#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 -0.39 -0.48 1.61 1.04 -1.26 -5.09 113.70 109.13 2cr6 s SER 2 Ca 0.00 -0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.19 2cr6 s SER 2 Cb 0.00 0.65 0.34 0.00 0.10 0.00 0.00 66.02 67.11 2cr6 s SER 2 CO 0.00 -1.14 0.83 -0.24 0.98 0.00 0.00 173.24 173.67 2cr6 n SER 3 N -0.42 2.72 0.00 7.02 2.88 -1.26 -5.09 113.62 119.47 2cr6 n SER 3 Ca -0.10 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.09 2cr6 n SER 3 Cb 0.62 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.07 1.25 3.95 0.46 0.00 -1.26 -5.05 105.19 104.60 2cr6 n GLY 4 Ca 0.28 -2.13 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 2cr6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr6 s SER 5 N 0.00 6.34 0.08 1.61 0.15 -1.26 -5.11 113.70 115.52 2cr6 s SER 5 Ca 0.00 0.22 -0.27 0.00 0.70 0.00 0.00 55.95 56.60 2cr6 s SER 5 Cb 0.00 -1.93 0.09 0.00 -1.71 0.00 0.00 66.02 62.47 2cr6 s SER 5 CO 0.00 -0.02 1.11 -0.94 1.20 0.00 0.00 173.24 174.59 2cr6 s SER 6 N -3.43 -0.11 0.32 5.45 1.04 -1.26 -5.16 113.70 110.55 2cr6 s SER 6 Ca 0.36 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2cr6 s SER 6 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2cr6 s SER 6 CO 0.29 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2cr6 n GLY 7 N -0.50 -1.58 2.30 7.32 0.00 -1.26 -4.68 105.19 106.79 2cr6 n GLY 7 Ca -0.07 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 2cr6 n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2cr6 n LEU 8 N 0.00 1.56 -4.26 0.99 -0.00 -1.26 -5.12 117.00 108.91 2cr6 n LEU 8 Ca 0.01 -5.00 -0.29 0.00 -0.00 0.00 0.00 56.01 50.73 2cr6 n LEU 8 Cb 0.54 0.18 0.27 0.00 -0.00 0.00 0.00 43.42 44.41 2cr6 n LEU 8 CO 0.01 2.10 0.30 1.33 -0.00 0.00 0.00 177.39 181.13 2cr6 n VAL 9 N 1.05 0.00 -3.51 1.47 0.24 -1.26 -5.04 118.33 111.28 2cr6 n VAL 9 Ca 0.25 -0.16 -0.20 0.00 -2.04 0.00 0.00 64.34 62.18 2cr6 n VAL 9 Cb 0.50 -0.92 -0.13 0.00 -1.47 0.00 0.00 33.84 31.82 2cr6 n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2cr6 s GLN 10 N -4.61 0.18 0.00 7.34 -2.07 -1.26 -5.10 119.66 114.14 2cr6 s GLN 10 Ca 0.64 0.07 0.00 0.00 -1.82 0.00 0.00 55.36 54.24 2cr6 s GLN 10 Cb -0.15 -1.26 0.00 0.00 -1.09 0.00 0.00 33.01 30.51 2cr6 s GLN 10 CO 0.57 -0.72 0.00 0.41 -1.32 0.00 0.00 175.29 174.23 2cr6 n GLY 11 N 5.31 3.75 3.54 2.60 0.00 -1.26 -5.13 105.19 113.99 2cr6 n GLY 11 Ca -0.05 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 0.68 -4.82 1.61 1.74 -1.26 -5.01 116.66 109.60 2cr6 n ARG 12 Ca 0.00 0.27 -0.26 0.00 -0.77 0.00 0.00 57.85 57.09 2cr6 n ARG 12 Cb 0.00 -1.93 -0.16 0.00 -1.02 0.00 0.00 32.46 29.35 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 -2.43 1.74 -0.07 5.56 6.06 -1.26 -4.95 118.95 123.59 2cr6 s ARG 13 Ca 0.73 -0.60 -0.10 0.00 -2.50 0.00 0.00 55.73 53.25 2cr6 s ARG 13 Cb -0.43 -1.52 -0.05 0.00 0.06 0.00 0.00 34.95 33.01 2cr6 s ARG 13 CO 0.50 0.25 0.25 0.08 -2.50 0.00 0.00 175.30 173.88 2cr6 s VAL 14 N 0.02 5.31 -0.19 7.11 1.01 -1.26 -4.45 120.40 127.94 2cr6 s VAL 14 Ca -0.03 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 2cr6 s VAL 14 Cb -0.11 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.79 2cr6 s VAL 14 CO 0.02 0.60 -0.01 -1.00 0.00 0.00 0.00 175.10 174.71 2cr6 s HIS 15 N -1.01 1.50 -0.54 5.22 3.76 -1.04 -4.67 115.29 118.51 2cr6 s HIS 15 Ca 0.19 -1.11 -0.26 0.00 -0.15 0.00 0.00 55.06 53.73 2cr6 s HIS 15 Cb -0.14 -1.22 -0.08 0.00 1.11 0.00 0.00 32.58 32.25 2cr6 s HIS 15 CO 0.08 -0.64 2.42 -0.89 -0.85 0.00 0.00 174.74 174.86 2cr6 n ILE 16 N 4.92 -0.07 0.16 0.60 2.08 -1.26 -2.15 119.36 123.63 2cr6 n ILE 16 Ca -0.10 -0.75 -0.07 0.00 0.56 0.00 0.00 62.75 62.38 2cr6 n ILE 16 Cb 0.47 -2.67 -0.03 0.00 -0.75 0.00 0.00 39.64 36.65 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 -2.90 1.39 2.04 -1.03 -3.41 117.51 121.31 2cr6 h ILE 17 Ca -0.20 -0.44 -0.61 0.00 1.00 0.00 0.00 64.86 64.61 2cr6 h ILE 17 Cb 1.22 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.90 2cr6 h ILE 17 CO 1.13 0.00 -0.71 -1.61 0.00 0.00 0.00 178.15 176.97 2cr6 s GLU 18 N -3.10 1.84 0.88 2.37 2.02 0.84 -4.96 118.70 118.59 2cr6 s GLU 18 Ca -0.07 -2.77 -0.14 0.00 0.02 0.00 0.00 54.97 52.01 2cr6 s GLU 18 Cb 0.01 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.53 2cr6 s GLU 18 CO 0.20 -1.28 0.45 -3.47 0.02 0.00 0.00 175.26 171.18 2cr6 n ASP 19 N 2.51 -1.76 -3.89 -0.19 -0.08 -1.26 -1.32 116.55 110.56 2cr6 n ASP 19 Ca 0.20 0.42 -0.27 0.00 -1.51 0.00 0.00 54.79 53.62 2cr6 n ASP 19 Cb 0.38 -1.21 0.21 0.00 2.34 0.00 0.00 41.12 42.84 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 -0.99 -1.56 0.00 -2.67 4.77 -1.26 -4.82 117.00 110.48 2cr6 n LEU 20 Ca 0.08 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 2cr6 n LEU 20 Cb 0.52 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2cr6 n LEU 20 CO 0.50 -3.51 0.00 -0.62 -1.33 0.00 0.00 177.39 172.44 2cr6 n GLU 21 N -3.27 0.00 0.00 3.23 1.02 -1.26 -4.88 120.64 115.48 2cr6 n GLU 21 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2cr6 n GLU 21 Cb 0.53 -0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 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 -1.56 0.00 -3.75 1.62 5.68 -1.26 -4.00 116.55 113.28 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 -0.84 -4.97 120.40 115.47 2cr6 s VAL 23 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2cr6 s VAL 23 Cb 0.00 -0.54 0.15 0.00 0.00 0.00 0.00 36.38 35.99 2cr6 s VAL 23 CO 0.00 -0.08 0.40 1.51 0.00 0.00 0.00 175.10 176.93 2cr6 s ASP 24 N -0.31 0.30 0.11 3.32 -4.77 -1.25 -0.14 116.67 113.93 2cr6 s ASP 24 Ca -0.04 -0.11 -0.11 0.00 -3.30 0.00 0.00 52.55 48.99 2cr6 s ASP 24 Cb -0.03 1.13 0.01 0.00 -1.09 0.00 0.00 42.92 42.94 2cr6 s ASP 24 CO 0.02 -0.33 0.26 0.68 0.70 0.00 0.00 175.17 176.49 2cr6 s VAL 25 N 2.55 0.12 0.47 2.11 -7.23 -1.16 -4.98 120.40 112.28 2cr6 s VAL 25 Ca 0.11 -1.05 -0.24 0.00 -1.81 0.00 0.00 61.98 58.99 2cr6 s VAL 25 Cb -0.14 -1.35 -0.08 0.00 0.56 0.00 0.00 36.38 35.37 2cr6 s VAL 25 CO -0.24 -0.52 1.35 0.00 -0.31 0.00 0.00 175.10 175.37 2cr6 n GLN 26 N -0.12 1.98 -1.75 4.82 10.64 -1.26 -2.42 117.38 129.27 2cr6 n GLN 26 Ca -0.14 0.71 -0.39 0.00 -1.83 0.00 0.00 57.00 55.35 2cr6 n GLN 26 Cb 0.63 -2.53 0.04 0.00 -0.86 0.00 0.00 30.24 27.52 2cr6 n GLN 26 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2cr6 n GLU 27 N -0.33 1.89 0.00 2.61 -0.00 0.93 -2.58 120.64 123.15 2cr6 n GLU 27 Ca 0.07 0.69 0.00 0.00 -0.00 0.00 0.00 57.16 57.92 2cr6 n GLU 27 Cb 0.42 -2.61 0.00 0.00 -0.00 0.00 0.00 31.44 29.25 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 0.68 2.00 2.33 -1.84 0.00 0.84 -4.61 105.19 104.59 2cr6 n GLY 28 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 0.36 -4.29 1.61 7.64 -1.07 -2.01 113.62 115.87 2cr6 n SER 29 Ca 0.00 -1.45 -0.40 0.00 1.01 0.00 0.00 58.87 58.03 2cr6 n SER 29 Cb 0.00 -0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 62.57 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 -3.74 5.64 -0.15 6.43 1.04 -1.26 -2.81 113.70 118.86 2cr6 s SER 30 Ca 0.43 -1.36 -0.19 0.00 0.48 0.00 0.00 55.95 55.31 2cr6 s SER 30 Cb -0.02 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.08 2cr6 s SER 30 CO 0.30 -0.49 0.53 0.00 0.98 0.00 0.00 173.24 174.55 2cr6 s ALA 31 N 1.46 3.49 -0.05 5.32 0.00 -1.09 -4.85 121.76 126.03 2cr6 s ALA 31 Ca 0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 51.60 2cr6 s ALA 31 Cb -0.22 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 2cr6 s ALA 31 CO 0.03 -0.21 0.37 0.99 0.00 0.00 0.00 175.76 176.94 2cr6 s THR 32 N 1.11 5.14 -0.40 0.00 2.01 -1.25 -2.06 115.64 120.19 2cr6 s THR 32 Ca 0.27 0.75 0.01 0.00 0.31 0.00 0.00 61.69 63.03 2cr6 s THR 32 Cb -0.15 -3.69 0.14 0.00 0.01 0.00 0.00 72.50 68.81 2cr6 s THR 32 CO 0.11 0.51 0.23 -0.36 -0.69 0.00 0.00 174.62 174.42 2cr6 s PHE 33 N -0.57 1.45 0.34 4.92 0.08 -0.55 -4.88 117.98 118.77 2cr6 s PHE 33 Ca 0.22 -2.09 -0.16 0.00 0.12 0.00 0.00 56.93 55.01 2cr6 s PHE 33 Cb -0.15 -1.47 -0.09 0.00 -0.57 0.00 0.00 43.02 40.74 2cr6 s PHE 33 CO 0.10 -0.80 0.78 1.03 -0.10 0.00 0.00 175.22 176.23 2cr6 s ARG 34 N 0.64 4.06 -0.29 0.44 0.52 -1.26 -2.71 118.95 120.34 2cr6 s ARG 34 Ca 0.18 0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 56.02 2cr6 s ARG 34 Cb -0.23 -2.40 0.12 0.00 0.52 0.00 0.00 34.95 32.96 2cr6 s ARG 34 CO 0.00 0.13 0.78 0.00 0.02 0.00 0.00 175.30 176.23 2cr6 s ARG 36 N 2.13 3.22 -0.06 0.00 3.52 -0.43 -2.31 118.95 125.02 2cr6 s ARG 36 Ca -0.07 -0.52 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 2cr6 s ARG 36 Cb -0.07 -3.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 2cr6 s ARG 36 CO -0.18 -0.93 -0.15 0.96 -0.81 0.00 0.00 175.30 174.19 2cr6 s ILE 37 N 2.52 1.33 0.24 4.11 -5.25 -0.90 -0.11 121.20 123.13 2cr6 s ILE 37 Ca 0.18 -0.62 -0.07 0.00 -0.99 0.00 0.00 60.65 59.15 2cr6 s ILE 37 Cb -0.15 -1.17 -0.06 0.00 2.95 0.00 0.00 42.46 44.02 2cr6 s ILE 37 CO 0.17 0.39 0.52 -0.55 -1.79 0.00 0.00 174.94 173.68 2cr6 s SER 38 N 0.35 6.52 1.00 4.36 0.15 -0.92 -4.14 113.70 121.02 2cr6 s SER 38 Ca -0.10 0.78 -0.12 0.00 0.70 0.00 0.00 55.95 57.20 2cr6 s SER 38 Cb -0.14 -2.17 0.19 0.00 -1.71 0.00 0.00 66.02 62.19 2cr6 s SER 38 CO 0.03 -0.11 1.09 -2.16 1.20 0.00 0.00 173.24 173.30 2cr6 s PRO 39 N -3.12 0.43 0.00 5.44 0.04 -1.26 -2.49 135.00 134.04 2cr6 s PRO 39 Ca 0.45 0.53 0.20 0.00 0.04 0.00 0.00 61.00 62.22 2cr6 s PRO 39 Cb -0.11 -1.74 0.97 0.00 0.04 0.00 0.00 34.50 33.66 2cr6 s PRO 39 CO 0.26 -2.73 1.63 0.00 0.04 0.00 0.00 177.00 176.19 2cr6 n ALA 40 N -4.18 2.02 -1.84 8.56 0.00 -1.26 -2.78 120.51 121.03 2cr6 n ALA 40 Ca 0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 2cr6 n ALA 40 Cb 0.57 -1.32 0.11 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.33 3.41 -4.75 0.00 3.02 -1.26 -2.96 115.26 111.39 2cr6 n ASN 41 Ca 0.08 -3.79 -0.39 0.00 -0.03 0.00 0.00 54.58 50.46 2cr6 n ASN 41 Cb 0.17 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 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 -3.41 3.63 0.00 3.10 6.14 -1.12 -5.04 117.35 120.66 2cr6 s TYR 42 Ca 0.45 1.14 0.00 0.00 0.64 0.00 0.00 57.07 59.30 2cr6 s TYR 42 Cb 0.39 -2.62 0.00 0.00 0.42 0.00 0.00 41.96 40.15 2cr6 s TYR 42 CO -0.01 0.28 0.00 -0.85 0.64 0.00 0.00 175.55 175.60 2cr6 n GLU 43 N 3.07 0.00 -1.09 4.97 0.28 -1.26 -4.73 120.64 121.89 2cr6 n GLU 43 Ca -0.06 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.64 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 -1.08 0.09 3.44 0.04 -1.26 -5.17 135.00 129.06 2cr6 s PRO 44 Ca 0.00 -0.02 0.09 0.00 0.04 0.00 0.00 61.00 61.12 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 -0.25 0.14 0.04 0.00 0.00 177.00 173.31 2cr6 s VAL 45 N -3.00 2.03 0.09 -0.36 -7.23 -1.26 -5.02 120.40 105.64 2cr6 s VAL 45 Ca 0.70 -1.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.36 2cr6 s VAL 45 Cb -0.11 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2cr6 s VAL 45 CO 0.56 0.13 0.03 -1.00 -0.31 0.00 0.00 175.10 174.52 2cr6 s HIS 46 N -0.99 3.08 -0.04 2.82 3.76 -1.15 -5.04 115.29 117.72 2cr6 s HIS 46 Ca 0.11 0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.03 2cr6 s HIS 46 Cb -0.10 -1.57 0.03 0.00 1.11 0.00 0.00 32.58 32.05 2cr6 s HIS 46 CO 0.04 0.50 0.07 -1.58 -0.85 0.00 0.00 174.74 172.92 2cr6 s TRP 47 N -1.34 -0.04 0.20 1.40 0.52 -1.26 -2.38 118.94 116.03 2cr6 s TRP 47 Ca 0.27 0.26 0.05 0.00 0.02 0.00 0.00 56.10 56.71 2cr6 s TRP 47 Cb -0.12 -0.19 -0.05 0.00 -1.15 0.00 0.00 33.47 31.96 2cr6 s TRP 47 CO 0.20 -0.12 -0.08 -0.06 0.02 0.00 0.00 176.95 176.90 2cr6 s PHE 48 N 1.14 1.53 -0.25 -1.98 0.40 -1.09 -0.03 117.98 117.70 2cr6 s PHE 48 Ca -0.09 -0.74 -0.04 0.00 -0.60 0.00 0.00 56.93 55.46 2cr6 s PHE 48 Cb -0.12 -0.80 0.09 0.00 0.51 0.00 0.00 43.02 42.69 2cr6 s PHE 48 CO -0.04 0.15 0.11 -1.17 0.70 0.00 0.00 175.22 174.97 2cr6 s LEU 49 N -3.27 0.66 0.00 -0.37 1.98 -0.25 -0.08 118.68 117.35 2cr6 s LEU 49 Ca 0.22 -1.09 0.00 0.00 -2.89 0.00 0.00 54.13 50.37 2cr6 s LEU 49 Cb 0.03 -0.37 0.00 0.00 0.66 0.00 0.00 46.19 46.50 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 5.21 0.00 -2.74 3.68 9.92 -0.97 -2.24 116.55 129.42 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 0.44 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 2.29 0.13 0.00 0.00 177.20 179.62 2cr6 n LYS 51 N 0.00 1.49 -3.70 -1.24 -0.00 -1.26 -4.99 118.16 108.46 2cr6 n LYS 51 Ca 0.00 -2.21 -0.11 0.00 -0.00 0.00 0.00 58.31 56.00 2cr6 n LYS 51 Cb 0.00 -0.44 -0.11 0.00 -0.00 0.00 0.00 35.03 34.47 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 -1.51 -0.03 0.54 0.58 2.01 -0.95 -5.16 115.64 111.12 2cr6 s THR 52 Ca 0.17 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 2cr6 s THR 52 Cb 0.40 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 72.28 2cr6 s THR 52 CO -0.09 0.04 1.13 -2.16 -0.69 0.00 0.00 174.62 172.85 2cr6 s PRO 53 N 1.37 3.38 -0.03 4.92 0.04 -1.26 -1.09 135.00 142.34 2cr6 s PRO 53 Ca -0.09 1.61 0.06 0.00 0.04 0.00 0.00 61.00 62.62 2cr6 s PRO 53 Cb -0.09 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2cr6 s PRO 53 CO -0.12 -0.83 -0.20 -0.51 0.04 0.00 0.00 177.00 175.38 2cr6 s LEU 54 N -3.76 2.01 0.01 -3.56 1.43 0.95 -4.88 118.68 110.88 2cr6 s LEU 54 Ca 0.72 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2cr6 s LEU 54 Cb -0.24 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 2cr6 s LEU 54 CO 0.27 0.23 -0.01 -1.00 0.23 0.00 0.00 176.35 176.07 2cr6 s HIS 55 N -0.32 0.12 0.13 0.29 3.76 -1.26 -4.22 115.29 113.79 2cr6 s HIS 55 Ca 0.04 -0.25 -0.34 0.00 -0.15 0.00 0.00 55.06 54.36 2cr6 s HIS 55 Cb -0.09 -0.09 -0.14 0.00 1.11 0.00 0.00 32.58 33.36 2cr6 s HIS 55 CO 0.00 -0.10 1.57 0.00 -0.85 0.00 0.00 174.74 175.36 2cr6 n ALA 56 N 2.31 0.99 -3.39 -1.40 0.00 -1.26 -4.62 120.51 113.15 2cr6 n ALA 56 Ca -0.18 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 2cr6 n ALA 56 Cb 0.57 -2.32 -0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 3.54 -0.73 -0.04 0.00 3.02 0.89 -4.90 115.26 117.05 2cr6 n ASN 57 Ca 0.18 -1.73 0.24 0.00 -0.03 0.00 0.00 54.58 53.23 2cr6 n ASN 57 Cb 0.27 1.28 0.72 0.00 -0.61 0.00 0.00 39.78 41.44 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 -2.02 -2.57 114.58 118.33 2cr6 h GLU 58 Ca -0.12 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.85 2cr6 h GLU 58 Cb 0.50 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2cr6 h GLU 58 CO 0.16 0.00 -1.96 1.28 -0.73 0.00 0.00 179.01 177.76 2cr6 n LEU 59 N -4.00 2.92 -4.70 1.64 4.77 -1.26 -4.96 117.00 111.40 2cr6 n LEU 59 Ca 0.13 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 2cr6 n LEU 59 Cb 0.78 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2cr6 n LEU 59 CO 0.33 0.78 0.70 0.20 -1.33 0.00 0.00 177.39 178.07 2cr6 s ASN 60 N -5.62 7.28 -0.09 -1.43 -0.87 -0.97 -1.73 114.94 111.52 2cr6 s ASN 60 Ca -0.22 1.56 0.03 0.00 -1.57 0.00 0.00 52.86 52.66 2cr6 s ASN 60 Cb 0.06 -2.55 0.01 0.00 -0.02 0.00 0.00 41.25 38.74 2cr6 s ASN 60 CO 0.39 -0.33 -0.19 -0.70 -2.57 0.00 0.00 177.10 173.70 2cr6 s GLU 61 N 1.45 2.51 -0.36 -0.60 -6.30 -1.00 -0.08 118.70 114.32 2cr6 s GLU 61 Ca 0.49 -0.69 0.00 0.00 -2.50 0.00 0.00 54.97 52.27 2cr6 s GLU 61 Cb -0.20 -1.94 0.11 0.00 0.00 0.00 0.00 34.13 32.11 2cr6 s GLU 61 CO 0.23 0.12 0.15 0.42 0.02 0.00 0.00 175.26 176.19 2cr6 s ILE 62 N 0.48 1.04 0.91 -3.70 1.01 -1.26 -0.10 121.20 119.57 2cr6 s ILE 62 Ca -0.17 -1.83 -0.12 0.00 0.00 0.00 0.00 60.65 58.53 2cr6 s ILE 62 Cb -0.17 -1.76 0.19 0.00 0.01 0.00 0.00 42.46 40.73 2cr6 s ILE 62 CO 0.07 -0.77 1.24 -1.81 0.00 0.00 0.00 174.94 173.67 2cr6 s ASP 63 N 1.14 3.34 -0.40 3.58 1.01 0.25 -4.94 116.67 120.64 2cr6 s ASP 63 Ca 0.13 0.02 0.08 0.00 0.71 0.00 0.00 52.55 53.49 2cr6 s ASP 63 Cb -0.20 -0.10 0.27 0.00 1.01 0.00 0.00 42.92 43.90 2cr6 s ASP 63 CO -0.14 -2.57 0.65 0.00 0.21 0.00 0.00 175.17 173.32 2cr6 n ALA 64 N -3.54 1.59 -0.79 5.23 0.00 -1.26 -3.34 120.51 118.39 2cr6 n ALA 64 Ca 0.16 -2.99 -0.33 0.00 0.00 0.00 0.00 53.44 50.28 2cr6 n ALA 64 Cb 0.60 -0.93 0.12 0.00 0.00 0.00 0.00 19.45 19.23 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 1.15 -0.36 -2.22 0.00 6.02 0.77 -4.83 117.38 117.90 2cr6 n GLN 65 Ca 0.19 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.70 2cr6 n GLN 65 Cb 0.58 -1.83 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 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 -3.59 4.38 0.00 -1.09 0.04 -1.26 -2.81 135.00 130.68 2cr6 s PRO 66 Ca 0.56 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2cr6 s PRO 66 Cb -0.20 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2cr6 s PRO 66 CO 0.68 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.85 2cr6 n GLY 67 N 2.55 1.62 2.76 0.56 0.00 -1.26 -4.34 105.19 107.08 2cr6 n GLY 67 Ca 0.07 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.80 -0.40 3.34 -0.02 0.00 -1.16 -4.73 105.19 101.44 2cr6 n GLY 68 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.07 3.31 -0.35 1.61 1.51 -1.12 -2.12 117.35 117.12 2cr6 s TYR 69 Ca 0.21 -1.40 -0.22 0.00 -1.01 0.00 0.00 57.07 54.65 2cr6 s TYR 69 Cb -0.09 -3.89 0.00 0.00 -0.11 0.00 0.00 41.96 37.87 2cr6 s TYR 69 CO 0.26 -1.12 0.72 -1.01 -1.11 0.00 0.00 175.55 173.30 2cr6 s HIS 70 N 1.57 3.15 -0.20 2.71 3.76 -0.98 -0.16 115.29 125.15 2cr6 s HIS 70 Ca 0.11 0.53 -0.06 0.00 -0.15 0.00 0.00 55.06 55.49 2cr6 s HIS 70 Cb -0.22 -3.24 -0.03 0.00 1.11 0.00 0.00 32.58 30.20 2cr6 s HIS 70 CO -0.00 -0.64 0.03 0.08 -0.85 0.00 0.00 174.74 173.35 2cr6 s VAL 71 N 2.90 4.27 -0.25 -0.90 1.01 -1.21 -2.65 120.40 123.57 2cr6 s VAL 71 Ca 0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 2cr6 s VAL 71 Cb -0.14 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.32 2cr6 s VAL 71 CO 0.15 0.43 -0.02 -0.22 0.00 0.00 0.00 175.10 175.44 2cr6 s LEU 72 N 0.84 3.29 -0.78 3.92 2.96 -1.10 -0.58 118.68 127.22 2cr6 s LEU 72 Ca 0.02 -0.70 -0.05 0.00 -0.22 0.00 0.00 54.13 53.18 2cr6 s LEU 72 Cb -0.14 -1.74 0.20 0.00 0.50 0.00 0.00 46.19 45.01 2cr6 s LEU 72 CO 0.02 -0.12 0.65 -0.89 -1.32 0.00 0.00 176.35 174.70 2cr6 s THR 73 N 1.41 4.44 -0.81 3.68 2.01 0.86 -1.48 115.64 125.76 2cr6 s THR 73 Ca 0.02 -3.17 -0.25 0.00 0.31 0.00 0.00 61.69 58.60 2cr6 s THR 73 Cb -0.16 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2cr6 s THR 73 CO -0.02 -0.99 1.65 -0.76 -0.69 0.00 0.00 174.62 173.80 2cr6 s LEU 74 N -0.49 3.27 0.38 4.42 1.43 -0.88 -2.38 118.68 124.44 2cr6 s LEU 74 Ca 0.21 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 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 -2.14 0.82 -0.13 0.23 0.00 0.00 176.35 175.06 2cr6 s ARG 75 N 6.25 4.02 -0.98 1.70 0.52 -0.70 -2.68 118.95 127.07 2cr6 s ARG 75 Ca 0.55 0.78 -0.07 0.00 -0.52 0.00 0.00 55.73 56.47 2cr6 s ARG 75 Cb -0.07 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 2cr6 s ARG 75 CO 0.07 0.03 0.82 1.04 0.02 0.00 0.00 175.30 177.28 2cr6 n GLN 76 N -0.72 -1.75 -2.04 3.54 6.02 -0.85 -4.63 117.38 116.95 2cr6 n GLN 76 Ca 0.05 0.94 -0.25 0.00 -0.01 0.00 0.00 57.00 57.72 2cr6 n GLN 76 Cb 0.54 -5.26 0.16 0.00 1.02 0.00 0.00 30.24 26.69 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 -3.03 0.00 -3.93 1.08 4.77 -1.22 -4.52 117.00 110.15 2cr6 n LEU 77 Ca -0.07 -1.61 -0.09 0.00 -0.03 0.00 0.00 56.01 54.21 2cr6 n LEU 77 Cb 0.59 -0.80 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 2cr6 n LEU 77 CO 0.59 -1.20 -0.21 0.00 -1.33 0.00 0.00 177.39 175.25 2cr6 s ALA 78 N -3.63 -0.05 0.59 -1.18 0.00 -1.26 -0.11 121.76 116.12 2cr6 s ALA 78 Ca 0.66 -0.60 0.41 0.00 0.00 0.00 0.00 51.96 52.44 2cr6 s ALA 78 Cb -0.03 0.28 2.25 0.00 0.00 0.00 0.00 23.12 25.63 2cr6 s ALA 78 CO 0.46 -0.34 2.27 -0.07 0.00 0.00 0.00 175.76 178.07 2cr6 h LEU 79 N 3.51 0.00 -0.96 0.00 3.38 -1.88 0.24 115.31 119.60 2cr6 h LEU 79 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2cr6 h LEU 79 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2cr6 h LEU 79 CO 0.52 0.00 0.00 2.29 0.09 0.00 0.00 178.44 181.34 2cr6 n LYS 80 N -2.98 1.61 0.01 1.13 2.85 -1.26 -3.51 118.16 116.01 2cr6 n LYS 80 Ca -0.03 -0.94 0.11 0.00 -1.05 0.00 0.00 58.31 56.40 2cr6 n LYS 80 Cb 0.09 -1.29 -0.13 0.00 -0.65 0.00 0.00 35.03 33.05 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 0.21 0.19 -4.47 -5.58 2.03 0.83 -4.92 116.55 104.85 2cr6 n ASP 81 Ca 0.12 0.06 -0.48 0.00 0.52 0.00 0.00 54.79 55.01 2cr6 n ASP 81 Cb 0.25 1.66 -0.07 0.00 -0.72 0.00 0.00 41.12 42.25 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 -2.34 2.10 0.00 1.67 3.41 -1.23 -4.67 113.62 112.56 2cr6 n SER 82 Ca -0.03 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2cr6 n SER 82 Cb 0.56 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 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 6.45 2.22 3.07 5.00 0.00 -0.05 -4.98 105.19 116.89 2cr6 n GLY 83 Ca 0.42 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.61 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 2.06 -0.77 -0.11 2.61 2.01 -1.26 -2.05 115.64 118.13 2cr6 s THR 84 Ca 0.00 -0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 2cr6 s THR 84 Cb 0.00 -0.87 -0.06 0.00 0.01 0.00 0.00 72.50 71.57 2cr6 s THR 84 CO 0.00 -0.06 2.05 -0.63 -0.69 0.00 0.00 174.62 175.30 2cr6 s ILE 85 N 2.68 3.08 -0.87 1.82 -1.09 -0.82 -2.28 121.20 123.71 2cr6 s ILE 85 Ca 0.13 0.09 -0.09 0.00 -2.23 0.00 0.00 60.65 58.55 2cr6 s ILE 85 Cb -0.15 -3.08 0.22 0.00 -1.58 0.00 0.00 42.46 37.88 2cr6 s ILE 85 CO -0.18 -0.03 0.80 -0.31 -1.23 0.00 0.00 174.94 173.99 2cr6 s TYR 86 N 6.34 3.84 0.57 3.97 2.02 0.89 -2.60 117.35 132.38 2cr6 s TYR 86 Ca 0.93 -2.42 -0.19 0.00 -0.37 0.00 0.00 57.07 55.02 2cr6 s TYR 86 Cb -0.36 -3.65 -0.04 0.00 -0.40 0.00 0.00 41.96 37.50 2cr6 s TYR 86 CO 0.37 -0.92 1.17 0.12 -1.57 0.00 0.00 175.55 174.72 2cr6 s PHE 87 N -0.42 2.51 -0.03 2.71 5.36 -1.17 -2.68 117.98 124.27 2cr6 s PHE 87 Ca 0.22 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.73 2cr6 s PHE 87 Cb -0.11 -3.39 0.01 0.00 -0.34 0.00 0.00 43.02 39.18 2cr6 s PHE 87 CO -0.08 -1.94 -0.05 -1.21 -1.46 0.00 0.00 175.22 170.48 2cr6 s GLU 88 N -3.33 0.70 -0.32 10.12 2.02 -1.00 -2.32 118.70 124.57 2cr6 s GLU 88 Ca 0.75 -0.15 0.01 0.00 0.02 0.00 0.00 54.97 55.60 2cr6 s GLU 88 Cb -0.27 -0.70 0.19 0.00 0.10 0.00 0.00 34.13 33.45 2cr6 s GLU 88 CO 0.31 0.01 0.74 0.00 0.02 0.00 0.00 175.26 176.34 2cr6 s ALA 89 N 0.48 -2.96 0.00 5.21 0.00 -1.24 -2.96 121.76 120.29 2cr6 s ALA 89 Ca -0.06 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2cr6 s ALA 89 Cb -0.10 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2cr6 s ALA 89 CO 0.00 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.14 2cr6 n GLY 90 N 5.00 1.82 0.30 0.00 0.00 -1.26 -3.01 105.19 108.05 2cr6 n GLY 90 Ca 0.07 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 9.77 2.58 -4.90 1.61 9.92 -1.26 -5.03 116.55 129.24 2cr6 n ASP 91 Ca 0.00 -2.40 -0.26 0.00 -0.53 0.00 0.00 54.79 51.60 2cr6 n ASP 91 Cb 0.00 -0.23 -0.01 0.00 -0.64 0.00 0.00 41.12 40.24 2cr6 n ASP 91 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2cr6 s GLN 92 N -1.70 2.26 -0.30 -1.24 -1.52 -1.16 -5.05 119.66 110.95 2cr6 s GLN 92 Ca 0.19 -2.00 -0.15 0.00 -1.95 0.00 0.00 55.36 51.45 2cr6 s GLN 92 Cb 0.14 -2.11 0.16 0.00 -0.22 0.00 0.00 33.01 30.98 2cr6 s GLN 92 CO 0.06 -0.62 0.97 0.50 -0.25 0.00 0.00 175.29 175.95 2cr6 s ARG 93 N -4.29 0.31 0.67 2.91 3.52 -1.26 -3.68 118.95 117.14 2cr6 s ARG 93 Ca 0.35 0.78 -0.04 0.00 -0.13 0.00 0.00 55.73 56.69 2cr6 s ARG 93 Cb -0.02 0.45 0.07 0.00 -1.56 0.00 0.00 34.95 33.89 2cr6 s ARG 93 CO 0.22 -0.11 0.95 0.00 -0.81 0.00 0.00 175.30 175.55 2cr6 s ALA 94 N 2.43 3.43 -0.29 6.12 0.00 -0.98 -4.91 121.76 127.55 2cr6 s ALA 94 Ca -0.03 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 2cr6 s ALA 94 Cb -0.06 -2.35 0.18 0.00 0.00 0.00 0.00 23.12 20.89 2cr6 s ALA 94 CO -0.17 -1.21 0.57 -1.54 0.00 0.00 0.00 175.76 173.41 2cr6 s SER 95 N -4.54 -1.19 0.03 0.00 1.04 -1.24 -3.04 113.70 104.75 2cr6 s SER 95 Ca 0.61 0.80 0.09 0.00 0.48 0.00 0.00 55.95 57.93 2cr6 s SER 95 Cb -0.09 2.04 -0.03 0.00 0.10 0.00 0.00 66.02 68.04 2cr6 s SER 95 CO 0.43 -0.26 -0.26 0.00 0.98 0.00 0.00 173.24 174.12 2cr6 s ALA 96 N 2.82 2.22 -0.67 5.32 0.00 -1.07 -4.82 121.76 125.56 2cr6 s ALA 96 Ca 0.20 -1.23 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 2cr6 s ALA 96 Cb -0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 2cr6 s ALA 96 CO -0.20 0.53 1.73 0.00 0.00 0.00 0.00 175.76 177.82 2cr6 s ALA 97 N -0.76 2.27 -0.83 0.00 0.00 -1.26 -1.93 121.76 119.25 2cr6 s ALA 97 Ca 0.11 -0.89 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 2cr6 s ALA 97 Cb -0.10 -4.32 0.09 0.00 0.00 0.00 0.00 23.12 18.79 2cr6 s ALA 97 CO 0.01 -3.82 1.13 -1.17 0.00 0.00 0.00 175.76 171.91 2cr6 s LEU 98 N 8.35 4.42 -0.05 0.00 2.96 -0.87 -1.99 118.68 131.50 2cr6 s LEU 98 Ca 0.60 -1.45 -0.10 0.00 -0.22 0.00 0.00 54.13 52.96 2cr6 s LEU 98 Cb -0.11 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 2cr6 s LEU 98 CO 0.18 -1.33 0.27 -0.13 -1.32 0.00 0.00 176.35 174.02 2cr6 s ARG 99 N 3.79 3.66 -0.24 1.98 0.52 0.80 -0.87 118.95 128.59 2cr6 s ARG 99 Ca 0.31 0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 55.60 2cr6 s ARG 99 Cb -0.09 -3.18 0.11 0.00 0.52 0.00 0.00 34.95 32.32 2cr6 s ARG 99 CO -0.01 0.72 0.25 0.08 0.02 0.00 0.00 175.30 176.37 2cr6 s VAL 100 N -1.11 -0.36 0.75 3.52 1.01 -1.26 -2.98 120.40 119.97 2cr6 s VAL 100 Ca 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 2cr6 s VAL 100 Cb -0.14 -0.80 0.12 0.00 0.00 0.00 0.00 36.38 35.56 2cr6 s VAL 100 CO 0.10 -0.31 1.04 0.42 0.00 0.00 0.00 175.10 176.35 2cr6 s THR 101 N 2.35 2.19 1.16 3.92 -4.23 -1.01 -4.70 115.64 115.31 2cr6 s THR 101 Ca 0.08 -0.44 -0.14 0.00 -1.18 0.00 0.00 61.69 60.02 2cr6 s THR 101 Cb -0.15 -2.75 0.25 0.00 1.34 0.00 0.00 72.50 71.19 2cr6 s THR 101 CO -0.20 0.00 0.79 -0.62 -0.54 0.00 0.00 174.62 174.04 2cr6 n GLU 102 N -2.98 -2.27 -4.32 3.99 1.02 -1.26 -0.05 120.64 114.78 2cr6 n GLU 102 Ca 0.13 -0.63 -0.19 0.00 -0.02 0.00 0.00 57.16 56.45 2cr6 n GLU 102 Cb 0.60 -2.06 -0.11 0.00 -0.02 0.00 0.00 31.44 29.85 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 -4.18 1.24 0.50 3.49 0.00 -1.26 -3.96 119.74 115.57 2cr6 s LYS 103 Ca 0.66 -1.46 0.29 0.00 0.00 0.00 0.00 55.97 55.45 2cr6 s LYS 103 Cb -0.22 -1.12 1.20 0.00 0.00 0.00 0.00 37.83 37.69 2cr6 s LYS 103 CO 0.65 0.20 1.93 -1.00 0.00 0.00 0.00 175.35 177.14 2cr6 h PRO 104 N 2.96 0.00 0.00 1.78 0.13 -1.96 -3.44 132.00 131.46 2cr6 h PRO 104 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2cr6 h PRO 104 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cr6 h PRO 104 CO 0.57 0.12 0.00 0.43 -0.23 0.00 0.00 178.00 178.89 2cr6 n SER 105 N -3.31 -0.01 -0.09 1.44 7.64 -1.26 -5.03 113.62 113.00 2cr6 n SER 105 Ca -0.00 -0.01 -0.11 0.00 1.01 0.00 0.00 58.87 59.76 2cr6 n SER 105 Cb 0.35 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.45 2cr6 n SER 105 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2cr6 n VAL 106 N -0.35 1.08 -3.99 0.44 3.14 -1.26 -5.10 118.33 112.28 2cr6 n VAL 106 Ca 0.00 -0.49 0.03 0.00 -2.96 0.00 0.00 64.34 60.92 2cr6 n VAL 106 Cb 0.00 -0.99 0.01 0.00 -1.06 0.00 0.00 33.84 31.80 2cr6 n VAL 106 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 2cr6 s PHE 107 N -2.38 0.01 -0.25 1.45 5.36 -1.26 -5.09 117.98 115.83 2cr6 s PHE 107 Ca -0.20 -0.09 -0.28 0.00 -0.96 0.00 0.00 56.93 55.40 2cr6 s PHE 107 Cb 0.06 0.54 0.16 0.00 -0.34 0.00 0.00 43.02 43.44 2cr6 s PHE 107 CO 0.50 -0.17 1.22 -1.54 -1.46 0.00 0.00 175.22 173.77 2cr6 s SER 108 N -3.83 -0.20 -1.08 6.13 1.04 -1.26 -5.00 113.70 109.50 2cr6 s SER 108 Ca 0.30 0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.98 2cr6 s SER 108 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2cr6 s SER 108 CO -0.02 -0.15 0.91 -1.14 0.98 0.00 0.00 173.24 173.83 2cr6 n ARG 109 N 0.95 -6.06 -2.61 4.02 0.63 -1.26 -4.79 116.66 107.54 2cr6 n ARG 109 Ca -0.06 0.75 -0.33 0.00 -0.92 0.00 0.00 57.85 57.29 2cr6 n ARG 109 Cb 0.58 -5.48 -0.05 0.00 0.45 0.00 0.00 32.46 27.96 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 -4.04 6.74 0.58 6.15 0.15 -1.26 -5.04 113.70 116.97 2cr6 s SER 110 Ca 0.09 1.66 0.09 0.00 0.70 0.00 0.00 55.95 58.49 2cr6 s SER 110 Cb -0.04 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 61.83 2cr6 s SER 110 CO 0.64 -0.50 0.74 0.61 1.20 0.00 0.00 173.24 175.93 2cr6 n GLY 111 N -1.01 2.10 3.69 9.45 0.00 -1.26 -5.06 105.19 113.09 2cr6 n GLY 111 Ca 0.07 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -4.57 4.27 -0.02 1.61 0.04 -1.26 -4.96 135.00 130.11 2cr6 s PRO 112 Ca 0.56 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.62 2cr6 s PRO 112 Cb -0.04 -3.59 -0.00 0.00 0.04 0.00 0.00 34.50 30.90 2cr6 s PRO 112 CO 0.35 -0.61 -0.01 1.03 0.04 0.00 0.00 177.00 177.80 2cr6 h SER 113 N 7.96 0.00 -3.19 6.66 0.87 -2.07 -3.48 113.55 120.30 2cr6 h SER 113 Ca -0.38 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 59.72 2cr6 h SER 113 Cb 1.18 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 63.27 2cr6 h SER 113 CO 0.91 0.09 0.29 -0.44 -0.53 0.00 0.00 176.83 177.15 2cr6 s SER 114 N -3.61 3.64 0.00 6.23 0.01 -1.26 -5.36 113.70 113.35 2cr6 s SER 114 Ca -0.01 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2cr6 s SER 114 Cb 0.00 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2cr6 s SER 114 CO 0.02 -2.36 0.00 0.61 0.41 0.00 0.00 173.24 171.91