6 h ASP 81 Ca -0.01 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2cr6 h ASP 81 Cb 1.23 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 2cr6 h ASP 81 CO 0.07 0.06 1.56 -1.54 -2.88 0.00 0.00 179.24 176.51 2cr6 n SER 82 N -3.63 1.87 0.00 2.28 3.41 -1.17 -4.62 113.62 111.75 2cr6 n SER 82 Ca -0.02 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2cr6 n SER 82 Cb 0.17 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 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 6.34 1.78 3.17 5.00 0.00 -0.08 -4.96 105.19 116.43 2cr6 n GLY 83 Ca 0.44 0.19 -0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.89 -0.06 2.61 2.01 -1.26 -2.23 115.64 117.87 2cr6 s THR 84 Ca 0.00 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 2cr6 s THR 84 Cb 0.00 -0.94 -0.07 0.00 0.01 0.00 0.00 72.50 71.50 2cr6 s THR 84 CO 0.00 -0.02 2.01 -0.63 -0.69 0.00 0.00 174.62 175.29 2cr6 s ILE 85 N 2.78 3.07 -0.95 1.82 -1.09 -0.82 -2.26 121.20 123.76 2cr6 s ILE 85 Ca 0.14 0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.59 2cr6 s ILE 85 Cb -0.15 -3.07 0.24 0.00 -1.58 0.00 0.00 42.46 37.90 2cr6 s ILE 85 CO -0.19 -0.02 0.88 -0.31 -1.23 0.00 0.00 174.94 174.07 2cr6 s TYR 86 N 5.66 3.99 0.62 3.97 2.02 0.85 -2.64 117.35 131.84 2cr6 s TYR 86 Ca 0.91 -2.76 -0.18 0.00 -0.37 0.00 0.00 57.07 54.66 2cr6 s TYR 86 Cb -0.38 -3.54 -0.02 0.00 -0.40 0.00 0.00 41.96 37.62 2cr6 s TYR 86 CO 0.38 -0.86 1.25 0.12 -1.57 0.00 0.00 175.55 174.87 2cr6 s PHE 87 N -1.05 2.23 -0.03 2.71 5.36 -1.06 -2.74 117.98 123.42 2cr6 s PHE 87 Ca 0.27 1.51 0.02 0.00 -0.96 0.00 0.00 56.93 57.77 2cr6 s PHE 87 Cb -0.10 -3.58 0.00 0.00 -0.34 0.00 0.00 43.02 39.01 2cr6 s PHE 87 CO -0.10 -2.55 -0.08 -1.21 -1.46 0.00 0.00 175.22 169.82 2cr6 s GLU 88 N -3.39 0.91 -0.29 10.12 2.02 -0.91 -2.49 118.70 124.66 2cr6 s GLU 88 Ca 0.80 -0.28 -0.02 0.00 0.02 0.00 0.00 54.97 55.49 2cr6 s GLU 88 Cb -0.33 -0.85 0.19 0.00 0.10 0.00 0.00 34.13 33.23 2cr6 s GLU 88 CO 0.37 0.10 0.77 0.00 0.02 0.00 0.00 175.26 176.52 2cr6 s ALA 89 N 0.21 -3.00 0.00 5.21 0.00 -1.24 -2.99 121.76 119.96 2cr6 s ALA 89 Ca -0.03 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2cr6 s ALA 89 Cb -0.08 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.44 2cr6 s ALA 89 CO 0.00 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.33 2cr6 n GLY 90 N 5.32 2.30 0.74 0.00 0.00 -1.26 -2.33 105.19 109.96 2cr6 n GLY 90 Ca 0.05 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2cr6 n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cr6 n ASP 91 N 10.02 3.35 -4.33 1.61 8.00 -1.26 -5.01 116.55 128.94 2cr6 n ASP 91 Ca 0.00 -3.14 -0.27 0.00 0.71 0.00 0.00 54.79 52.09 2cr6 n ASP 91 Cb 0.00 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.52 2cr6 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cr6 n GLN 92 N -0.80 0.91 -3.28 -1.24 1.13 -0.99 -5.01 117.38 108.10 2cr6 n GLN 92 Ca 0.22 -3.13 0.03 0.00 -1.94 0.00 0.00 57.00 52.17 2cr6 n GLN 92 Cb 0.85 0.73 -0.04 0.00 0.11 0.00 0.00 30.24 31.89 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 -3.65 0.15 0.55 -1.09 3.52 -1.26 -3.61 118.95 113.56 2cr6 s ARG 93 Ca 0.06 0.39 -0.03 0.00 -0.13 0.00 0.00 55.73 56.02 2cr6 s ARG 93 Cb -0.00 0.23 0.01 0.00 -1.56 0.00 0.00 34.95 33.63 2cr6 s ARG 93 CO 0.04 -0.05 0.82 0.00 -0.81 0.00 0.00 175.30 175.29 2cr6 s ALA 94 N 2.24 3.51 -0.17 6.12 0.00 -1.04 -4.90 121.76 127.52 2cr6 s ALA 94 Ca -0.01 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 2cr6 s ALA 94 Cb -0.03 -2.39 0.08 0.00 0.00 0.00 0.00 23.12 20.78 2cr6 s ALA 94 CO -0.17 -0.69 0.35 -1.54 0.00 0.00 0.00 175.76 173.71 2cr6 s SER 95 N -4.30 0.06 0.03 0.00 1.04 -1.25 -2.55 113.70 106.73 2cr6 s SER 95 Ca 0.53 0.76 0.05 0.00 0.48 0.00 0.00 55.95 57.77 2cr6 s SER 95 Cb -0.10 1.05 -0.02 0.00 0.10 0.00 0.00 66.02 67.05 2cr6 s SER 95 CO 0.42 -0.24 -0.16 0.00 0.98 0.00 0.00 173.24 174.24 2cr6 s ALA 96 N 2.53 1.34 -0.65 5.32 0.00 -1.08 -4.72 121.76 124.49 2cr6 s ALA 96 Ca 0.01 -0.86 -0.27 0.00 0.00 0.00 0.00 51.96 50.84 2cr6 s ALA 96 Cb -0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2cr6 s ALA 96 CO -0.11 0.28 1.64 0.00 0.00 0.00 0.00 175.76 177.57 2cr6 s ALA 97 N -0.76 2.40 -0.83 0.00 0.00 -1.26 -1.94 121.76 119.38 2cr6 s ALA 97 Ca 0.04 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 50.90 2cr6 s ALA 97 Cb -0.08 -4.28 0.09 0.00 0.00 0.00 0.00 23.12 18.86 2cr6 s ALA 97 CO 0.01 -3.63 1.11 -1.17 0.00 0.00 0.00 175.76 172.08 2cr6 s LEU 98 N 7.78 4.51 -0.01 0.00 2.96 -0.95 -1.98 118.68 130.99 2cr6 s LEU 98 Ca 0.56 -1.49 -0.12 0.00 -0.22 0.00 0.00 54.13 52.86 2cr6 s LEU 98 Cb -0.11 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 2cr6 s LEU 98 CO 0.19 -1.30 0.34 -0.13 -1.32 0.00 0.00 176.35 174.13 2cr6 s ARG 99 N 3.66 3.77 -0.25 1.98 1.81 0.84 -0.90 118.95 129.86 2cr6 s ARG 99 Ca 0.30 0.23 -0.02 0.00 -1.72 0.00 0.00 55.73 54.53 2cr6 s ARG 99 Cb -0.09 -3.17 0.12 0.00 -0.45 0.00 0.00 34.95 31.36 2cr6 s ARG 99 CO -0.01 0.69 0.28 0.08 -0.68 0.00 0.00 175.30 175.66 2cr6 s VAL 100 N -1.13 -0.40 0.70 3.52 1.01 -1.26 -2.96 120.40 119.88 2cr6 s VAL 100 Ca 0.23 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 2cr6 s VAL 100 Cb -0.15 -0.85 0.09 0.00 0.00 0.00 0.00 36.38 35.47 2cr6 s VAL 100 CO 0.12 -0.33 0.98 0.42 0.00 0.00 0.00 175.10 176.30 2cr6 s THR 101 N 2.37 2.30 1.11 3.92 -4.23 -1.04 -4.66 115.64 115.41 2cr6 s THR 101 Ca 0.09 -0.45 -0.16 0.00 -1.18 0.00 0.00 61.69 59.99 2cr6 s THR 101 Cb -0.15 -2.84 0.16 0.00 1.34 0.00 0.00 72.50 71.00 2cr6 s THR 101 CO -0.23 0.00 0.41 -0.62 -0.54 0.00 0.00 174.62 173.64 2cr6 n GLU 102 N -2.83 -1.67 -4.21 3.99 1.02 -1.26 -0.04 120.64 115.64 2cr6 n GLU 102 Ca 0.11 -0.46 -0.14 0.00 -0.02 0.00 0.00 57.16 56.65 2cr6 n GLU 102 Cb 0.60 -1.89 -0.11 0.00 -0.02 0.00 0.00 31.44 30.03 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 -3.81 0.94 0.32 3.49 0.00 -1.26 -4.01 119.74 115.41 2cr6 s LYS 103 Ca 0.60 -1.28 0.11 0.00 0.00 0.00 0.00 55.97 55.41 2cr6 s LYS 103 Cb -0.18 -0.58 0.53 0.00 0.00 0.00 0.00 37.83 37.60 2cr6 s LYS 103 CO 0.66 0.08 1.72 -1.00 0.00 0.00 0.00 175.35 176.81 2cr6 h PRO 104 N 3.26 0.04 -2.24 1.78 0.13 -1.96 -3.46 132.00 129.54 2cr6 h PRO 104 Ca -0.37 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2cr6 h PRO 104 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2cr6 h PRO 104 CO 0.57 0.51 0.30 -1.54 -0.23 0.00 0.00 178.00 177.61 2cr6 s SER 105 N -6.89 -0.54 -0.21 1.44 1.04 -1.26 -5.18 113.70 102.09 2cr6 s SER 105 Ca -0.02 0.37 -0.29 0.00 0.48 0.00 0.00 55.95 56.48 2cr6 s SER 105 Cb 0.13 0.49 0.14 0.00 0.10 0.00 0.00 66.02 66.89 2cr6 s SER 105 CO 0.75 -0.66 1.10 0.54 0.98 0.00 0.00 173.24 175.95 2cr6 s VAL 106 N -2.16 0.00 -0.31 5.02 0.11 -1.26 -4.96 120.40 116.84 2cr6 s VAL 106 Ca -0.04 0.00 0.17 0.00 -2.93 0.00 0.00 61.98 59.18 2cr6 s VAL 106 Cb -0.00 -1.00 0.47 0.00 -1.53 0.00 0.00 36.38 34.32 2cr6 s VAL 106 CO -0.00 0.00 1.04 2.22 -3.33 0.00 0.00 175.10 175.03 2cr6 n PHE 107 N 1.01 1.62 -3.59 1.54 -1.74 -1.26 -5.06 117.46 109.98 2cr6 n PHE 107 Ca -0.09 -2.58 -0.05 0.00 -0.56 0.00 0.00 57.45 54.18 2cr6 n PHE 107 Cb 0.58 -0.29 -0.02 0.00 1.52 0.00 0.00 39.48 41.26 2cr6 n PHE 107 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2cr6 s SER 108 N -3.44 -0.15 -1.58 5.98 0.15 -1.26 -4.98 113.70 108.42 2cr6 s SER 108 Ca 0.32 0.02 -0.15 0.00 0.70 0.00 0.00 55.95 56.84 2cr6 s SER 108 Cb 0.40 0.16 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 2cr6 s SER 108 CO -0.02 -0.25 0.94 0.54 1.20 0.00 0.00 173.24 175.65 2cr6 n ARG 109 N -0.03 -4.95 -3.89 5.44 1.74 -1.26 -4.91 116.66 108.81 2cr6 n ARG 109 Ca -0.01 0.54 -0.28 0.00 -0.77 0.00 0.00 57.85 57.34 2cr6 n ARG 109 Cb 0.58 -5.40 -0.12 0.00 -1.02 0.00 0.00 32.46 26.50 2cr6 n ARG 109 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2cr6 s SER 110 N -3.28 4.71 0.00 0.55 0.01 -1.26 -4.67 113.70 109.76 2cr6 s SER 110 Ca 0.69 -3.80 0.00 0.00 1.31 0.00 0.00 55.95 54.15 2cr6 s SER 110 Cb -0.35 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2cr6 s SER 110 CO 0.85 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2cr6 n GLY 111 N 2.04 3.24 3.56 3.44 0.00 -1.26 -5.01 105.19 111.19 2cr6 n GLY 111 Ca 0.19 -1.74 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.03 2.56 -0.69 1.61 0.04 -1.26 -4.81 135.00 130.41 2cr6 s PRO 112 Ca 0.00 -0.26 -0.02 0.00 0.04 0.00 0.00 61.00 60.76 2cr6 s PRO 112 Cb 0.00 -5.04 0.40 0.00 0.04 0.00 0.00 34.50 29.90 2cr6 s PRO 112 CO 0.00 -3.36 2.06 -1.13 0.04 0.00 0.00 177.00 174.61 2cr6 n SER 113 N 13.95 7.56 -4.60 6.66 3.41 -1.26 -4.97 113.62 134.37 2cr6 n SER 113 Ca 0.40 -3.74 -0.43 0.00 -0.26 0.00 0.00 58.87 54.83 2cr6 n SER 113 Cb 0.47 -1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.38 2cr6 n SER 113 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cr6 s SER 114 N -1.45 5.94 0.00 4.04 1.04 -1.26 -5.22 113.70 116.79 2cr6 s SER 114 Ca 0.59 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.45 2cr6 s SER 114 Cb 0.47 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2cr6 s SER 114 CO -0.13 -1.65 0.00 0.61 0.98 0.00 0.00 173.24 173.06