#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 5.94 -1.48 1.61 0.15 -1.26 -4.39 113.70 114.28 2cr6 s SER 2 Ca 0.00 0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2cr6 s SER 2 Cb 0.00 -1.57 0.07 0.00 -1.71 0.00 0.00 66.02 62.80 2cr6 s SER 2 CO 0.00 -0.57 1.00 -0.24 1.20 0.00 0.00 173.24 174.63 2cr6 n SER 3 N -1.94 -4.77 -4.21 5.45 2.88 -1.26 -4.93 113.62 104.84 2cr6 n SER 3 Ca -0.00 -0.74 -0.41 0.00 -1.33 0.00 0.00 58.87 56.38 2cr6 n SER 3 Cb 0.57 -4.11 -0.07 0.00 -0.75 0.00 0.00 64.21 59.86 2cr6 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr6 s GLY 4 N -3.41 2.30 -0.47 0.46 0.00 -1.26 -4.93 107.32 100.01 2cr6 s GLY 4 Ca 0.59 -2.89 0.08 0.00 0.00 0.00 0.00 44.72 42.50 2cr6 s GLY 4 CO 0.81 1.15 0.73 -1.14 0.00 0.00 0.00 173.10 174.64 2cr6 n SER 5 N 4.36 1.95 -3.67 1.64 3.41 -1.26 -5.00 113.62 115.04 2cr6 n SER 5 Ca 0.01 -3.15 -0.29 0.00 -0.26 0.00 0.00 58.87 55.18 2cr6 n SER 5 Cb 0.41 -0.62 -0.12 0.00 -0.26 0.00 0.00 64.21 63.62 2cr6 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cr6 s SER 6 N -2.34 3.39 0.00 4.04 0.15 -1.26 -5.07 113.70 112.61 2cr6 s SER 6 Ca 0.41 -3.00 0.00 0.00 0.70 0.00 0.00 55.95 54.06 2cr6 s SER 6 Cb 0.25 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 2cr6 s SER 6 CO -0.09 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2cr6 n GLY 7 N 3.04 0.86 3.36 9.45 0.00 -1.26 -5.11 105.19 115.53 2cr6 n GLY 7 Ca 0.16 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.00 0.18 -0.16 0.99 2.96 -1.26 -5.17 118.68 115.21 2cr6 s LEU 8 Ca 0.00 0.33 -0.25 0.00 -0.22 0.00 0.00 54.13 53.99 2cr6 s LEU 8 Cb 0.00 1.85 0.06 0.00 0.50 0.00 0.00 46.19 48.60 2cr6 s LEU 8 CO 0.00 -0.54 0.64 0.54 -1.32 0.00 0.00 176.35 175.67 2cr6 s VAL 9 N -1.41 0.00 0.37 1.68 0.11 -1.26 -4.92 120.40 114.96 2cr6 s VAL 9 Ca -0.12 -0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2cr6 s VAL 9 Cb -0.03 -0.93 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2cr6 s VAL 9 CO 0.06 -0.02 0.55 0.00 -3.33 0.00 0.00 175.10 172.36 2cr6 n GLN 10 N 1.97 0.79 0.00 1.54 6.02 -1.26 -5.12 117.38 121.32 2cr6 n GLN 10 Ca -0.16 -2.81 0.00 0.00 -0.01 0.00 0.00 57.00 54.02 2cr6 n GLN 10 Cb 0.56 2.79 0.00 0.00 1.02 0.00 0.00 30.24 34.61 2cr6 n GLN 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cr6 n GLY 11 N -0.59 -1.99 3.42 1.08 0.00 -1.26 -4.74 105.19 101.11 2cr6 n GLY 11 Ca -0.01 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2cr6 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr6 n ARG 12 N -0.19 -1.24 -4.30 1.61 1.74 -1.26 -5.03 116.66 108.00 2cr6 n ARG 12 Ca 0.00 -0.33 -0.22 0.00 -0.77 0.00 0.00 57.85 56.54 2cr6 n ARG 12 Cb 0.00 -1.96 -0.16 0.00 -1.02 0.00 0.00 32.46 29.32 2cr6 n ARG 12 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2cr6 s ARG 13 N -3.90 1.12 -0.08 5.56 6.06 -1.26 -4.93 118.95 121.52 2cr6 s ARG 13 Ca 0.61 -0.21 -0.12 0.00 -2.50 0.00 0.00 55.73 53.51 2cr6 s ARG 13 Cb -0.19 -1.03 -0.05 0.00 0.06 0.00 0.00 34.95 33.73 2cr6 s ARG 13 CO 0.65 -0.05 0.28 0.08 -2.50 0.00 0.00 175.30 173.76 2cr6 s VAL 14 N 0.85 5.27 -0.26 7.11 1.01 -1.26 -4.46 120.40 128.65 2cr6 s VAL 14 Ca -0.12 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 2cr6 s VAL 14 Cb -0.15 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 32.73 2cr6 s VAL 14 CO 0.01 0.55 0.02 -1.00 0.00 0.00 0.00 175.10 174.69 2cr6 s HIS 15 N -0.72 2.03 -0.59 5.22 3.76 -1.04 -4.68 115.29 119.26 2cr6 s HIS 15 Ca 0.19 -1.69 -0.27 0.00 -0.15 0.00 0.00 55.06 53.14 2cr6 s HIS 15 Cb -0.14 -1.64 -0.10 0.00 1.11 0.00 0.00 32.58 31.81 2cr6 s HIS 15 CO 0.08 -0.79 2.48 -0.89 -0.85 0.00 0.00 174.74 174.76 2cr6 n ILE 16 N 4.76 -0.07 0.12 0.60 2.08 -1.26 -2.33 119.36 123.27 2cr6 n ILE 16 Ca -0.07 -0.64 -0.06 0.00 0.56 0.00 0.00 62.75 62.55 2cr6 n ILE 16 Cb 0.44 -2.34 -0.03 0.00 -0.75 0.00 0.00 39.64 36.96 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 7.76 0.00 -2.92 1.39 2.04 -1.30 -3.41 117.51 121.06 2cr6 h ILE 17 Ca -0.20 -0.52 -0.61 0.00 1.00 0.00 0.00 64.86 64.52 2cr6 h ILE 17 Cb 1.28 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.95 2cr6 h ILE 17 CO 1.21 0.00 -0.67 -1.61 0.00 0.00 0.00 178.15 177.08 2cr6 s GLU 18 N -2.76 2.10 0.95 2.37 2.02 0.86 -4.95 118.70 119.29 2cr6 s GLU 18 Ca -0.05 -3.05 -0.13 0.00 0.02 0.00 0.00 54.97 51.75 2cr6 s GLU 18 Cb 0.01 -2.96 0.02 0.00 0.10 0.00 0.00 34.13 31.30 2cr6 s GLU 18 CO 0.16 -1.31 0.34 -3.47 0.02 0.00 0.00 175.26 171.00 2cr6 n ASP 19 N 2.19 -2.30 -3.82 -0.19 -0.08 -1.26 -0.74 116.55 110.34 2cr6 n ASP 19 Ca 0.22 0.33 -0.27 0.00 -1.51 0.00 0.00 54.79 53.56 2cr6 n ASP 19 Cb 0.38 -1.18 0.22 0.00 2.34 0.00 0.00 41.12 42.87 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 -1.02 -1.43 0.00 -2.67 4.77 -1.26 -4.78 117.00 110.61 2cr6 n LEU 20 Ca 0.06 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2cr6 n LEU 20 Cb 0.54 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2cr6 n LEU 20 CO 0.51 -3.60 0.00 -1.84 -1.33 0.00 0.00 177.39 171.13 2cr6 n GLU 21 N -3.50 0.00 -3.62 3.23 0.28 -1.26 -4.89 120.64 110.89 2cr6 n GLU 21 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2cr6 n GLU 21 Cb 0.52 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.38 2cr6 n GLU 21 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2cr6 s ASP 22 N -1.61 -0.00 -0.08 -1.84 -4.77 -1.26 -4.07 116.67 103.03 2cr6 s ASP 22 Ca 0.00 -0.00 -0.13 0.00 -3.30 0.00 0.00 52.55 49.12 2cr6 s ASP 22 Cb 0.00 0.00 0.03 0.00 -1.09 0.00 0.00 42.92 41.86 2cr6 s ASP 22 CO 0.00 -0.00 0.34 -0.69 0.70 0.00 0.00 175.17 175.51 2cr6 s VAL 23 N -2.00 0.02 -0.28 2.11 1.01 -0.85 -4.97 120.40 115.44 2cr6 s VAL 23 Ca 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2cr6 s VAL 23 Cb 0.02 -0.54 0.17 0.00 0.00 0.00 0.00 36.38 36.03 2cr6 s VAL 23 CO -0.04 -0.11 0.49 1.51 0.00 0.00 0.00 175.10 176.95 2cr6 s ASP 24 N -0.44 -0.50 0.14 3.32 -4.77 -1.25 -0.22 116.67 112.95 2cr6 s ASP 24 Ca -0.06 0.14 -0.11 0.00 -3.30 0.00 0.00 52.55 49.22 2cr6 s ASP 24 Cb -0.04 1.55 0.01 0.00 -1.09 0.00 0.00 42.92 43.35 2cr6 s ASP 24 CO 0.02 -0.31 0.31 0.68 0.70 0.00 0.00 175.17 176.57 2cr6 s VAL 25 N 2.68 0.08 0.31 2.11 -7.23 -1.17 -5.00 120.40 112.19 2cr6 s VAL 25 Ca 0.13 -1.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.93 2cr6 s VAL 25 Cb -0.13 -1.52 -0.11 0.00 0.56 0.00 0.00 36.38 35.19 2cr6 s VAL 25 CO -0.24 -0.39 1.50 0.00 -0.31 0.00 0.00 175.10 175.67 2cr6 s GLN 26 N -3.89 4.17 0.56 4.82 -2.07 -1.26 -2.50 119.66 119.49 2cr6 s GLN 26 Ca 0.09 2.48 -0.19 0.00 -1.82 0.00 0.00 55.36 55.93 2cr6 s GLN 26 Cb 0.03 -3.03 -0.07 0.00 -1.09 0.00 0.00 33.01 28.84 2cr6 s GLN 26 CO -0.06 -0.52 0.78 -0.85 -1.32 0.00 0.00 175.29 173.32 2cr6 n GLU 27 N 1.62 0.78 0.00 9.60 -0.00 0.97 -2.45 120.64 131.16 2cr6 n GLU 27 Ca 0.05 0.30 0.00 0.00 -0.00 0.00 0.00 57.16 57.51 2cr6 n GLU 27 Cb 0.39 -1.94 0.00 0.00 -0.00 0.00 0.00 31.44 29.89 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 1.49 2.17 2.38 -1.84 0.00 0.89 -4.61 105.19 105.67 2cr6 n GLY 28 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 0.42 -4.16 1.61 7.64 -1.02 -2.08 113.62 116.03 2cr6 n SER 29 Ca 0.00 -1.48 -0.39 0.00 1.01 0.00 0.00 58.87 58.01 2cr6 n SER 29 Cb 0.00 -0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 62.58 2cr6 n SER 29 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr6 s SER 30 N -3.76 5.49 -0.14 6.43 0.01 -1.26 -2.93 113.70 117.53 2cr6 s SER 30 Ca 0.44 -2.02 -0.28 0.00 1.31 0.00 0.00 55.95 55.40 2cr6 s SER 30 Cb -0.02 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 2cr6 s SER 30 CO 0.30 -0.61 0.95 0.00 0.41 0.00 0.00 173.24 174.29 2cr6 s ALA 31 N 1.18 3.48 -0.13 1.44 0.00 -1.21 -4.80 121.76 121.72 2cr6 s ALA 31 Ca 0.08 0.23 -0.19 0.00 0.00 0.00 0.00 51.96 52.08 2cr6 s ALA 31 Cb -0.24 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2cr6 s ALA 31 CO -0.03 -0.67 0.51 0.99 0.00 0.00 0.00 175.76 176.57 2cr6 s THR 32 N 2.18 5.16 -0.55 0.00 2.01 -1.25 -2.77 115.64 120.42 2cr6 s THR 32 Ca 0.44 1.01 0.04 0.00 0.31 0.00 0.00 61.69 63.49 2cr6 s THR 32 Cb -0.17 -3.85 0.15 0.00 0.01 0.00 0.00 72.50 68.64 2cr6 s THR 32 CO 0.15 0.29 0.33 -0.36 -0.69 0.00 0.00 174.62 174.33 2cr6 s PHE 33 N 0.83 2.88 0.31 4.92 0.08 -0.52 -4.90 117.98 121.58 2cr6 s PHE 33 Ca 0.27 -3.00 -0.24 0.00 0.12 0.00 0.00 56.93 54.08 2cr6 s PHE 33 Cb -0.15 -2.45 -0.10 0.00 -0.57 0.00 0.00 43.02 39.75 2cr6 s PHE 33 CO 0.11 -0.70 0.89 0.50 -0.10 0.00 0.00 175.22 175.92 2cr6 s ARG 34 N -0.47 4.47 -0.29 0.44 3.52 -1.26 -2.98 118.95 122.37 2cr6 s ARG 34 Ca 0.20 1.19 -0.14 0.00 -0.13 0.00 0.00 55.73 56.85 2cr6 s ARG 34 Cb -0.17 -2.76 0.13 0.00 -1.56 0.00 0.00 34.95 30.58 2cr6 s ARG 34 CO -0.06 0.28 0.81 0.00 -0.81 0.00 0.00 175.30 175.52 2cr6 s ARG 36 N 2.10 4.10 -0.03 0.00 3.52 0.08 -2.52 118.95 126.20 2cr6 s ARG 36 Ca -0.07 0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.92 2cr6 s ARG 36 Cb -0.07 -3.63 0.01 0.00 -1.56 0.00 0.00 34.95 29.70 2cr6 s ARG 36 CO -0.18 -0.31 -0.06 0.96 -0.81 0.00 0.00 175.30 174.90 2cr6 s ILE 37 N 2.18 0.60 0.23 4.11 -5.25 -0.53 -0.10 121.20 122.43 2cr6 s ILE 37 Ca 0.22 -0.22 -0.06 0.00 -0.99 0.00 0.00 60.65 59.60 2cr6 s ILE 37 Cb -0.16 -0.57 -0.06 0.00 2.95 0.00 0.00 42.46 44.63 2cr6 s ILE 37 CO 0.09 0.21 0.50 -0.55 -1.79 0.00 0.00 174.94 173.40 2cr6 s SER 38 N 0.47 6.50 1.09 4.36 0.15 -0.98 -4.19 113.70 121.10 2cr6 s SER 38 Ca -0.06 0.72 -0.15 0.00 0.70 0.00 0.00 55.95 57.15 2cr6 s SER 38 Cb -0.10 -2.14 0.23 0.00 -1.71 0.00 0.00 66.02 62.30 2cr6 s SER 38 CO 0.00 -0.10 1.10 -2.16 1.20 0.00 0.00 173.24 173.29 2cr6 s PRO 39 N -3.14 -0.33 0.00 5.44 0.04 -1.26 -2.50 135.00 133.25 2cr6 s PRO 39 Ca 0.44 0.26 0.26 0.00 0.04 0.00 0.00 61.00 61.99 2cr6 s PRO 39 Cb -0.11 -1.67 1.40 0.00 0.04 0.00 0.00 34.50 34.16 2cr6 s PRO 39 CO 0.26 -3.18 1.88 0.00 0.04 0.00 0.00 177.00 176.00 2cr6 n ALA 40 N -4.45 2.36 -1.97 8.56 0.00 -1.26 -3.03 120.51 120.73 2cr6 n ALA 40 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 2cr6 n ALA 40 Cb 0.58 -1.42 0.10 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.16 2.79 -4.74 0.00 3.02 -1.26 -3.19 115.26 110.73 2cr6 n ASN 41 Ca 0.15 -3.46 -0.39 0.00 -0.03 0.00 0.00 54.58 50.86 2cr6 n ASN 41 Cb 0.15 -0.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.84 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 -3.07 3.59 0.00 3.10 6.14 -1.17 -5.03 117.35 120.92 2cr6 s TYR 42 Ca 0.41 1.09 0.00 0.00 0.64 0.00 0.00 57.07 59.22 2cr6 s TYR 42 Cb 0.38 -2.63 0.00 0.00 0.42 0.00 0.00 41.96 40.13 2cr6 s TYR 42 CO -0.04 0.22 0.00 -0.85 0.64 0.00 0.00 175.55 175.53 2cr6 n GLU 43 N 3.32 0.00 -1.09 4.97 0.28 -1.26 -4.73 120.64 122.14 2cr6 n GLU 43 Ca -0.06 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.65 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 -1.03 0.10 3.44 0.04 -1.26 -5.17 135.00 129.11 2cr6 s PRO 44 Ca 0.00 0.01 0.10 0.00 0.04 0.00 0.00 61.00 61.15 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 -3.60 -0.27 0.14 0.04 0.00 0.00 177.00 173.32 2cr6 s VAL 45 N -2.99 2.20 0.01 -0.36 -7.23 -1.26 -5.02 120.40 105.73 2cr6 s VAL 45 Ca 0.70 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2cr6 s VAL 45 Cb -0.11 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2cr6 s VAL 45 CO 0.56 0.20 0.03 -1.00 -0.31 0.00 0.00 175.10 174.58 2cr6 s HIS 46 N -0.96 3.13 -0.03 2.82 3.76 -1.11 -5.04 115.29 117.86 2cr6 s HIS 46 Ca 0.13 0.11 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 2cr6 s HIS 46 Cb -0.10 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.94 2cr6 s HIS 46 CO 0.04 0.49 -0.01 -1.58 -0.85 0.00 0.00 174.74 172.83 2cr6 s TRP 47 N -1.15 0.40 0.22 1.40 0.52 -1.26 -1.77 118.94 117.31 2cr6 s TRP 47 Ca 0.21 -0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.34 2cr6 s TRP 47 Cb -0.12 -0.45 -0.05 0.00 -1.15 0.00 0.00 33.47 31.70 2cr6 s TRP 47 CO 0.12 -0.13 -0.07 -0.06 0.02 0.00 0.00 176.95 176.83 2cr6 s PHE 48 N 0.93 1.64 -0.23 -1.98 0.40 -1.14 -0.09 117.98 117.52 2cr6 s PHE 48 Ca -0.10 -0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 55.44 2cr6 s PHE 48 Cb -0.13 -0.88 0.08 0.00 0.51 0.00 0.00 43.02 42.60 2cr6 s PHE 48 CO -0.01 0.16 0.14 -1.17 0.70 0.00 0.00 175.22 175.03 2cr6 s LEU 49 N -3.32 0.31 0.00 -0.37 1.98 -0.21 -0.11 118.68 116.96 2cr6 s LEU 49 Ca 0.25 -0.81 0.00 0.00 -2.89 0.00 0.00 54.13 50.68 2cr6 s LEU 49 Cb 0.03 -0.15 0.00 0.00 0.66 0.00 0.00 46.19 46.73 2cr6 s LEU 49 CO 0.07 -0.38 0.00 0.47 -1.89 0.00 0.00 176.35 174.62 2cr6 n ASP 50 N 5.28 0.00 -2.73 3.68 9.92 -0.87 -2.23 116.55 129.60 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 0.46 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.04 2cr6 n ASP 50 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2cr6 n LYS 51 N 0.00 1.46 -3.70 -1.24 -0.00 -1.26 -5.00 118.16 108.42 2cr6 n LYS 51 Ca 0.00 -2.07 -0.11 0.00 -0.00 0.00 0.00 58.31 56.13 2cr6 n LYS 51 Cb 0.00 -0.32 -0.10 0.00 -0.00 0.00 0.00 35.03 34.60 2cr6 n LYS 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2cr6 s THR 52 N -1.25 -0.02 0.62 0.58 2.01 -0.95 -5.16 115.64 111.48 2cr6 s THR 52 Ca 0.17 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.06 2cr6 s THR 52 Cb 0.41 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 2cr6 s THR 52 CO -0.09 0.03 1.12 -2.16 -0.69 0.00 0.00 174.62 172.82 2cr6 s PRO 53 N 1.09 3.00 -0.06 4.92 0.04 -1.26 -1.05 135.00 141.68 2cr6 s PRO 53 Ca -0.07 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.47 2cr6 s PRO 53 Cb -0.07 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.51 2cr6 s PRO 53 CO -0.09 -1.11 -0.12 -0.51 0.04 0.00 0.00 177.00 175.21 2cr6 s LEU 54 N -4.48 1.70 0.03 -3.56 1.43 0.88 -4.86 118.68 109.82 2cr6 s LEU 54 Ca 0.69 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 2cr6 s LEU 54 Cb -0.22 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 2cr6 s LEU 54 CO 0.36 0.06 -0.09 -1.00 0.23 0.00 0.00 176.35 175.90 2cr6 s HIS 55 N 0.50 0.82 0.16 0.29 3.76 -1.26 -4.17 115.29 115.40 2cr6 s HIS 55 Ca -0.11 -0.36 -0.34 0.00 -0.15 0.00 0.00 55.06 54.09 2cr6 s HIS 55 Cb -0.14 -0.49 -0.14 0.00 1.11 0.00 0.00 32.58 32.92 2cr6 s HIS 55 CO 0.03 -0.02 1.54 0.00 -0.85 0.00 0.00 174.74 175.44 2cr6 n ALA 56 N 1.90 1.15 -3.33 -1.40 0.00 -1.26 -4.60 120.51 112.97 2cr6 n ALA 56 Ca -0.19 0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.68 2cr6 n ALA 56 Cb 0.55 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2cr6 n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2cr6 n ASN 57 N 3.23 -0.70 0.06 0.00 3.02 -0.19 -4.90 115.26 115.78 2cr6 n ASN 57 Ca 0.17 -1.63 0.21 0.00 -0.03 0.00 0.00 54.58 53.29 2cr6 n ASN 57 Cb 0.28 1.21 0.74 0.00 -0.61 0.00 0.00 39.78 41.40 2cr6 n ASN 57 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2cr6 h GLU 58 N 0.00 0.00 0.00 3.52 4.81 -2.01 -2.72 114.58 118.18 2cr6 h GLU 58 Ca -0.11 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.88 2cr6 h GLU 58 Cb 0.45 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 2cr6 h GLU 58 CO 0.15 0.00 -1.89 1.28 -0.73 0.00 0.00 179.01 177.82 2cr6 n LEU 59 N -3.84 2.73 -4.73 1.64 4.77 -1.26 -4.98 117.00 111.33 2cr6 n LEU 59 Ca 0.09 -0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 2cr6 n LEU 59 Cb 0.65 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2cr6 n LEU 59 CO 0.29 0.70 0.77 0.20 -1.33 0.00 0.00 177.39 178.03 2cr6 s ASN 60 N -5.65 7.29 -0.09 -1.43 -0.87 -1.03 -1.08 114.94 112.09 2cr6 s ASN 60 Ca -0.21 1.97 0.03 0.00 -1.57 0.00 0.00 52.86 53.08 2cr6 s ASN 60 Cb 0.06 -2.59 0.01 0.00 -0.02 0.00 0.00 41.25 38.71 2cr6 s ASN 60 CO 0.35 -0.24 -0.16 -0.70 -2.57 0.00 0.00 177.10 173.78 2cr6 s GLU 61 N 0.10 2.22 -0.29 -0.60 2.12 -0.80 -1.02 118.70 120.42 2cr6 s GLU 61 Ca 0.51 -0.59 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 2cr6 s GLU 61 Cb -0.27 -1.78 0.10 0.00 0.26 0.00 0.00 34.13 32.43 2cr6 s GLU 61 CO 0.32 0.05 0.10 0.42 -0.54 0.00 0.00 175.26 175.61 2cr6 s ILE 62 N 0.65 0.54 0.48 -3.70 1.01 -1.26 -0.08 121.20 118.85 2cr6 s ILE 62 Ca -0.14 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.38 2cr6 s ILE 62 Cb -0.16 -1.39 0.10 0.00 0.01 0.00 0.00 42.46 41.02 2cr6 s ILE 62 CO 0.04 -0.65 0.66 0.47 0.00 0.00 0.00 174.94 175.46 2cr6 n ASP 63 N 4.99 0.77 -2.96 3.58 9.92 0.29 -4.97 116.55 128.18 2cr6 n ASP 63 Ca -0.04 -1.68 -0.15 0.00 -0.53 0.00 0.00 54.79 52.39 2cr6 n ASP 63 Cb 0.42 -0.44 0.01 0.00 -0.64 0.00 0.00 41.12 40.47 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 -3.01 0.51 -0.80 2.24 0.00 -1.26 -3.50 120.51 114.68 2cr6 n ALA 64 Ca -0.11 -2.39 -0.33 0.00 0.00 0.00 0.00 53.44 50.61 2cr6 n ALA 64 Cb 0.38 -1.07 0.12 0.00 0.00 0.00 0.00 19.45 18.88 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 1.09 -0.36 -2.21 0.00 6.02 0.49 -4.83 117.38 117.58 2cr6 n GLN 65 Ca 0.15 -0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 2cr6 n GLN 65 Cb 0.62 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 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 -3.51 4.34 0.00 -1.09 0.04 -1.26 -2.91 135.00 130.61 2cr6 s PRO 66 Ca 0.56 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2cr6 s PRO 66 Cb -0.20 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2cr6 s PRO 66 CO 0.68 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.75 2cr6 n GLY 67 N 3.28 1.40 2.66 0.56 0.00 -1.26 -4.41 105.19 107.42 2cr6 n GLY 67 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.39 -0.51 3.36 -0.02 0.00 -1.19 -4.67 105.19 101.76 2cr6 n GLY 68 Ca 0.00 0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.06 3.64 -0.44 1.61 2.02 -1.14 -1.46 117.35 118.52 2cr6 s TYR 69 Ca 0.12 -1.89 -0.25 0.00 -0.37 0.00 0.00 57.07 54.68 2cr6 s TYR 69 Cb -0.06 -3.93 0.02 0.00 -0.40 0.00 0.00 41.96 37.60 2cr6 s TYR 69 CO 0.15 -1.10 0.88 -1.01 -1.57 0.00 0.00 175.55 172.90 2cr6 s HIS 70 N 0.66 2.97 -0.14 2.71 3.76 -1.05 -0.38 115.29 123.83 2cr6 s HIS 70 Ca 0.22 0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 55.46 2cr6 s HIS 70 Cb -0.09 -3.81 -0.04 0.00 1.11 0.00 0.00 32.58 29.75 2cr6 s HIS 70 CO -0.09 -1.01 0.11 0.08 -0.85 0.00 0.00 174.74 172.98 2cr6 s VAL 71 N 3.56 5.27 -0.19 -0.90 1.01 -1.23 -3.28 120.40 124.64 2cr6 s VAL 71 Ca 0.35 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2cr6 s VAL 71 Cb -0.11 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.98 2cr6 s VAL 71 CO 0.24 0.57 -0.17 -0.22 0.00 0.00 0.00 175.10 175.51 2cr6 s LEU 72 N -0.61 2.31 -0.66 3.92 2.96 -1.16 -0.55 118.68 124.89 2cr6 s LEU 72 Ca 0.12 -0.77 -0.03 0.00 -0.22 0.00 0.00 54.13 53.23 2cr6 s LEU 72 Cb -0.12 -1.44 0.17 0.00 0.50 0.00 0.00 46.19 45.30 2cr6 s LEU 72 CO 0.02 -0.05 0.49 -0.89 -1.32 0.00 0.00 176.35 174.60 2cr6 s THR 73 N 1.29 3.80 -0.89 3.68 2.01 0.89 -1.44 115.64 124.97 2cr6 s THR 73 Ca 0.02 -3.10 -0.25 0.00 0.31 0.00 0.00 61.69 58.68 2cr6 s THR 73 Cb -0.14 -3.46 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 2cr6 s THR 73 CO -0.11 -0.91 1.69 -0.76 -0.69 0.00 0.00 174.62 173.84 2cr6 s LEU 74 N -0.26 3.30 0.44 4.42 1.43 -1.12 -1.91 118.68 124.99 2cr6 s LEU 74 Ca 0.18 -0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 52.27 2cr6 s LEU 74 Cb -0.18 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 2cr6 s LEU 74 CO -0.04 -2.17 1.00 -0.13 0.23 0.00 0.00 176.35 175.24 2cr6 s ARG 75 N 6.17 4.08 -0.97 1.70 0.52 -0.24 -3.36 118.95 126.84 2cr6 s ARG 75 Ca 0.58 1.31 -0.08 0.00 -0.52 0.00 0.00 55.73 57.01 2cr6 s ARG 75 Cb -0.05 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 2cr6 s ARG 75 CO 0.00 -0.18 0.80 1.04 0.02 0.00 0.00 175.30 176.98 2cr6 n GLN 76 N -0.55 -1.63 -2.21 3.54 6.02 -0.88 -4.57 117.38 117.09 2cr6 n GLN 76 Ca 0.07 0.91 -0.27 0.00 -0.01 0.00 0.00 57.00 57.70 2cr6 n GLN 76 Cb 0.52 -5.02 0.17 0.00 1.02 0.00 0.00 30.24 26.93 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 -5.30 2.83 0.05 1.08 1.43 -1.21 -4.52 118.68 113.04 2cr6 s LEU 77 Ca 0.30 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2cr6 s LEU 77 Cb -0.07 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2cr6 s LEU 77 CO 0.79 -2.53 0.06 0.00 0.23 0.00 0.00 176.35 174.89 2cr6 s ALA 78 N -3.65 0.15 0.64 4.21 0.00 -1.26 -0.08 121.76 121.77 2cr6 s ALA 78 Ca 0.73 -0.83 0.38 0.00 0.00 0.00 0.00 51.96 52.24 2cr6 s ALA 78 Cb -0.03 0.30 2.16 0.00 0.00 0.00 0.00 23.12 25.54 2cr6 s ALA 78 CO 0.50 -0.37 2.30 -0.07 0.00 0.00 0.00 175.76 178.12 2cr6 h LEU 79 N 3.34 0.00 -0.11 0.00 3.38 -1.89 0.24 115.31 120.26 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 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2cr6 h LEU 79 CO 0.57 0.00 -0.01 2.29 0.09 0.00 0.00 178.44 181.38 2cr6 n LYS 80 N -3.35 0.95 0.06 1.13 2.85 -1.26 -3.12 118.16 115.42 2cr6 n LYS 80 Ca -0.03 -0.11 0.08 0.00 -1.05 0.00 0.00 58.31 57.20 2cr6 n LYS 80 Cb 0.11 -1.50 -0.05 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 -0.93 0.70 -4.47 -5.58 2.03 0.83 -4.89 116.55 104.24 2cr6 n ASP 81 Ca 0.21 0.28 -0.51 0.00 0.52 0.00 0.00 54.79 55.29 2cr6 n ASP 81 Cb 0.17 0.64 -0.07 0.00 -0.72 0.00 0.00 41.12 41.14 2cr6 n ASP 81 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2cr6 n SER 82 N -2.66 2.24 0.00 1.67 7.64 -1.18 -4.65 113.62 116.68 2cr6 n SER 82 Ca -0.04 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2cr6 n SER 82 Cb 0.64 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 6.31 1.15 3.32 0.23 0.00 0.40 -4.97 105.19 111.62 2cr6 n GLY 83 Ca 0.39 0.38 -0.02 0.00 0.00 0.00 0.00 46.02 46.77 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 2.09 -0.88 -0.03 2.61 2.01 -1.26 -1.89 115.64 118.29 2cr6 s THR 84 Ca 0.00 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 2cr6 s THR 84 Cb 0.00 -0.92 -0.07 0.00 0.01 0.00 0.00 72.50 71.53 2cr6 s THR 84 CO 0.00 -0.00 1.77 -0.63 -0.69 0.00 0.00 174.62 175.07 2cr6 s ILE 85 N 2.79 3.38 -0.93 1.82 -1.09 -0.85 -2.05 121.20 124.26 2cr6 s ILE 85 Ca 0.06 0.46 -0.05 0.00 -2.23 0.00 0.00 60.65 58.89 2cr6 s ILE 85 Cb -0.13 -3.30 0.23 0.00 -1.58 0.00 0.00 42.46 37.67 2cr6 s ILE 85 CO -0.18 -0.05 0.85 -0.31 -1.23 0.00 0.00 174.94 174.02 2cr6 s TYR 86 N 4.33 3.97 0.67 3.97 2.02 0.85 -2.64 117.35 130.52 2cr6 s TYR 86 Ca 0.79 -2.86 -0.17 0.00 -0.37 0.00 0.00 57.07 54.46 2cr6 s TYR 86 Cb -0.36 -3.44 0.00 0.00 -0.40 0.00 0.00 41.96 37.76 2cr6 s TYR 86 CO 0.34 -0.82 1.25 0.12 -1.57 0.00 0.00 175.55 174.87 2cr6 s PHE 87 N -1.16 2.10 -0.02 2.71 5.36 -1.20 -2.87 117.98 122.90 2cr6 s PHE 87 Ca 0.27 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.78 2cr6 s PHE 87 Cb -0.09 -3.59 0.01 0.00 -0.34 0.00 0.00 43.02 39.01 2cr6 s PHE 87 CO -0.10 -2.73 -0.03 -1.21 -1.46 0.00 0.00 175.22 169.69 2cr6 s GLU 88 N -3.56 0.49 -0.31 10.12 2.02 -0.73 -2.53 118.70 124.20 2cr6 s GLU 88 Ca 0.79 -0.07 -0.00 0.00 0.02 0.00 0.00 54.97 55.70 2cr6 s GLU 88 Cb -0.34 -0.55 0.19 0.00 0.10 0.00 0.00 34.13 33.54 2cr6 s GLU 88 CO 0.41 -0.03 0.78 0.00 0.02 0.00 0.00 175.26 176.44 2cr6 s ALA 89 N 0.55 -3.09 0.00 5.21 0.00 -1.25 -2.75 121.76 120.44 2cr6 s ALA 89 Ca -0.06 1.04 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2cr6 s ALA 89 Cb -0.10 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2cr6 s ALA 89 CO -0.01 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.13 2cr6 n GLY 90 N 5.01 1.87 0.37 0.00 0.00 -1.26 -3.11 105.19 108.07 2cr6 n GLY 90 Ca 0.07 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 9.48 2.83 -4.48 1.61 2.03 -1.26 -4.97 116.55 121.79 2cr6 n ASP 91 Ca 0.00 -2.80 -0.24 0.00 0.52 0.00 0.00 54.79 52.27 2cr6 n ASP 91 Cb 0.00 -0.38 -0.01 0.00 -0.72 0.00 0.00 41.12 40.01 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 -0.82 0.80 -3.22 -0.67 1.13 -1.18 -5.04 117.38 108.37 2cr6 n GLN 92 Ca 0.15 -3.10 0.04 0.00 -1.94 0.00 0.00 57.00 52.15 2cr6 n GLN 92 Cb 0.64 0.44 -0.03 0.00 0.11 0.00 0.00 30.24 31.40 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 -3.92 0.20 0.82 -1.09 3.52 -1.26 -3.85 118.95 113.37 2cr6 s ARG 93 Ca 0.22 0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 56.13 2cr6 s ARG 93 Cb -0.02 0.24 0.11 0.00 -1.56 0.00 0.00 34.95 33.73 2cr6 s ARG 93 CO 0.14 -0.16 1.18 0.00 -0.81 0.00 0.00 175.30 175.64 2cr6 s ALA 94 N 2.70 2.69 -0.30 6.12 0.00 -1.05 -4.90 121.76 127.02 2cr6 s ALA 94 Ca -0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 2cr6 s ALA 94 Cb -0.08 -2.80 0.18 0.00 0.00 0.00 0.00 23.12 20.42 2cr6 s ALA 94 CO -0.14 -1.79 0.59 -1.54 0.00 0.00 0.00 175.76 172.88 2cr6 s SER 95 N -4.65 -1.28 0.03 0.00 1.04 -1.24 -3.25 113.70 104.34 2cr6 s SER 95 Ca 0.65 0.90 0.08 0.00 0.48 0.00 0.00 55.95 58.06 2cr6 s SER 95 Cb -0.09 2.12 -0.02 0.00 0.10 0.00 0.00 66.02 68.13 2cr6 s SER 95 CO 0.49 -0.26 -0.23 0.00 0.98 0.00 0.00 173.24 174.22 2cr6 s ALA 96 N 2.85 1.99 -0.67 5.32 0.00 -1.08 -4.82 121.76 125.34 2cr6 s ALA 96 Ca 0.18 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.75 2cr6 s ALA 96 Cb -0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 2cr6 s ALA 96 CO -0.21 0.47 1.72 0.00 0.00 0.00 0.00 175.76 177.74 2cr6 s ALA 97 N -0.75 2.29 -0.77 0.00 0.00 -1.26 -2.01 121.76 119.26 2cr6 s ALA 97 Ca 0.09 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 2cr6 s ALA 97 Cb -0.09 -4.32 0.08 0.00 0.00 0.00 0.00 23.12 18.79 2cr6 s ALA 97 CO 0.01 -3.81 1.08 -1.17 0.00 0.00 0.00 175.76 171.88 2cr6 s LEU 98 N 8.25 4.38 -0.06 0.00 2.96 -0.79 -2.00 118.68 131.42 2cr6 s LEU 98 Ca 0.59 -1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.14 2cr6 s LEU 98 Cb -0.11 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 2cr6 s LEU 98 CO 0.17 -1.38 0.22 -0.13 -1.32 0.00 0.00 176.35 173.91 2cr6 s ARG 99 N 3.91 3.55 -0.25 1.98 1.81 0.69 -0.46 118.95 130.19 2cr6 s ARG 99 Ca 0.28 -0.04 -0.02 0.00 -1.72 0.00 0.00 55.73 54.23 2cr6 s ARG 99 Cb -0.11 -3.16 0.13 0.00 -0.45 0.00 0.00 34.95 31.35 2cr6 s ARG 99 CO 0.03 0.73 0.32 0.08 -0.68 0.00 0.00 175.30 175.78 2cr6 s VAL 100 N -1.12 -0.48 0.63 3.52 1.01 -1.26 -3.03 120.40 119.66 2cr6 s VAL 100 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2cr6 s VAL 100 Cb -0.13 -0.85 0.07 0.00 0.00 0.00 0.00 36.38 35.46 2cr6 s VAL 100 CO 0.09 -0.26 0.88 0.42 0.00 0.00 0.00 175.10 176.23 2cr6 s THR 101 N 2.44 2.44 1.11 3.92 -4.23 -1.04 -4.68 115.64 115.59 2cr6 s THR 101 Ca 0.10 -0.58 -0.18 0.00 -1.18 0.00 0.00 61.69 59.85 2cr6 s THR 101 Cb -0.15 -2.86 0.11 0.00 1.34 0.00 0.00 72.50 70.94 2cr6 s THR 101 CO -0.22 0.00 0.12 -0.62 -0.54 0.00 0.00 174.62 173.37 2cr6 n GLU 102 N -2.59 -1.52 -4.19 3.99 1.02 -1.26 -0.02 120.64 116.07 2cr6 n GLU 102 Ca 0.10 -0.42 -0.14 0.00 -0.02 0.00 0.00 57.16 56.68 2cr6 n GLU 102 Cb 0.60 -1.75 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 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 -3.54 0.89 0.30 3.49 0.00 -1.26 -3.98 119.74 115.64 2cr6 s LYS 103 Ca 0.57 -1.26 0.09 0.00 0.00 0.00 0.00 55.97 55.37 2cr6 s LYS 103 Cb -0.14 -0.49 0.48 0.00 0.00 0.00 0.00 37.83 37.68 2cr6 s LYS 103 CO 0.66 0.06 1.70 -1.00 0.00 0.00 0.00 175.35 176.77 2cr6 h PRO 104 N 3.27 0.12 -1.92 1.78 0.13 -1.96 -3.46 132.00 129.96 2cr6 h PRO 104 Ca -0.37 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2cr6 h PRO 104 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.12 2cr6 h PRO 104 CO 0.57 0.57 0.33 -1.12 -0.23 0.00 0.00 178.00 178.12 2cr6 s SER 105 N -6.89 -0.54 -0.13 1.44 0.01 -1.26 -5.18 113.70 101.15 2cr6 s SER 105 Ca -0.03 0.53 -0.30 0.00 1.31 0.00 0.00 55.95 57.46 2cr6 s SER 105 Cb 0.13 0.45 0.11 0.00 0.21 0.00 0.00 66.02 66.93 2cr6 s SER 105 CO 0.76 -0.54 0.91 0.54 0.41 0.00 0.00 173.24 175.32 2cr6 s VAL 106 N -1.40 0.00 0.00 3.43 0.11 -1.26 -4.97 120.40 116.30 2cr6 s VAL 106 Ca -0.06 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2cr6 s VAL 106 Cb -0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2cr6 s VAL 106 CO 0.05 0.00 0.00 0.49 -3.33 0.00 0.00 175.10 172.31 2cr6 n PHE 107 N 0.79 0.00 -3.65 1.54 3.72 -1.26 -5.08 117.46 113.52 2cr6 n PHE 107 Ca -0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.25 2cr6 n PHE 107 Cb 0.58 -0.19 -0.07 0.00 -0.94 0.00 0.00 39.48 38.86 2cr6 n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2cr6 s SER 108 N -2.42 -0.04 0.00 4.37 1.04 -1.26 -5.11 113.70 110.28 2cr6 s SER 108 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2cr6 s SER 108 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2cr6 s SER 108 CO 0.00 -0.01 0.00 -1.14 0.98 0.00 0.00 173.24 173.07 2cr6 n ARG 109 N 1.69 0.00 -3.64 4.02 0.63 -1.26 -5.01 116.66 113.10 2cr6 n ARG 109 Ca -0.11 0.14 -0.14 0.00 -0.92 0.00 0.00 57.85 56.82 2cr6 n ARG 109 Cb 0.57 -0.54 -0.13 0.00 0.45 0.00 0.00 32.46 32.81 2cr6 n ARG 109 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2cr6 s SER 110 N -2.39 0.52 0.00 6.15 0.15 -1.26 -5.06 113.70 111.81 2cr6 s SER 110 Ca 0.00 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2cr6 s SER 110 Cb 0.00 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2cr6 s SER 110 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2cr6 n GLY 111 N 5.34 -0.00 3.66 9.45 0.00 -1.26 -5.15 105.19 117.23 2cr6 n GLY 111 Ca -0.06 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.93 0.18 -0.26 1.61 0.04 -1.26 -5.04 135.00 128.33 2cr6 s PRO 112 Ca 0.00 0.44 0.01 0.00 0.04 0.00 0.00 61.00 61.49 2cr6 s PRO 112 Cb 0.00 -1.71 0.05 0.00 0.04 0.00 0.00 34.50 32.87 2cr6 s PRO 112 CO 0.00 -2.88 -0.09 0.45 0.04 0.00 0.00 177.00 174.51 2cr6 s SER 113 N -3.49 4.36 -0.30 6.66 0.15 -1.26 -5.09 113.70 114.73 2cr6 s SER 113 Ca 0.66 -1.23 -0.11 0.00 0.70 0.00 0.00 55.95 55.97 2cr6 s SER 113 Cb -0.18 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.51 2cr6 s SER 113 CO 0.58 -0.17 0.20 -0.94 1.20 0.00 0.00 173.24 174.10 2cr6 s SER 114 N 1.18 5.96 0.00 5.45 1.04 -1.26 -5.34 113.70 120.73 2cr6 s SER 114 Ca -0.06 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.17 2cr6 s SER 114 Cb -0.19 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2cr6 s SER 114 CO -0.05 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.65