#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 6.33 0.03 1.61 0.01 -1.26 -5.05 113.70 115.38 2cr6 s SER 2 Ca 0.00 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2cr6 s SER 2 Cb 0.00 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2cr6 s SER 2 CO 0.00 -0.16 0.00 -0.24 0.41 0.00 0.00 173.24 173.25 2cr6 n SER 3 N -1.33 0.19 0.00 2.44 2.88 -1.26 -5.10 113.62 111.44 2cr6 n SER 3 Ca -0.06 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2cr6 n SER 3 Cb 0.56 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2cr6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr6 n GLY 4 N 3.09 -0.24 3.40 0.46 0.00 -1.26 -5.17 105.19 105.48 2cr6 n GLY 4 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 3.38 -0.74 1.61 0.01 -1.26 -5.07 113.70 111.62 2cr6 s SER 5 Ca 0.00 -0.75 -0.26 0.00 1.31 0.00 0.00 55.95 56.25 2cr6 s SER 5 Cb 0.00 -0.25 -0.00 0.00 0.21 0.00 0.00 66.02 65.98 2cr6 s SER 5 CO 0.00 0.17 1.66 -0.55 0.41 0.00 0.00 173.24 174.93 2cr6 s SER 6 N -2.15 5.65 0.00 2.44 0.15 -1.26 -4.60 113.70 113.92 2cr6 s SER 6 Ca 0.15 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2cr6 s SER 6 Cb -0.10 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2cr6 s SER 6 CO 0.07 -2.19 0.00 0.61 1.20 0.00 0.00 173.24 172.93 2cr6 n GLY 7 N 5.93 2.68 3.28 9.45 0.00 -1.26 -5.17 105.19 120.10 2cr6 n GLY 7 Ca 0.20 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.16 0.19 0.99 2.96 -1.26 -5.05 118.68 116.67 2cr6 s LEU 8 Ca 0.00 0.85 -0.10 0.00 -0.22 0.00 0.00 54.13 54.66 2cr6 s LEU 8 Cb 0.00 1.36 0.12 0.00 0.50 0.00 0.00 46.19 48.16 2cr6 s LEU 8 CO 0.00 -0.17 1.78 0.58 -1.32 0.00 0.00 176.35 177.22 2cr6 h VAL 9 N 5.08 1.23 -1.28 1.68 2.07 -2.02 -3.45 116.25 119.57 2cr6 h VAL 9 Ca -0.32 -0.67 0.16 0.00 0.82 0.00 0.00 66.70 66.69 2cr6 h VAL 9 Cb 1.18 0.39 -0.30 0.00 -1.52 0.00 0.00 31.29 31.04 2cr6 h VAL 9 CO 0.28 0.28 0.61 0.00 0.02 0.00 0.00 177.57 178.75 2cr6 s GLN 10 N -5.68 0.20 0.00 1.57 -2.07 -1.26 -5.18 119.66 107.25 2cr6 s GLN 10 Ca -0.13 0.33 0.00 0.00 -1.82 0.00 0.00 55.36 53.74 2cr6 s GLN 10 Cb 0.14 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 32.11 2cr6 s GLN 10 CO 0.80 -0.04 0.00 0.41 -1.32 0.00 0.00 175.29 175.15 2cr6 n GLY 11 N 3.09 3.15 3.27 2.60 0.00 -1.26 -5.09 105.19 110.95 2cr6 n GLY 11 Ca -0.17 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 2cr6 n GLY 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cr6 n ARG 12 N 0.00 -1.95 -4.24 1.61 0.63 -1.26 -5.00 116.66 106.46 2cr6 n ARG 12 Ca 0.00 -0.55 -0.33 0.00 -0.92 0.00 0.00 57.85 56.05 2cr6 n ARG 12 Cb 0.00 -1.74 -0.16 0.00 0.45 0.00 0.00 32.46 31.00 2cr6 n ARG 12 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2cr6 s ARG 13 N -3.62 2.93 -0.09 -0.14 6.06 -1.26 -4.75 118.95 118.08 2cr6 s ARG 13 Ca 0.56 -0.81 -0.04 0.00 -2.50 0.00 0.00 55.73 52.95 2cr6 s ARG 13 Cb -0.13 -2.49 -0.04 0.00 0.06 0.00 0.00 34.95 32.35 2cr6 s ARG 13 CO 0.63 -0.17 0.07 0.08 -2.50 0.00 0.00 175.30 173.42 2cr6 s VAL 14 N 1.19 4.91 -0.21 7.11 1.01 -1.26 -4.53 120.40 128.62 2cr6 s VAL 14 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2cr6 s VAL 14 Cb -0.14 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 33.18 2cr6 s VAL 14 CO -0.10 0.58 -0.02 -1.00 0.00 0.00 0.00 175.10 174.56 2cr6 s HIS 15 N -0.99 1.76 -0.38 5.22 3.76 -0.96 -4.61 115.29 119.08 2cr6 s HIS 15 Ca 0.15 -1.31 -0.28 0.00 -0.15 0.00 0.00 55.06 53.48 2cr6 s HIS 15 Cb -0.12 -1.32 -0.07 0.00 1.11 0.00 0.00 32.58 32.18 2cr6 s HIS 15 CO 0.05 -0.69 2.33 -0.89 -0.85 0.00 0.00 174.74 174.69 2cr6 n ILE 16 N 4.85 0.12 -0.04 0.60 2.08 -1.26 -2.08 119.36 123.63 2cr6 n ILE 16 Ca -0.11 -0.57 -0.00 0.00 0.56 0.00 0.00 62.75 62.63 2cr6 n ILE 16 Cb 0.46 -2.50 -0.00 0.00 -0.75 0.00 0.00 39.64 36.85 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 7.43 0.00 -2.98 1.39 2.04 -1.74 -3.43 117.51 120.21 2cr6 h ILE 17 Ca -0.31 -0.85 -0.62 0.00 1.00 0.00 0.00 64.86 64.09 2cr6 h ILE 17 Cb 1.26 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.94 2cr6 h ILE 17 CO 1.07 0.00 -0.67 -1.61 0.00 0.00 0.00 178.15 176.94 2cr6 s GLU 18 N -1.48 1.96 0.93 2.37 2.02 0.61 -4.97 118.70 120.13 2cr6 s GLU 18 Ca -0.00 -2.84 -0.12 0.00 0.02 0.00 0.00 54.97 52.02 2cr6 s GLU 18 Cb 0.00 -2.90 0.06 0.00 0.10 0.00 0.00 34.13 31.39 2cr6 s GLU 18 CO 0.00 -1.26 0.62 -3.47 0.02 0.00 0.00 175.26 171.18 2cr6 n ASP 19 N 2.50 -1.34 -3.56 -0.19 -0.08 -1.26 -0.92 116.55 111.70 2cr6 n ASP 19 Ca 0.18 0.37 -0.26 0.00 -1.51 0.00 0.00 54.79 53.57 2cr6 n ASP 19 Cb 0.37 -1.29 0.23 0.00 2.34 0.00 0.00 41.12 42.78 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 -2.09 -0.95 0.00 -2.67 4.77 -1.26 -4.80 117.00 109.99 2cr6 n LEU 20 Ca 0.08 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2cr6 n LEU 20 Cb 0.53 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2cr6 n LEU 20 CO 0.50 -3.93 0.00 -1.84 -1.33 0.00 0.00 177.39 170.79 2cr6 n GLU 21 N -4.12 0.00 0.00 3.23 0.28 -1.26 -4.90 120.64 113.86 2cr6 n GLU 21 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2cr6 n GLU 21 Cb 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 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 -1.59 0.00 -3.75 -1.84 5.68 -1.26 -4.03 116.55 109.76 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 0.02 -0.27 2.12 1.01 -0.69 -4.96 120.40 115.63 2cr6 s VAL 23 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2cr6 s VAL 23 Cb 0.00 -0.55 0.16 0.00 0.00 0.00 0.00 36.38 35.99 2cr6 s VAL 23 CO 0.00 -0.11 0.44 1.51 0.00 0.00 0.00 175.10 176.94 2cr6 s ASP 24 N -0.45 -0.09 0.10 3.32 -4.77 -1.25 -0.17 116.67 113.37 2cr6 s ASP 24 Ca -0.06 0.05 -0.10 0.00 -3.30 0.00 0.00 52.55 49.14 2cr6 s ASP 24 Cb -0.04 1.34 0.00 0.00 -1.09 0.00 0.00 42.92 43.14 2cr6 s ASP 24 CO 0.02 -0.32 0.24 0.68 0.70 0.00 0.00 175.17 176.49 2cr6 s VAL 25 N 2.61 0.12 0.31 2.11 -7.23 -1.13 -5.00 120.40 112.19 2cr6 s VAL 25 Ca 0.12 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.90 2cr6 s VAL 25 Cb -0.14 -1.37 -0.11 0.00 0.56 0.00 0.00 36.38 35.33 2cr6 s VAL 25 CO -0.23 -0.55 1.52 0.00 -0.31 0.00 0.00 175.10 175.53 2cr6 s GLN 26 N -3.86 4.16 0.52 4.82 -2.07 -1.26 -2.85 119.66 119.12 2cr6 s GLN 26 Ca 0.06 2.50 -0.20 0.00 -1.82 0.00 0.00 55.36 55.89 2cr6 s GLN 26 Cb 0.04 -3.03 -0.09 0.00 -1.09 0.00 0.00 33.01 28.84 2cr6 s GLN 26 CO -0.10 -0.54 0.77 -0.85 -1.32 0.00 0.00 175.29 173.25 2cr6 n GLU 27 N 1.72 0.83 0.00 9.60 -0.00 0.81 -2.19 120.64 131.41 2cr6 n GLU 27 Ca 0.06 0.31 0.00 0.00 -0.00 0.00 0.00 57.16 57.53 2cr6 n GLU 27 Cb 0.39 -1.89 0.00 0.00 -0.00 0.00 0.00 31.44 29.94 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 1.50 2.51 2.32 -1.84 0.00 0.50 -4.46 105.19 105.73 2cr6 n GLY 28 Ca 0.12 0.00 -0.17 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 0.28 -4.25 1.61 7.64 -0.93 -1.78 113.62 116.19 2cr6 n SER 29 Ca 0.00 -1.40 -0.43 0.00 1.01 0.00 0.00 58.87 58.05 2cr6 n SER 29 Cb 0.00 -0.55 -0.07 0.00 -1.01 0.00 0.00 64.21 62.58 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 -3.78 5.86 -0.42 6.43 1.04 -1.26 -3.08 113.70 118.50 2cr6 s SER 30 Ca 0.44 -1.82 -0.24 0.00 0.48 0.00 0.00 55.95 54.80 2cr6 s SER 30 Cb -0.01 -2.08 0.02 0.00 0.10 0.00 0.00 66.02 64.05 2cr6 s SER 30 CO 0.30 -0.73 0.86 0.00 0.98 0.00 0.00 173.24 174.65 2cr6 s ALA 31 N 1.45 3.33 0.12 5.32 0.00 -1.15 -4.82 121.76 126.00 2cr6 s ALA 31 Ca 0.05 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 2cr6 s ALA 31 Cb -0.27 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.27 2cr6 s ALA 31 CO 0.01 -1.80 0.82 0.99 0.00 0.00 0.00 175.76 175.77 2cr6 s THR 32 N 3.43 4.51 -0.37 0.00 2.01 -1.25 -2.75 115.64 121.22 2cr6 s THR 32 Ca 0.34 1.77 0.01 0.00 0.31 0.00 0.00 61.69 64.11 2cr6 s THR 32 Cb -0.12 -4.18 0.12 0.00 0.01 0.00 0.00 72.50 68.34 2cr6 s THR 32 CO 0.22 0.43 0.17 -0.36 -0.69 0.00 0.00 174.62 174.38 2cr6 s PHE 33 N -0.53 1.68 0.35 4.92 0.08 -0.49 -4.90 117.98 119.09 2cr6 s PHE 33 Ca 0.39 -2.01 -0.10 0.00 0.12 0.00 0.00 56.93 55.33 2cr6 s PHE 33 Cb -0.22 -1.68 -0.07 0.00 -0.57 0.00 0.00 43.02 40.48 2cr6 s PHE 33 CO 0.26 -0.83 0.71 1.03 -0.10 0.00 0.00 175.22 176.29 2cr6 s ARG 34 N 1.02 3.80 -0.29 0.44 0.52 -1.26 -2.59 118.95 120.59 2cr6 s ARG 34 Ca 0.14 0.41 -0.17 0.00 -0.52 0.00 0.00 55.73 55.59 2cr6 s ARG 34 Cb -0.21 -2.46 0.17 0.00 0.52 0.00 0.00 34.95 32.96 2cr6 s ARG 34 CO -0.11 0.08 1.09 0.00 0.02 0.00 0.00 175.30 176.38 2cr6 s ARG 36 N 1.10 4.05 0.01 0.00 3.52 -0.10 -1.89 118.95 125.64 2cr6 s ARG 36 Ca -0.07 -0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.24 2cr6 s ARG 36 Cb -0.03 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 2cr6 s ARG 36 CO -0.13 0.31 0.00 0.96 -0.81 0.00 0.00 175.30 175.64 2cr6 s ILE 37 N 0.30 0.06 -0.02 4.11 -4.36 -1.08 -0.29 121.20 119.92 2cr6 s ILE 37 Ca 0.06 -0.50 -0.03 0.00 -0.26 0.00 0.00 60.65 59.92 2cr6 s ILE 37 Cb -0.12 -0.18 -0.04 0.00 1.25 0.00 0.00 42.46 43.38 2cr6 s ILE 37 CO -0.01 -0.28 0.17 -0.55 0.24 0.00 0.00 174.94 174.51 2cr6 s SER 38 N -0.82 6.27 1.08 4.36 0.15 -0.89 -3.82 113.70 120.03 2cr6 s SER 38 Ca -0.09 0.33 -0.15 0.00 0.70 0.00 0.00 55.95 56.74 2cr6 s SER 38 Cb -0.06 -1.95 0.23 0.00 -1.71 0.00 0.00 66.02 62.53 2cr6 s SER 38 CO -0.00 0.27 1.10 -2.16 1.20 0.00 0.00 173.24 173.65 2cr6 s PRO 39 N -1.85 -0.22 0.00 5.44 0.04 -1.26 -2.26 135.00 134.89 2cr6 s PRO 39 Ca 0.26 0.29 0.30 0.00 0.04 0.00 0.00 61.00 61.89 2cr6 s PRO 39 Cb -0.12 -1.68 1.76 0.00 0.04 0.00 0.00 34.50 34.49 2cr6 s PRO 39 CO 0.17 -3.12 2.12 0.00 0.04 0.00 0.00 177.00 176.21 2cr6 n ALA 40 N -4.41 2.60 -1.90 8.56 0.00 -1.25 -3.18 120.51 120.93 2cr6 n ALA 40 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 2cr6 n ALA 40 Cb 0.58 -1.49 0.13 0.00 0.00 0.00 0.00 19.45 18.67 2cr6 n ALA 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2cr6 n ASN 41 N -1.05 2.43 -4.74 0.00 3.02 -1.26 -2.75 115.26 110.91 2cr6 n ASN 41 Ca 0.21 -3.50 -0.40 0.00 -0.03 0.00 0.00 54.58 50.86 2cr6 n ASN 41 Cb 0.13 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 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 -2.94 3.67 0.00 3.10 6.14 -1.19 -5.03 117.35 121.10 2cr6 s TYR 42 Ca 0.40 1.37 0.00 0.00 0.64 0.00 0.00 57.07 59.48 2cr6 s TYR 42 Cb 0.38 -2.80 0.00 0.00 0.42 0.00 0.00 41.96 39.96 2cr6 s TYR 42 CO -0.05 0.21 0.00 -0.85 0.64 0.00 0.00 175.55 175.49 2cr6 n GLU 43 N 3.17 0.00 -1.08 4.97 0.28 -1.26 -4.72 120.64 121.99 2cr6 n GLU 43 Ca -0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.68 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 -0.98 0.11 3.44 0.04 -1.26 -5.17 135.00 129.17 2cr6 s PRO 44 Ca 0.00 0.03 0.11 0.00 0.04 0.00 0.00 61.00 61.18 2cr6 s PRO 44 Cb 0.00 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 2cr6 s PRO 44 CO 0.00 -3.57 -0.27 0.14 0.04 0.00 0.00 177.00 173.34 2cr6 s VAL 45 N -2.99 2.21 0.04 -0.36 -7.23 -1.26 -5.02 120.40 105.78 2cr6 s VAL 45 Ca 0.70 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 2cr6 s VAL 45 Cb -0.11 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 2cr6 s VAL 45 CO 0.56 0.14 -0.01 -1.00 -0.31 0.00 0.00 175.10 174.48 2cr6 s HIS 46 N -1.01 3.01 -0.02 2.82 3.76 -1.17 -5.04 115.29 117.63 2cr6 s HIS 46 Ca 0.13 0.02 0.01 0.00 -0.15 0.00 0.00 55.06 55.07 2cr6 s HIS 46 Cb -0.10 -1.60 0.02 0.00 1.11 0.00 0.00 32.58 32.00 2cr6 s HIS 46 CO 0.05 0.46 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.79 2cr6 s TRP 47 N -1.17 0.47 0.19 1.40 0.52 -1.26 -1.95 118.94 117.14 2cr6 s TRP 47 Ca 0.22 -0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.29 2cr6 s TRP 47 Cb -0.12 -0.44 -0.05 0.00 -1.15 0.00 0.00 33.47 31.72 2cr6 s TRP 47 CO 0.13 -0.11 -0.03 -0.06 0.02 0.00 0.00 176.95 176.90 2cr6 s PHE 48 N 0.62 1.38 -0.25 -1.98 0.40 -1.00 -0.07 117.98 117.08 2cr6 s PHE 48 Ca -0.07 -0.89 -0.04 0.00 -0.60 0.00 0.00 56.93 55.33 2cr6 s PHE 48 Cb -0.10 -0.77 0.09 0.00 0.51 0.00 0.00 43.02 42.75 2cr6 s PHE 48 CO -0.01 -0.04 0.14 -1.17 0.70 0.00 0.00 175.22 174.85 2cr6 s LEU 49 N -3.23 0.35 0.00 -0.37 1.98 0.46 -0.04 118.68 117.83 2cr6 s LEU 49 Ca 0.24 -0.94 0.00 0.00 -2.89 0.00 0.00 54.13 50.54 2cr6 s LEU 49 Cb 0.05 -0.17 0.00 0.00 0.66 0.00 0.00 46.19 46.72 2cr6 s LEU 49 CO 0.05 -0.40 0.00 0.47 -1.89 0.00 0.00 176.35 174.58 2cr6 n ASP 50 N 5.27 0.00 -2.69 3.68 9.92 -1.09 -1.94 116.55 129.71 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 0.07 0.00 -0.64 0.00 0.00 41.12 41.00 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 1.50 -3.70 -1.24 4.76 -1.26 -5.03 118.16 113.19 2cr6 n LYS 51 Ca 0.00 -2.65 -0.11 0.00 -2.87 0.00 0.00 58.31 52.68 2cr6 n LYS 51 Cb 0.00 -0.84 -0.10 0.00 -1.84 0.00 0.00 35.03 32.25 2cr6 n LYS 51 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2cr6 s THR 52 N -2.30 -0.02 0.78 -0.18 2.01 -0.82 -5.16 115.64 109.95 2cr6 s THR 52 Ca 0.21 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.16 2cr6 s THR 52 Cb 0.36 -0.63 0.06 0.00 0.01 0.00 0.00 72.50 72.30 2cr6 s THR 52 CO -0.07 0.02 1.09 -2.16 -0.69 0.00 0.00 174.62 172.81 2cr6 s PRO 53 N 1.04 2.20 -0.05 4.92 0.04 -1.26 -0.40 135.00 141.49 2cr6 s PRO 53 Ca -0.07 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.14 2cr6 s PRO 53 Cb -0.07 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.60 2cr6 s PRO 53 CO -0.09 -1.68 -0.06 -0.51 0.04 0.00 0.00 177.00 174.70 2cr6 s LEU 54 N -5.94 1.37 0.09 -3.56 1.43 0.90 -4.80 118.68 108.16 2cr6 s LEU 54 Ca 0.61 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 2cr6 s LEU 54 Cb -0.17 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 2cr6 s LEU 54 CO 0.56 -0.04 -0.14 -1.00 0.23 0.00 0.00 176.35 175.95 2cr6 s HIS 55 N 0.88 1.30 0.28 0.29 3.76 -1.26 -4.19 115.29 116.35 2cr6 s HIS 55 Ca -0.12 -0.49 -0.29 0.00 -0.15 0.00 0.00 55.06 54.01 2cr6 s HIS 55 Cb -0.15 -0.71 -0.10 0.00 1.11 0.00 0.00 32.58 32.73 2cr6 s HIS 55 CO 0.01 0.09 1.28 0.00 -0.85 0.00 0.00 174.74 175.27 2cr6 s ALA 56 N -1.57 3.50 0.06 -1.40 0.00 -1.26 -4.62 121.76 116.46 2cr6 s ALA 56 Ca 0.02 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.11 2cr6 s ALA 56 Cb -0.08 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.59 2cr6 s ALA 56 CO 0.02 -0.53 0.12 0.27 0.00 0.00 0.00 175.76 175.65 2cr6 n ASN 57 N 1.53 -0.33 -0.28 0.00 0.23 -0.29 -4.92 115.26 111.20 2cr6 n ASN 57 Ca 0.02 -1.23 0.33 0.00 -0.53 0.00 0.00 54.58 53.17 2cr6 n ASN 57 Cb 0.42 0.56 0.73 0.00 -2.08 0.00 0.00 39.78 39.41 2cr6 n ASN 57 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2cr6 h GLU 58 N 0.00 0.02 0.00 -3.83 4.81 -2.02 -3.04 114.58 110.52 2cr6 h GLU 58 Ca -0.05 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2cr6 h GLU 58 Cb 0.18 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2cr6 h GLU 58 CO 0.06 0.01 -1.00 1.28 -0.73 0.00 0.00 179.01 178.63 2cr6 n LEU 59 N -4.23 1.90 -4.75 1.64 4.77 -1.26 -4.97 117.00 110.10 2cr6 n LEU 59 Ca 0.24 0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 56.12 2cr6 n LEU 59 Cb 1.15 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 2cr6 n LEU 59 CO 0.39 -0.27 1.15 0.20 -1.33 0.00 0.00 177.39 177.53 2cr6 s ASN 60 N -5.97 6.54 -0.10 -1.43 -0.87 -1.15 -3.11 114.94 108.86 2cr6 s ASN 60 Ca -0.28 2.79 0.02 0.00 -1.57 0.00 0.00 52.86 53.82 2cr6 s ASN 60 Cb 0.04 -2.63 0.01 0.00 -0.02 0.00 0.00 41.25 38.65 2cr6 s ASN 60 CO 0.41 -0.78 -0.14 -0.70 -2.57 0.00 0.00 177.10 173.32 2cr6 s GLU 61 N -0.65 2.07 -0.24 -0.60 2.12 -0.88 -1.14 118.70 119.38 2cr6 s GLU 61 Ca 0.59 -0.51 -0.02 0.00 0.36 0.00 0.00 54.97 55.40 2cr6 s GLU 61 Cb -0.44 -1.76 0.07 0.00 0.26 0.00 0.00 34.13 32.26 2cr6 s GLU 61 CO 0.47 -0.05 0.04 0.42 -0.54 0.00 0.00 175.26 175.60 2cr6 s ILE 62 N 0.94 0.81 0.50 -3.70 1.01 -1.26 -0.08 121.20 119.42 2cr6 s ILE 62 Ca -0.08 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.70 2cr6 s ILE 62 Cb -0.15 -1.37 0.09 0.00 0.01 0.00 0.00 42.46 41.03 2cr6 s ILE 62 CO -0.00 -0.34 0.69 0.47 0.00 0.00 0.00 174.94 175.76 2cr6 n ASP 63 N 4.92 1.73 -3.08 3.58 9.92 -0.15 -4.98 116.55 128.49 2cr6 n ASP 63 Ca -0.07 -2.27 -0.20 0.00 -0.53 0.00 0.00 54.79 51.72 2cr6 n ASP 63 Cb 0.45 -0.38 -0.04 0.00 -0.64 0.00 0.00 41.12 40.52 2cr6 n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cr6 n ALA 64 N -2.48 1.46 -0.79 2.24 0.00 -1.26 -3.44 120.51 116.25 2cr6 n ALA 64 Ca -0.12 -2.90 -0.33 0.00 0.00 0.00 0.00 53.44 50.09 2cr6 n ALA 64 Cb 0.51 -0.95 0.12 0.00 0.00 0.00 0.00 19.45 19.13 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 1.36 -0.40 -2.23 0.00 6.02 0.78 -4.82 117.38 118.09 2cr6 n GLN 65 Ca 0.18 -0.08 -0.41 0.00 -0.01 0.00 0.00 57.00 56.68 2cr6 n GLN 65 Cb 0.57 -1.83 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 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 -3.60 4.40 0.00 -1.09 0.04 -1.26 -2.74 135.00 130.76 2cr6 s PRO 66 Ca 0.56 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2cr6 s PRO 66 Cb -0.20 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2cr6 s PRO 66 CO 0.68 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.91 2cr6 n GLY 67 N 2.14 0.97 2.05 0.56 0.00 -1.26 -4.28 105.19 105.38 2cr6 n GLY 67 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.05 0.36 3.43 -0.02 0.00 -1.11 -4.66 105.19 101.14 2cr6 n GLY 68 Ca 0.00 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.11 2.88 -0.41 1.61 1.51 -1.11 -2.65 117.35 117.07 2cr6 s TYR 69 Ca 0.00 -0.88 -0.22 0.00 -1.01 0.00 0.00 57.07 54.96 2cr6 s TYR 69 Cb 0.00 -4.21 0.02 0.00 -0.11 0.00 0.00 41.96 37.65 2cr6 s TYR 69 CO 0.00 -1.51 0.75 -1.01 -1.11 0.00 0.00 175.55 172.67 2cr6 s HIS 70 N 3.33 3.06 -0.18 2.71 3.76 -0.79 -0.16 115.29 127.01 2cr6 s HIS 70 Ca 0.22 0.29 -0.08 0.00 -0.15 0.00 0.00 55.06 55.34 2cr6 s HIS 70 Cb -0.16 -3.48 -0.04 0.00 1.11 0.00 0.00 32.58 30.01 2cr6 s HIS 70 CO 0.04 -0.85 0.08 0.08 -0.85 0.00 0.00 174.74 173.24 2cr6 s VAL 71 N 3.10 4.92 -0.26 -0.90 1.01 -1.22 -3.04 120.40 124.02 2cr6 s VAL 71 Ca 0.29 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2cr6 s VAL 71 Cb -0.13 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.09 2cr6 s VAL 71 CO 0.19 0.46 -0.09 -0.22 0.00 0.00 0.00 175.10 175.45 2cr6 s LEU 72 N 0.31 3.33 -0.78 3.92 2.96 -1.07 -0.98 118.68 126.38 2cr6 s LEU 72 Ca 0.04 -1.39 -0.08 0.00 -0.22 0.00 0.00 54.13 52.48 2cr6 s LEU 72 Cb -0.12 -1.48 0.20 0.00 0.50 0.00 0.00 46.19 45.29 2cr6 s LEU 72 CO -0.00 -0.21 0.67 -0.89 -1.32 0.00 0.00 176.35 174.60 2cr6 s THR 73 N 1.15 4.74 -0.71 3.68 2.01 0.88 -1.40 115.64 125.99 2cr6 s THR 73 Ca -0.07 -2.93 -0.26 0.00 0.31 0.00 0.00 61.69 58.73 2cr6 s THR 73 Cb -0.20 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.34 2cr6 s THR 73 CO -0.05 -0.99 1.63 -0.76 -0.69 0.00 0.00 174.62 173.75 2cr6 s LEU 74 N -0.25 3.24 0.30 4.42 1.43 -1.11 -2.07 118.68 124.65 2cr6 s LEU 74 Ca 0.20 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 52.96 2cr6 s LEU 74 Cb -0.14 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.44 2cr6 s LEU 74 CO -0.07 -2.16 0.82 -0.13 0.23 0.00 0.00 176.35 175.04 2cr6 s ARG 75 N 6.44 4.27 -1.06 1.70 0.52 -1.18 -2.91 118.95 126.71 2cr6 s ARG 75 Ca 0.54 0.97 -0.07 0.00 -0.52 0.00 0.00 55.73 56.66 2cr6 s ARG 75 Cb -0.10 -2.64 -0.06 0.00 0.52 0.00 0.00 34.95 32.68 2cr6 s ARG 75 CO 0.15 0.24 0.92 1.04 0.02 0.00 0.00 175.30 177.67 2cr6 n GLN 76 N 0.19 -2.44 -1.73 3.54 6.02 -0.73 -4.53 117.38 117.70 2cr6 n GLN 76 Ca 0.02 0.84 -0.27 0.00 -0.01 0.00 0.00 57.00 57.58 2cr6 n GLN 76 Cb 0.52 -5.74 0.19 0.00 1.02 0.00 0.00 30.24 26.23 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 -3.34 0.00 -3.92 1.08 4.77 -1.23 -4.33 117.00 110.03 2cr6 n LEU 77 Ca -0.08 -1.34 -0.09 0.00 -0.03 0.00 0.00 56.01 54.47 2cr6 n LEU 77 Cb 0.62 -0.94 -0.08 0.00 -2.33 0.00 0.00 43.42 40.69 2cr6 n LEU 77 CO 0.60 -1.39 -0.17 0.00 -1.33 0.00 0.00 177.39 175.10 2cr6 s ALA 78 N -3.95 -0.06 0.45 -1.18 0.00 -1.26 -0.37 121.76 115.40 2cr6 s ALA 78 Ca 0.69 -0.70 0.39 0.00 0.00 0.00 0.00 51.96 52.35 2cr6 s ALA 78 Cb -0.02 0.38 2.12 0.00 0.00 0.00 0.00 23.12 25.60 2cr6 s ALA 78 CO 0.49 -0.43 2.21 -0.07 0.00 0.00 0.00 175.76 177.95 2cr6 h LEU 79 N 3.06 0.00 -0.46 0.00 3.38 -1.91 0.14 115.31 119.53 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 1.18 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 2.29 0.09 0.00 0.00 178.44 181.38 2cr6 n LYS 80 N -2.91 1.30 -0.02 1.13 2.85 -1.26 -3.34 118.16 115.92 2cr6 n LYS 80 Ca -0.02 -0.45 0.04 0.00 -1.05 0.00 0.00 58.31 56.82 2cr6 n LYS 80 Cb 0.08 -1.38 -0.14 0.00 -0.65 0.00 0.00 35.03 32.94 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 -0.37 0.19 -4.48 -5.58 2.03 0.48 -4.91 116.55 103.91 2cr6 n ASP 81 Ca 0.17 0.08 -0.46 0.00 0.52 0.00 0.00 54.79 55.10 2cr6 n ASP 81 Cb 0.19 1.35 -0.07 0.00 -0.72 0.00 0.00 41.12 41.87 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 -2.51 2.02 0.00 1.67 3.41 -1.21 -4.61 113.62 112.39 2cr6 n SER 82 Ca -0.12 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2cr6 n SER 82 Cb 0.76 -1.31 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 6.38 1.17 3.13 5.00 0.00 0.52 -4.95 105.19 116.45 2cr6 n GLY 83 Ca 0.43 0.36 -0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 2.01 -0.88 -0.01 2.61 2.01 -1.26 -2.04 115.64 118.08 2cr6 s THR 84 Ca 0.00 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 2cr6 s THR 84 Cb 0.00 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.49 2cr6 s THR 84 CO 0.00 -0.03 2.01 -0.63 -0.69 0.00 0.00 174.62 175.28 2cr6 s ILE 85 N 2.77 3.03 -0.80 1.82 -1.09 -0.72 -2.67 121.20 123.53 2cr6 s ILE 85 Ca 0.16 0.03 -0.08 0.00 -2.23 0.00 0.00 60.65 58.53 2cr6 s ILE 85 Cb -0.15 -3.02 0.21 0.00 -1.58 0.00 0.00 42.46 37.92 2cr6 s ILE 85 CO -0.19 -0.00 0.70 -0.31 -1.23 0.00 0.00 174.94 173.90 2cr6 s TYR 86 N 5.08 3.72 0.49 3.97 2.02 0.94 -2.47 117.35 131.09 2cr6 s TYR 86 Ca 0.90 -2.48 -0.22 0.00 -0.37 0.00 0.00 57.07 54.90 2cr6 s TYR 86 Cb -0.41 -3.52 -0.07 0.00 -0.40 0.00 0.00 41.96 37.56 2cr6 s TYR 86 CO 0.40 -0.90 1.17 0.12 -1.57 0.00 0.00 175.55 174.77 2cr6 s PHE 87 N -0.32 2.78 -0.03 2.71 5.36 -1.13 -2.37 117.98 124.97 2cr6 s PHE 87 Ca 0.21 1.53 0.03 0.00 -0.96 0.00 0.00 56.93 57.74 2cr6 s PHE 87 Cb -0.13 -3.38 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 2cr6 s PHE 87 CO -0.07 -1.60 -0.11 -1.21 -1.46 0.00 0.00 175.22 170.76 2cr6 s GLU 88 N -2.88 1.15 -0.31 10.12 2.02 -0.82 -2.15 118.70 125.82 2cr6 s GLU 88 Ca 0.67 -0.38 -0.01 0.00 0.02 0.00 0.00 54.97 55.27 2cr6 s GLU 88 Cb -0.28 -1.05 0.19 0.00 0.10 0.00 0.00 34.13 33.09 2cr6 s GLU 88 CO 0.33 0.16 0.78 0.00 0.02 0.00 0.00 175.26 176.54 2cr6 s ALA 89 N 0.11 -3.08 0.00 5.21 0.00 -1.25 -3.03 121.76 119.72 2cr6 s ALA 89 Ca -0.02 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2cr6 s ALA 89 Cb -0.09 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2cr6 s ALA 89 CO 0.01 -2.01 0.00 0.41 0.00 0.00 0.00 175.76 174.17 2cr6 n GLY 90 N 5.09 1.98 0.42 0.00 0.00 -1.26 -2.83 105.19 108.59 2cr6 n GLY 90 Ca 0.07 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.90 2cr6 n GLY 90 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cr6 n ASP 91 N 9.81 2.83 -3.98 1.61 5.75 -1.26 -5.00 116.55 126.30 2cr6 n ASP 91 Ca 0.00 -2.52 -0.18 0.00 -0.01 0.00 0.00 54.79 52.08 2cr6 n ASP 91 Cb 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 2cr6 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cr6 n GLN 92 N -0.45 0.91 -3.34 0.11 1.13 -1.13 -5.03 117.38 109.58 2cr6 n GLN 92 Ca 0.12 -2.38 0.02 0.00 -1.94 0.00 0.00 57.00 52.82 2cr6 n GLN 92 Cb 0.56 0.23 -0.04 0.00 0.11 0.00 0.00 30.24 31.09 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 -3.59 0.19 0.55 -1.09 3.52 -1.26 -3.86 118.95 113.42 2cr6 s ARG 93 Ca 0.23 0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 56.29 2cr6 s ARG 93 Cb -0.02 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 2cr6 s ARG 93 CO 0.15 -0.06 0.80 0.00 -0.81 0.00 0.00 175.30 175.37 2cr6 s ALA 94 N 2.19 3.66 -0.25 6.12 0.00 -0.91 -4.92 121.76 127.66 2cr6 s ALA 94 Ca -0.02 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 2cr6 s ALA 94 Cb -0.04 -2.25 0.14 0.00 0.00 0.00 0.00 23.12 20.97 2cr6 s ALA 94 CO -0.17 -0.73 0.43 -1.54 0.00 0.00 0.00 175.76 173.76 2cr6 s SER 95 N -4.36 -0.18 -0.01 0.00 1.04 -1.25 -2.85 113.70 106.08 2cr6 s SER 95 Ca 0.55 0.52 0.08 0.00 0.48 0.00 0.00 55.95 57.58 2cr6 s SER 95 Cb -0.10 1.38 -0.02 0.00 0.10 0.00 0.00 66.02 67.38 2cr6 s SER 95 CO 0.40 -0.28 -0.25 0.00 0.98 0.00 0.00 173.24 174.10 2cr6 s ALA 96 N 2.62 2.07 -0.62 5.32 0.00 -1.03 -4.80 121.76 125.33 2cr6 s ALA 96 Ca 0.11 -1.09 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 2cr6 s ALA 96 Cb -0.15 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 2cr6 s ALA 96 CO -0.16 0.50 1.82 0.00 0.00 0.00 0.00 175.76 177.92 2cr6 s ALA 97 N -0.61 2.23 -0.72 0.00 0.00 -1.26 -1.76 121.76 119.64 2cr6 s ALA 97 Ca 0.10 -0.69 -0.21 0.00 0.00 0.00 0.00 51.96 51.16 2cr6 s ALA 97 Cb -0.10 -4.30 0.09 0.00 0.00 0.00 0.00 23.12 18.82 2cr6 s ALA 97 CO -0.01 -3.83 0.96 -1.17 0.00 0.00 0.00 175.76 171.72 2cr6 s LEU 98 N 8.79 4.71 -0.09 0.00 2.96 -0.87 -1.70 118.68 132.48 2cr6 s LEU 98 Ca 0.65 -1.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 2cr6 s LEU 98 Cb -0.12 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 2cr6 s LEU 98 CO 0.20 -1.30 0.19 -0.13 -1.32 0.00 0.00 176.35 174.00 2cr6 s ARG 99 N 3.51 3.53 -0.22 1.98 0.52 0.76 -0.35 118.95 128.68 2cr6 s ARG 99 Ca 0.23 -0.03 -0.04 0.00 -0.52 0.00 0.00 55.73 55.37 2cr6 s ARG 99 Cb -0.15 -3.19 0.11 0.00 0.52 0.00 0.00 34.95 32.24 2cr6 s ARG 99 CO 0.05 0.76 0.33 0.08 0.02 0.00 0.00 175.30 176.53 2cr6 s VAL 100 N -1.05 -0.51 0.25 3.52 1.01 -1.26 -2.83 120.40 119.53 2cr6 s VAL 100 Ca 0.17 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2cr6 s VAL 100 Cb -0.13 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 2cr6 s VAL 100 CO 0.06 -0.11 0.40 0.42 0.00 0.00 0.00 175.10 175.87 2cr6 s THR 101 N 2.48 5.22 0.34 3.92 -4.23 -1.13 -4.74 115.64 117.50 2cr6 s THR 101 Ca 0.09 -0.73 -0.27 0.00 -1.18 0.00 0.00 61.69 59.61 2cr6 s THR 101 Cb -0.15 -3.83 -0.13 0.00 1.34 0.00 0.00 72.50 69.74 2cr6 s THR 101 CO -0.14 -0.33 1.03 -1.84 -0.54 0.00 0.00 174.62 172.80 2cr6 n GLU 102 N -1.28 1.44 -3.38 3.99 0.28 -1.26 -0.13 120.64 120.30 2cr6 n GLU 102 Ca -0.07 0.51 -0.26 0.00 -0.16 0.00 0.00 57.16 57.18 2cr6 n GLU 102 Cb 0.56 -1.97 -0.02 0.00 1.43 0.00 0.00 31.44 31.44 2cr6 n GLU 102 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2cr6 s LYS 103 N -1.75 3.55 0.28 3.44 0.00 -1.26 -4.60 119.74 119.40 2cr6 s LYS 103 Ca 0.60 -0.19 0.06 0.00 0.00 0.00 0.00 55.97 56.44 2cr6 s LYS 103 Cb -0.63 -2.67 0.40 0.00 0.00 0.00 0.00 37.83 34.92 2cr6 s LYS 103 CO 0.59 0.20 1.66 -1.00 0.00 0.00 0.00 175.35 176.80 2cr6 h PRO 104 N 1.26 0.24 0.00 1.78 0.13 -1.93 -3.45 132.00 130.03 2cr6 h PRO 104 Ca -0.49 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2cr6 h PRO 104 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cr6 h PRO 104 CO 0.64 0.66 0.00 0.43 -0.23 0.00 0.00 178.00 179.50 2cr6 n SER 105 N -3.98 -0.45 -0.03 1.44 7.64 -1.26 -5.04 113.62 111.94 2cr6 n SER 105 Ca -0.02 -0.63 -0.04 0.00 1.01 0.00 0.00 58.87 59.20 2cr6 n SER 105 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 2cr6 n SER 105 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2cr6 n VAL 106 N -1.97 0.43 -1.62 0.44 0.31 -1.26 -5.03 118.33 109.64 2cr6 n VAL 106 Ca 0.00 -0.24 -0.45 0.00 -0.01 0.00 0.00 64.34 63.64 2cr6 n VAL 106 Cb 0.00 -0.82 -0.02 0.00 -0.91 0.00 0.00 33.84 32.09 2cr6 n VAL 106 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2cr6 n PHE 107 N -2.37 1.57 -3.94 3.52 3.72 -1.26 -4.99 117.46 113.72 2cr6 n PHE 107 Ca -0.11 0.64 0.00 0.00 -0.05 0.00 0.00 57.45 57.93 2cr6 n PHE 107 Cb 0.69 -2.31 0.00 0.00 -0.94 0.00 0.00 39.48 36.92 2cr6 n PHE 107 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2cr6 n SER 108 N 1.35 0.34 -4.47 4.37 7.64 -1.26 -4.86 113.62 116.73 2cr6 n SER 108 Ca 0.10 -0.94 -0.51 0.00 1.01 0.00 0.00 58.87 58.52 2cr6 n SER 108 Cb 0.32 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.45 2cr6 n SER 108 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2cr6 n ARG 109 N 0.00 1.12 0.09 1.43 5.12 -1.25 -4.81 116.66 118.36 2cr6 n ARG 109 Ca 0.00 0.32 -0.00 0.00 -1.93 0.00 0.00 57.85 56.24 2cr6 n ARG 109 Cb 0.00 -2.44 -0.03 0.00 -1.16 0.00 0.00 32.46 28.83 2cr6 n ARG 109 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2cr6 h SER 110 N 11.90 0.00 -2.92 0.55 0.02 -1.94 -3.39 113.55 117.77 2cr6 h SER 110 Ca -0.29 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.98 2cr6 h SER 110 Cb 1.32 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.49 2cr6 h SER 110 CO 1.01 0.61 -0.18 0.61 -1.14 0.00 0.00 176.83 177.75 2cr6 n GLY 111 N 1.30 4.45 0.17 -3.77 0.00 -1.26 -4.86 105.19 101.22 2cr6 n GLY 111 Ca -0.02 -2.66 0.13 0.00 0.00 0.00 0.00 46.02 43.47 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 5.32 0.00 -1.32 1.61 0.13 -1.99 -3.42 132.00 132.32 2cr6 h PRO 112 Ca 0.18 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.45 2cr6 h PRO 112 Cb 0.73 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.64 2cr6 h PRO 112 CO 0.90 0.00 0.08 0.45 -0.23 0.00 0.00 178.00 179.20 2cr6 s SER 113 N -4.58 -0.80 0.27 1.44 0.15 -1.26 -5.18 113.70 103.74 2cr6 s SER 113 Ca 0.03 1.05 0.05 0.00 0.70 0.00 0.00 55.95 57.78 2cr6 s SER 113 Cb 0.09 1.89 -0.02 0.00 -1.71 0.00 0.00 66.02 66.27 2cr6 s SER 113 CO 0.42 -0.15 0.19 -1.20 1.20 0.00 0.00 173.24 173.70 2cr6 n SER 114 N 5.17 -0.16 0.00 5.45 7.64 -1.26 -5.22 113.62 125.24 2cr6 n SER 114 Ca -0.10 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.11 2cr6 n SER 114 Cb 0.51 1.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.88 2cr6 n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64