#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 5.82 -1.19 1.61 0.15 -1.26 -3.06 113.70 115.77 2cr6 s SER 2 Ca 0.00 1.31 -0.04 0.00 0.70 0.00 0.00 55.95 57.92 2cr6 s SER 2 Cb 0.00 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2cr6 s SER 2 CO 0.00 -1.77 0.86 -1.20 1.20 0.00 0.00 173.24 172.33 2cr6 n SER 3 N 10.55 -3.30 0.00 5.45 7.64 -1.26 -4.82 113.62 127.89 2cr6 n SER 3 Ca 0.23 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.37 2cr6 n SER 3 Cb 0.47 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 2cr6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr6 n GLY 4 N -1.35 0.69 3.91 0.23 0.00 -1.17 -5.13 105.19 102.37 2cr6 n GLY 4 Ca -0.22 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 2cr6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr6 s SER 5 N -4.00 4.64 -0.14 1.61 1.04 -1.26 -4.48 113.70 111.11 2cr6 s SER 5 Ca 0.00 -1.25 -0.29 0.00 0.48 0.00 0.00 55.95 54.88 2cr6 s SER 5 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2cr6 s SER 5 CO 0.00 -1.15 1.68 -0.94 0.98 0.00 0.00 173.24 173.81 2cr6 s SER 6 N -4.31 6.46 0.02 7.02 1.04 -1.26 -4.79 113.70 117.88 2cr6 s SER 6 Ca 0.34 1.95 -0.27 0.00 0.48 0.00 0.00 55.95 58.45 2cr6 s SER 6 Cb -0.02 -2.53 0.10 0.00 0.10 0.00 0.00 66.02 63.66 2cr6 s SER 6 CO 0.22 -1.14 1.24 -0.83 0.98 0.00 0.00 173.24 173.70 2cr6 s GLY 7 N 4.06 -0.12 1.02 7.32 0.00 -1.26 -5.15 107.32 113.19 2cr6 s GLY 7 Ca 0.74 0.06 -0.15 0.00 0.00 0.00 0.00 44.72 45.37 2cr6 s GLY 7 CO 0.30 4.19 1.17 1.08 0.00 0.00 0.00 173.10 179.83 2cr6 s LEU 8 N -3.61 1.72 0.01 0.66 2.01 -1.26 -5.09 118.68 113.12 2cr6 s LEU 8 Ca 0.26 0.71 0.02 0.00 0.01 0.00 0.00 54.13 55.13 2cr6 s LEU 8 Cb -0.00 -2.77 -0.01 0.00 0.01 0.00 0.00 46.19 43.42 2cr6 s LEU 8 CO 0.00 -3.15 -0.08 -0.69 1.01 0.00 0.00 176.35 173.45 2cr6 s VAL 9 N -3.31 0.58 0.44 -1.59 1.01 -1.26 -5.15 120.40 111.12 2cr6 s VAL 9 Ca 0.69 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.16 2cr6 s VAL 9 Cb -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.75 2cr6 s VAL 9 CO 0.54 -0.01 0.61 0.00 0.00 0.00 0.00 175.10 176.24 2cr6 s GLN 10 N -0.63 2.82 0.00 2.72 -2.07 -1.26 -5.05 119.66 116.19 2cr6 s GLN 10 Ca -0.01 -1.05 0.00 0.00 -1.82 0.00 0.00 55.36 52.48 2cr6 s GLN 10 Cb -0.05 -2.69 0.00 0.00 -1.09 0.00 0.00 33.01 29.18 2cr6 s GLN 10 CO 0.00 -0.33 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 2cr6 n GLY 11 N -1.95 -0.30 3.59 2.60 0.00 -1.26 -5.16 105.19 102.72 2cr6 n GLY 11 Ca 0.06 0.58 -0.28 0.00 0.00 0.00 0.00 46.02 46.38 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 2.29 -0.29 -0.21 1.61 3.52 -1.26 -5.03 118.95 119.59 2cr6 s ARG 12 Ca 0.00 0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 56.13 2cr6 s ARG 12 Cb 0.00 -1.65 -0.01 0.00 -1.56 0.00 0.00 34.95 31.73 2cr6 s ARG 12 CO 0.00 -3.23 -0.03 0.50 -0.81 0.00 0.00 175.30 171.73 2cr6 s ARG 13 N -4.79 3.45 -0.09 5.12 6.06 -1.26 -4.81 118.95 122.62 2cr6 s ARG 13 Ca 0.67 -0.59 -0.08 0.00 -2.50 0.00 0.00 55.73 53.22 2cr6 s ARG 13 Cb -0.21 -3.02 -0.04 0.00 0.06 0.00 0.00 34.95 31.74 2cr6 s ARG 13 CO 0.60 -0.12 0.19 0.08 -2.50 0.00 0.00 175.30 173.55 2cr6 s VAL 14 N 1.30 5.42 -0.17 7.11 1.01 -1.26 -4.42 120.40 129.39 2cr6 s VAL 14 Ca 0.04 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 2cr6 s VAL 14 Cb -0.14 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.83 2cr6 s VAL 14 CO -0.01 0.60 -0.00 -1.00 0.00 0.00 0.00 175.10 174.68 2cr6 s HIS 15 N -1.06 1.29 -0.56 5.22 3.76 -1.05 -4.67 115.29 118.23 2cr6 s HIS 15 Ca 0.17 -0.91 -0.26 0.00 -0.15 0.00 0.00 55.06 53.91 2cr6 s HIS 15 Cb -0.13 -1.13 -0.08 0.00 1.11 0.00 0.00 32.58 32.35 2cr6 s HIS 15 CO 0.06 -0.59 2.39 0.42 -0.85 0.00 0.00 174.74 176.18 2cr6 s ILE 16 N 1.77 3.02 -0.02 0.60 -1.09 -1.26 -2.08 121.20 122.13 2cr6 s ILE 16 Ca -0.00 0.00 -0.13 0.00 -2.23 0.00 0.00 60.65 58.29 2cr6 s ILE 16 Cb -0.16 -3.05 -0.07 0.00 -1.58 0.00 0.00 42.46 37.59 2cr6 s ILE 16 CO -0.07 -0.05 0.65 0.40 -1.23 0.00 0.00 174.94 174.64 2cr6 h ILE 17 N 7.67 0.00 -2.89 2.92 2.04 -1.21 -3.41 117.51 122.63 2cr6 h ILE 17 Ca -0.19 -0.42 -0.61 0.00 1.00 0.00 0.00 64.86 64.64 2cr6 h ILE 17 Cb 1.20 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.88 2cr6 h ILE 17 CO 1.13 0.00 -0.70 -1.61 0.00 0.00 0.00 178.15 176.97 2cr6 s GLU 18 N -3.18 1.94 0.92 2.37 2.02 0.61 -4.95 118.70 118.43 2cr6 s GLU 18 Ca -0.07 -2.89 -0.13 0.00 0.02 0.00 0.00 54.97 51.90 2cr6 s GLU 18 Cb 0.01 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.47 2cr6 s GLU 18 CO 0.21 -1.30 0.46 -3.47 0.02 0.00 0.00 175.26 171.18 2cr6 n ASP 19 N 2.36 -1.85 -3.74 -0.19 -0.08 -1.26 -1.14 116.55 110.64 2cr6 n ASP 19 Ca 0.21 0.36 -0.27 0.00 -1.51 0.00 0.00 54.79 53.59 2cr6 n ASP 19 Cb 0.38 -1.22 0.23 0.00 2.34 0.00 0.00 41.12 42.85 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 -1.35 -1.26 0.00 -2.67 4.77 -1.26 -4.81 117.00 110.43 2cr6 n LEU 20 Ca 0.07 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 2cr6 n LEU 20 Cb 0.53 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2cr6 n LEU 20 CO 0.50 -3.73 0.00 -1.84 -1.33 0.00 0.00 177.39 170.99 2cr6 n GLU 21 N -3.82 0.00 0.00 3.23 0.28 -1.26 -4.89 120.64 114.18 2cr6 n GLU 21 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2cr6 n GLU 21 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 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 -1.63 0.00 -3.75 -1.84 5.75 -1.26 -4.01 116.55 109.80 2cr6 n ASP 22 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 2cr6 n ASP 22 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 2cr6 n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2cr6 s VAL 23 N -2.00 0.02 -0.27 2.12 1.01 -0.83 -4.97 120.40 115.49 2cr6 s VAL 23 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 2cr6 s VAL 23 Cb 0.00 -0.55 0.15 0.00 0.00 0.00 0.00 36.38 35.99 2cr6 s VAL 23 CO 0.00 -0.10 0.42 1.51 0.00 0.00 0.00 175.10 176.93 2cr6 s ASP 24 N -0.40 0.11 0.12 3.32 -4.77 -1.25 -0.45 116.67 113.35 2cr6 s ASP 24 Ca -0.05 0.01 -0.10 0.00 -3.30 0.00 0.00 52.55 49.12 2cr6 s ASP 24 Cb -0.03 1.23 0.00 0.00 -1.09 0.00 0.00 42.92 43.03 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 2.58 0.11 0.31 2.11 -7.23 -1.16 -5.00 120.40 112.11 2cr6 s VAL 25 Ca 0.12 -1.17 -0.29 0.00 -1.81 0.00 0.00 61.98 58.83 2cr6 s VAL 25 Cb -0.14 -1.48 -0.11 0.00 0.56 0.00 0.00 36.38 35.21 2cr6 s VAL 25 CO -0.23 -0.50 1.50 0.00 -0.31 0.00 0.00 175.10 175.57 2cr6 s GLN 26 N -3.89 4.18 0.57 4.82 -2.07 -1.26 -2.61 119.66 119.40 2cr6 s GLN 26 Ca 0.09 2.47 -0.19 0.00 -1.82 0.00 0.00 55.36 55.91 2cr6 s GLN 26 Cb 0.04 -3.04 -0.07 0.00 -1.09 0.00 0.00 33.01 28.85 2cr6 s GLN 26 CO -0.08 -0.51 0.77 -0.85 -1.32 0.00 0.00 175.29 173.30 2cr6 n GLU 27 N 1.68 0.75 0.00 9.60 -0.00 0.95 -2.33 120.64 131.29 2cr6 n GLU 27 Ca 0.05 0.29 0.00 0.00 -0.00 0.00 0.00 57.16 57.50 2cr6 n GLU 27 Cb 0.39 -1.95 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 1.50 3.31 1.56 -1.84 0.00 0.72 -4.60 105.19 105.85 2cr6 n GLY 28 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 2cr6 n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr6 n SER 29 N 0.00 0.10 -4.25 1.61 7.64 -0.98 -2.17 113.62 115.57 2cr6 n SER 29 Ca 0.00 -1.22 -0.39 0.00 1.01 0.00 0.00 58.87 58.27 2cr6 n SER 29 Cb 0.00 -0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 62.70 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 -2.93 5.47 -0.25 6.43 1.04 -1.26 -2.93 113.70 119.27 2cr6 s SER 30 Ca 0.30 -1.47 -0.21 0.00 0.48 0.00 0.00 55.95 55.05 2cr6 s SER 30 Cb -0.01 -1.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.17 2cr6 s SER 30 CO 0.21 -0.47 0.65 0.00 0.98 0.00 0.00 173.24 174.60 2cr6 s ALA 31 N 1.37 3.61 0.01 5.32 0.00 -1.17 -4.85 121.76 126.06 2cr6 s ALA 31 Ca 0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 2cr6 s ALA 31 Cb -0.22 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 2cr6 s ALA 31 CO 0.01 -0.80 0.59 0.99 0.00 0.00 0.00 175.76 176.55 2cr6 s THR 32 N 2.50 4.88 -0.36 0.00 2.01 -1.25 -2.50 115.64 120.92 2cr6 s THR 32 Ca 0.27 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.51 2cr6 s THR 32 Cb -0.15 -3.92 0.12 0.00 0.01 0.00 0.00 72.50 68.55 2cr6 s THR 32 CO 0.08 0.44 0.15 -0.36 -0.69 0.00 0.00 174.62 174.25 2cr6 s PHE 33 N -0.35 1.70 0.23 4.92 0.08 -0.10 -4.91 117.98 119.55 2cr6 s PHE 33 Ca 0.31 -1.94 -0.11 0.00 0.12 0.00 0.00 56.93 55.30 2cr6 s PHE 33 Cb -0.18 -1.69 -0.07 0.00 -0.57 0.00 0.00 43.02 40.50 2cr6 s PHE 33 CO 0.17 -0.84 0.58 1.03 -0.10 0.00 0.00 175.22 176.06 2cr6 s ARG 34 N 1.16 3.85 -0.29 0.44 0.52 -1.26 -2.22 118.95 121.15 2cr6 s ARG 34 Ca 0.13 0.36 -0.14 0.00 -0.52 0.00 0.00 55.73 55.56 2cr6 s ARG 34 Cb -0.20 -2.65 0.13 0.00 0.52 0.00 0.00 34.95 32.75 2cr6 s ARG 34 CO -0.14 0.31 0.83 0.00 0.02 0.00 0.00 175.30 176.32 2cr6 s ARG 36 N 2.09 3.78 -0.04 0.00 3.52 -0.29 -2.49 118.95 125.51 2cr6 s ARG 36 Ca -0.07 0.00 0.02 0.00 -0.13 0.00 0.00 55.73 55.56 2cr6 s ARG 36 Cb -0.07 -3.75 0.01 0.00 -1.56 0.00 0.00 34.95 29.58 2cr6 s ARG 36 CO -0.18 -0.54 -0.08 0.96 -0.81 0.00 0.00 175.30 174.65 2cr6 s ILE 37 N 2.36 0.80 0.27 4.11 -5.25 -1.08 -0.29 121.20 122.12 2cr6 s ILE 37 Ca 0.19 -0.31 -0.08 0.00 -0.99 0.00 0.00 60.65 59.47 2cr6 s ILE 37 Cb -0.15 -0.75 -0.06 0.00 2.95 0.00 0.00 42.46 44.44 2cr6 s ILE 37 CO 0.12 0.27 0.57 -0.55 -1.79 0.00 0.00 174.94 173.56 2cr6 s SER 38 N 0.61 6.54 1.06 4.36 0.15 -0.88 -4.20 113.70 121.33 2cr6 s SER 38 Ca -0.10 0.86 -0.14 0.00 0.70 0.00 0.00 55.95 57.26 2cr6 s SER 38 Cb -0.13 -2.20 0.22 0.00 -1.71 0.00 0.00 66.02 62.20 2cr6 s SER 38 CO 0.01 -0.16 1.10 -2.16 1.20 0.00 0.00 173.24 173.23 2cr6 s PRO 39 N -3.23 -0.08 0.00 5.44 0.04 -1.26 -2.52 135.00 133.38 2cr6 s PRO 39 Ca 0.46 0.35 0.24 0.00 0.04 0.00 0.00 61.00 62.09 2cr6 s PRO 39 Cb -0.11 -1.69 1.27 0.00 0.04 0.00 0.00 34.50 34.00 2cr6 s PRO 39 CO 0.26 -3.04 1.80 0.00 0.04 0.00 0.00 177.00 176.06 2cr6 n ALA 40 N -4.36 2.26 -1.87 8.56 0.00 -1.26 -2.95 120.51 120.89 2cr6 n ALA 40 Ca 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 2cr6 n ALA 40 Cb 0.58 -1.39 0.12 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.22 2.89 -4.74 0.00 3.02 -1.26 -3.50 115.26 110.46 2cr6 n ASN 41 Ca 0.13 -3.65 -0.39 0.00 -0.03 0.00 0.00 54.58 50.65 2cr6 n ASN 41 Cb 0.16 -0.44 -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 -3.21 3.60 0.00 3.10 6.14 -1.15 -5.03 117.35 120.80 2cr6 s TYR 42 Ca 0.42 1.12 0.00 0.00 0.64 0.00 0.00 57.07 59.25 2cr6 s TYR 42 Cb 0.38 -2.65 0.00 0.00 0.42 0.00 0.00 41.96 40.12 2cr6 s TYR 42 CO -0.03 0.22 0.00 -0.85 0.64 0.00 0.00 175.55 175.53 2cr6 n GLU 43 N 3.31 0.00 -1.09 4.97 0.28 -1.26 -4.72 120.64 122.12 2cr6 n GLU 43 Ca -0.05 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 33.61 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 -0.97 0.09 3.44 0.04 -1.26 -5.17 135.00 129.16 2cr6 s PRO 44 Ca 0.00 0.03 0.10 0.00 0.04 0.00 0.00 61.00 61.16 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 -0.24 0.14 0.04 0.00 0.00 177.00 173.37 2cr6 s VAL 45 N -3.00 2.39 -0.02 -0.36 -7.23 -1.26 -5.02 120.40 105.90 2cr6 s VAL 45 Ca 0.70 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.35 2cr6 s VAL 45 Cb -0.11 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2cr6 s VAL 45 CO 0.56 0.21 0.00 -1.00 -0.31 0.00 0.00 175.10 174.56 2cr6 s HIS 46 N -0.98 3.09 -0.04 2.82 3.76 -1.12 -5.04 115.29 117.79 2cr6 s HIS 46 Ca 0.14 0.11 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 2cr6 s HIS 46 Cb -0.10 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.91 2cr6 s HIS 46 CO 0.05 0.46 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.80 2cr6 s TRP 47 N -1.04 0.56 0.25 1.40 0.52 -1.26 -1.63 118.94 117.75 2cr6 s TRP 47 Ca 0.18 -0.12 0.06 0.00 0.02 0.00 0.00 56.10 56.24 2cr6 s TRP 47 Cb -0.11 -0.55 -0.05 0.00 -1.15 0.00 0.00 33.47 31.60 2cr6 s TRP 47 CO 0.08 -0.16 -0.05 -0.06 0.02 0.00 0.00 176.95 176.78 2cr6 s PHE 48 N 0.92 1.78 -0.24 -1.98 0.40 -1.02 -0.07 117.98 117.77 2cr6 s PHE 48 Ca -0.11 -0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 55.43 2cr6 s PHE 48 Cb -0.14 -1.00 0.09 0.00 0.51 0.00 0.00 43.02 42.49 2cr6 s PHE 48 CO -0.00 0.19 0.16 -1.17 0.70 0.00 0.00 175.22 175.10 2cr6 s LEU 49 N -3.38 0.23 0.00 -0.37 1.98 -0.07 -0.07 118.68 117.01 2cr6 s LEU 49 Ca 0.28 -0.82 0.00 0.00 -2.89 0.00 0.00 54.13 50.70 2cr6 s LEU 49 Cb 0.04 -0.04 0.00 0.00 0.66 0.00 0.00 46.19 46.85 2cr6 s LEU 49 CO 0.10 -0.39 0.00 0.47 -1.89 0.00 0.00 176.35 174.64 2cr6 n ASP 50 N 5.28 0.00 -2.74 3.68 9.92 -0.93 -2.20 116.55 129.56 2cr6 n ASP 50 Ca -0.05 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.19 2cr6 n ASP 50 Cb 0.46 0.00 0.09 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 1.50 -3.70 -1.24 5.02 -1.26 -5.00 118.16 113.48 2cr6 n LYS 51 Ca 0.00 -2.28 -0.11 0.00 -2.02 0.00 0.00 58.31 53.90 2cr6 n LYS 51 Cb 0.00 -0.51 -0.10 0.00 -0.02 0.00 0.00 35.03 34.40 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 -1.64 -0.02 0.72 -0.18 2.01 -0.94 -5.16 115.64 110.43 2cr6 s THR 52 Ca 0.18 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.11 2cr6 s THR 52 Cb 0.39 -0.65 0.03 0.00 0.01 0.00 0.00 72.50 72.28 2cr6 s THR 52 CO -0.08 0.03 1.10 -2.16 -0.69 0.00 0.00 174.62 172.81 2cr6 s PRO 53 N 1.12 2.52 -0.02 4.92 0.04 -1.26 -0.89 135.00 141.43 2cr6 s PRO 53 Ca -0.07 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.28 2cr6 s PRO 53 Cb -0.07 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2cr6 s PRO 53 CO -0.10 -1.46 -0.09 -0.51 0.04 0.00 0.00 177.00 174.88 2cr6 s LEU 54 N -5.40 1.84 -0.00 -3.56 1.43 0.90 -4.84 118.68 109.05 2cr6 s LEU 54 Ca 0.64 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2cr6 s LEU 54 Cb -0.19 -0.54 -0.00 0.00 0.03 0.00 0.00 46.19 45.49 2cr6 s LEU 54 CO 0.49 0.08 0.02 -1.00 0.23 0.00 0.00 176.35 176.17 2cr6 s HIS 55 N 0.10 0.05 0.27 0.29 3.76 -1.26 -4.19 115.29 114.31 2cr6 s HIS 55 Ca -0.02 -0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 54.50 2cr6 s HIS 55 Cb -0.07 -0.05 -0.14 0.00 1.11 0.00 0.00 32.58 33.43 2cr6 s HIS 55 CO 0.00 -0.08 1.20 0.00 -0.85 0.00 0.00 174.74 175.01 2cr6 n ALA 56 N 2.55 0.33 -3.00 -1.40 0.00 -1.26 -4.63 120.51 113.10 2cr6 n ALA 56 Ca -0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2cr6 n ALA 56 Cb 0.58 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 1.51 0.00 -0.12 0.00 5.15 -0.37 -4.89 115.26 116.53 2cr6 n ASN 57 Ca 0.10 -0.95 0.26 0.00 -0.60 0.00 0.00 54.58 53.39 2cr6 n ASN 57 Cb 0.31 0.00 0.72 0.00 -0.53 0.00 0.00 39.78 40.28 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 0.00 0.00 1.20 4.81 -2.02 -3.05 114.58 115.53 2cr6 h GLU 58 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 2cr6 h GLU 58 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2cr6 h GLU 58 CO 0.00 0.00 -2.02 1.28 -0.73 0.00 0.00 179.01 177.54 2cr6 n LEU 59 N -4.25 1.39 -4.75 1.64 4.77 -1.26 -4.99 117.00 109.54 2cr6 n LEU 59 Ca 0.16 0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 55.93 2cr6 n LEU 59 Cb 0.87 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2cr6 n LEU 59 CO 0.38 0.40 1.04 0.20 -1.33 0.00 0.00 177.39 178.08 2cr6 s ASN 60 N -6.59 6.72 -0.07 -1.43 -0.87 -1.15 -2.58 114.94 108.98 2cr6 s ASN 60 Ca -0.25 2.65 0.01 0.00 -1.57 0.00 0.00 52.86 53.69 2cr6 s ASN 60 Cb 0.10 -2.63 0.02 0.00 -0.02 0.00 0.00 41.25 38.72 2cr6 s ASN 60 CO 0.33 -0.62 -0.06 -0.70 -2.57 0.00 0.00 177.10 173.47 2cr6 s GLU 61 N -0.89 1.15 -0.28 -0.60 2.12 -0.98 -1.24 118.70 117.99 2cr6 s GLU 61 Ca 0.55 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.69 2cr6 s GLU 61 Cb -0.40 -1.15 0.09 0.00 0.26 0.00 0.00 34.13 32.93 2cr6 s GLU 61 CO 0.47 -0.13 0.07 0.42 -0.54 0.00 0.00 175.26 175.55 2cr6 s ILE 62 N 1.18 0.80 0.75 -3.70 1.01 -1.26 -0.19 121.20 119.79 2cr6 s ILE 62 Ca -0.06 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.42 2cr6 s ILE 62 Cb -0.14 -1.50 0.15 0.00 0.01 0.00 0.00 42.46 40.98 2cr6 s ILE 62 CO -0.02 -0.53 1.03 0.47 0.00 0.00 0.00 174.94 175.90 2cr6 n ASP 63 N 4.90 1.33 -3.09 3.58 9.92 -0.10 -4.96 116.55 128.13 2cr6 n ASP 63 Ca -0.05 -2.14 -0.19 0.00 -0.53 0.00 0.00 54.79 51.89 2cr6 n ASP 63 Cb 0.43 -0.68 -0.03 0.00 -0.64 0.00 0.00 41.12 40.21 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 -2.94 1.50 -0.79 2.24 0.00 -1.26 -3.37 120.51 115.88 2cr6 n ALA 64 Ca -0.17 -2.95 -0.33 0.00 0.00 0.00 0.00 53.44 49.99 2cr6 n ALA 64 Cb 0.60 -0.95 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 1.14 -0.36 -2.21 0.00 6.02 0.86 -4.82 117.38 118.01 2cr6 n GLN 65 Ca 0.19 -0.07 -0.35 0.00 -0.01 0.00 0.00 57.00 56.76 2cr6 n GLN 65 Cb 0.59 -1.82 0.01 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 -3.58 3.30 0.00 -1.09 0.04 -1.26 -2.56 135.00 129.86 2cr6 s PRO 66 Ca 0.56 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2cr6 s PRO 66 Cb -0.20 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2cr6 s PRO 66 CO 0.68 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 177.24 2cr6 n GLY 67 N 0.08 0.58 1.75 0.56 0.00 -1.26 -3.97 105.19 102.92 2cr6 n GLY 67 Ca 0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.75 0.50 3.19 -0.02 0.00 -1.23 -4.77 105.19 100.11 2cr6 n GLY 68 Ca 0.00 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 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 3.47 -0.30 1.61 1.51 -1.06 -2.65 117.35 116.86 2cr6 s TYR 69 Ca 0.07 -2.02 -0.20 0.00 -1.01 0.00 0.00 57.07 53.91 2cr6 s TYR 69 Cb -0.03 -3.33 -0.01 0.00 -0.11 0.00 0.00 41.96 38.48 2cr6 s TYR 69 CO 0.15 -0.97 0.61 -1.01 -1.11 0.00 0.00 175.55 173.22 2cr6 s HIS 70 N 1.29 3.22 -0.11 2.71 3.76 -1.04 -0.10 115.29 125.03 2cr6 s HIS 70 Ca 0.06 0.59 -0.02 0.00 -0.15 0.00 0.00 55.06 55.54 2cr6 s HIS 70 Cb -0.25 -2.94 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 2cr6 s HIS 70 CO -0.02 -0.44 -0.04 0.08 -0.85 0.00 0.00 174.74 173.48 2cr6 s VAL 71 N 2.55 3.96 -0.20 -0.90 1.01 -1.22 -2.49 120.40 123.12 2cr6 s VAL 71 Ca 0.24 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2cr6 s VAL 71 Cb -0.15 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.59 2cr6 s VAL 71 CO 0.11 0.56 -0.13 -0.22 0.00 0.00 0.00 175.10 175.42 2cr6 s LEU 72 N -0.36 2.36 -0.63 3.92 2.96 -0.94 -0.92 118.68 125.07 2cr6 s LEU 72 Ca 0.06 -0.87 -0.04 0.00 -0.22 0.00 0.00 54.13 53.06 2cr6 s LEU 72 Cb -0.12 -1.32 0.16 0.00 0.50 0.00 0.00 46.19 45.41 2cr6 s LEU 72 CO 0.02 -0.11 0.45 -0.89 -1.32 0.00 0.00 176.35 174.50 2cr6 s THR 73 N 1.34 3.82 -0.77 3.68 2.01 0.73 -0.92 115.64 125.53 2cr6 s THR 73 Ca -0.00 -2.90 -0.26 0.00 0.31 0.00 0.00 61.69 58.83 2cr6 s THR 73 Cb -0.16 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.89 2cr6 s THR 73 CO -0.09 -0.88 1.49 -0.76 -0.69 0.00 0.00 174.62 173.69 2cr6 s LEU 74 N -0.01 3.25 0.32 4.42 1.43 -1.04 -2.31 118.68 124.73 2cr6 s LEU 74 Ca 0.17 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 2cr6 s LEU 74 Cb -0.20 -2.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.37 2cr6 s LEU 74 CO -0.04 -1.98 0.86 -0.13 0.23 0.00 0.00 176.35 175.29 2cr6 s ARG 75 N 6.02 4.31 -0.94 1.70 0.52 -1.06 -3.02 118.95 126.48 2cr6 s ARG 75 Ca 0.47 1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 56.69 2cr6 s ARG 75 Cb -0.08 -2.60 -0.05 0.00 0.52 0.00 0.00 34.95 32.74 2cr6 s ARG 75 CO 0.11 0.21 0.84 1.04 0.02 0.00 0.00 175.30 177.52 2cr6 n GLN 76 N 0.14 -1.92 -2.28 3.54 6.02 -0.92 -4.60 117.38 117.36 2cr6 n GLN 76 Ca 0.02 1.06 -0.27 0.00 -0.01 0.00 0.00 57.00 57.81 2cr6 n GLN 76 Cb 0.52 -5.76 0.17 0.00 1.02 0.00 0.00 30.24 26.19 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 -4.91 2.84 0.06 1.08 1.43 -1.22 -4.70 118.68 113.26 2cr6 s LEU 77 Ca 0.31 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2cr6 s LEU 77 Cb -0.04 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2cr6 s LEU 77 CO 0.73 -2.47 0.06 0.00 0.23 0.00 0.00 176.35 174.90 2cr6 s ALA 78 N -3.58 0.18 0.66 4.21 0.00 -1.26 -0.20 121.76 121.77 2cr6 s ALA 78 Ca 0.73 -0.92 0.41 0.00 0.00 0.00 0.00 51.96 52.17 2cr6 s ALA 78 Cb -0.03 0.34 2.25 0.00 0.00 0.00 0.00 23.12 25.68 2cr6 s ALA 78 CO 0.50 -0.41 2.31 -0.07 0.00 0.00 0.00 175.76 178.08 2cr6 h LEU 79 N 3.09 0.00 -0.14 0.00 3.38 -1.89 0.11 115.31 119.86 2cr6 h LEU 79 Ca -0.34 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 2cr6 h LEU 79 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2cr6 h LEU 79 CO 0.60 0.00 -0.36 0.07 0.09 0.00 0.00 178.44 178.85 2cr6 h LYS 80 N 0.00 0.00 0.00 1.13 2.10 -1.95 -3.14 116.57 114.71 2cr6 h LYS 80 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 2cr6 h LYS 80 Cb 0.09 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2cr6 h LYS 80 CO -0.00 0.36 -0.07 0.22 -2.00 0.00 0.00 179.45 177.95 2cr6 h ASP 81 N 0.00 0.00 -1.07 7.07 3.58 -1.16 -3.43 116.42 121.41 2cr6 h ASP 81 Ca -0.00 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.81 2cr6 h ASP 81 Cb 1.22 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.25 2cr6 h ASP 81 CO 0.05 0.07 1.47 -1.20 -2.88 0.00 0.00 179.24 176.75 2cr6 n SER 82 N -3.29 2.02 0.00 2.28 7.64 -1.19 -4.63 113.62 116.46 2cr6 n SER 82 Ca -0.01 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2cr6 n SER 82 Cb 0.28 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 6.48 1.42 3.22 0.23 0.00 0.35 -4.98 105.19 111.92 2cr6 n GLY 83 Ca 0.43 0.34 -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 2.08 -0.86 -0.04 2.61 2.01 -1.26 -1.75 115.64 118.43 2cr6 s THR 84 Ca 0.00 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 2cr6 s THR 84 Cb 0.00 -0.91 -0.07 0.00 0.01 0.00 0.00 72.50 71.53 2cr6 s THR 84 CO 0.00 -0.02 1.87 -0.63 -0.69 0.00 0.00 174.62 175.15 2cr6 s ILE 85 N 2.76 3.26 -0.82 1.82 -1.09 -0.81 -2.18 121.20 124.14 2cr6 s ILE 85 Ca 0.10 0.30 -0.07 0.00 -2.23 0.00 0.00 60.65 58.75 2cr6 s ILE 85 Cb -0.14 -3.22 0.21 0.00 -1.58 0.00 0.00 42.46 37.73 2cr6 s ILE 85 CO -0.18 -0.05 0.72 -0.31 -1.23 0.00 0.00 174.94 173.88 2cr6 s TYR 86 N 4.84 3.75 0.58 3.97 2.02 0.90 -2.50 117.35 130.90 2cr6 s TYR 86 Ca 0.84 -2.53 -0.19 0.00 -0.37 0.00 0.00 57.07 54.82 2cr6 s TYR 86 Cb -0.37 -3.51 -0.04 0.00 -0.40 0.00 0.00 41.96 37.64 2cr6 s TYR 86 CO 0.36 -0.89 1.19 0.12 -1.57 0.00 0.00 175.55 174.76 2cr6 s PHE 87 N -0.42 2.46 -0.03 2.71 5.36 -1.20 -2.43 117.98 124.43 2cr6 s PHE 87 Ca 0.21 1.52 0.01 0.00 -0.96 0.00 0.00 56.93 57.72 2cr6 s PHE 87 Cb -0.13 -3.43 0.01 0.00 -0.34 0.00 0.00 43.02 39.14 2cr6 s PHE 87 CO -0.08 -2.05 -0.05 -1.21 -1.46 0.00 0.00 175.22 170.37 2cr6 s GLU 88 N -3.34 0.70 -0.33 10.12 2.02 -0.65 -2.28 118.70 124.94 2cr6 s GLU 88 Ca 0.76 -0.14 0.03 0.00 0.02 0.00 0.00 54.97 55.64 2cr6 s GLU 88 Cb -0.29 -0.71 0.19 0.00 0.10 0.00 0.00 34.13 33.43 2cr6 s GLU 88 CO 0.32 -0.00 0.71 0.00 0.02 0.00 0.00 175.26 176.30 2cr6 s ALA 89 N 0.54 -2.82 0.00 5.21 0.00 -1.12 -2.80 121.76 120.77 2cr6 s ALA 89 Ca -0.07 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2cr6 s ALA 89 Cb -0.10 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2cr6 s ALA 89 CO 0.00 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.11 2cr6 n GLY 90 N 4.88 1.89 0.68 0.00 0.00 -1.26 -2.84 105.19 108.54 2cr6 n GLY 90 Ca 0.08 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 9.97 3.11 -4.43 1.61 2.03 -1.26 -5.01 116.55 122.57 2cr6 n ASP 91 Ca 0.00 -3.20 -0.22 0.00 0.52 0.00 0.00 54.79 51.88 2cr6 n ASP 91 Cb 0.00 -0.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.77 2cr6 n ASP 91 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2cr6 s GLN 92 N -2.93 1.57 -0.20 -0.67 -1.52 -1.13 -5.02 119.66 109.76 2cr6 s GLN 92 Ca 0.39 -1.71 -0.07 0.00 -1.95 0.00 0.00 55.36 52.02 2cr6 s GLN 92 Cb 0.34 -1.57 0.09 0.00 -0.22 0.00 0.00 33.01 31.64 2cr6 s GLN 92 CO 0.05 0.29 0.43 0.50 -0.25 0.00 0.00 175.29 176.31 2cr6 s ARG 93 N -3.52 0.35 0.75 2.91 3.52 -1.26 -2.80 118.95 118.89 2cr6 s ARG 93 Ca 0.27 1.04 -0.06 0.00 -0.13 0.00 0.00 55.73 56.86 2cr6 s ARG 93 Cb -0.04 0.33 0.11 0.00 -1.56 0.00 0.00 34.95 33.79 2cr6 s ARG 93 CO 0.12 -0.24 1.04 0.00 -0.81 0.00 0.00 175.30 175.42 2cr6 s ALA 94 N 2.52 3.23 -0.30 6.12 0.00 -0.97 -4.91 121.76 127.46 2cr6 s ALA 94 Ca -0.03 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 2cr6 s ALA 94 Cb -0.12 -2.38 0.19 0.00 0.00 0.00 0.00 23.12 20.81 2cr6 s ALA 94 CO -0.13 -1.52 0.63 -1.54 0.00 0.00 0.00 175.76 173.20 2cr6 s SER 95 N -4.66 -1.34 -0.01 0.00 1.04 -1.24 -3.26 113.70 104.23 2cr6 s SER 95 Ca 0.65 0.78 0.08 0.00 0.48 0.00 0.00 55.95 57.93 2cr6 s SER 95 Cb -0.07 2.10 -0.02 0.00 0.10 0.00 0.00 66.02 68.12 2cr6 s SER 95 CO 0.46 -0.25 -0.25 0.00 0.98 0.00 0.00 173.24 174.17 2cr6 s ALA 96 N 2.86 2.21 -0.60 5.32 0.00 -1.04 -4.83 121.76 125.68 2cr6 s ALA 96 Ca 0.19 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.75 2cr6 s ALA 96 Cb -0.14 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2cr6 s ALA 96 CO -0.21 0.53 1.90 0.00 0.00 0.00 0.00 175.76 177.98 2cr6 s ALA 97 N -0.64 2.14 -0.86 0.00 0.00 -1.26 -1.92 121.76 119.23 2cr6 s ALA 97 Ca 0.10 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.26 2cr6 s ALA 97 Cb -0.10 -4.30 0.10 0.00 0.00 0.00 0.00 23.12 18.82 2cr6 s ALA 97 CO -0.00 -3.92 1.12 -1.17 0.00 0.00 0.00 175.76 171.78 2cr6 s LEU 98 N 9.27 4.62 -0.04 0.00 2.96 -0.72 -1.96 118.68 132.81 2cr6 s LEU 98 Ca 0.69 -1.63 -0.11 0.00 -0.22 0.00 0.00 54.13 52.86 2cr6 s LEU 98 Cb -0.13 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 2cr6 s LEU 98 CO 0.21 -1.25 0.30 -0.13 -1.32 0.00 0.00 176.35 174.16 2cr6 s ARG 99 N 3.44 3.71 -0.25 1.98 0.52 0.40 -0.49 118.95 128.27 2cr6 s ARG 99 Ca 0.31 0.17 -0.02 0.00 -0.52 0.00 0.00 55.73 55.68 2cr6 s ARG 99 Cb -0.08 -3.20 0.12 0.00 0.52 0.00 0.00 34.95 32.32 2cr6 s ARG 99 CO -0.03 0.72 0.30 0.08 0.02 0.00 0.00 175.30 176.39 2cr6 s VAL 100 N -1.08 -0.45 0.62 3.52 1.01 -1.26 -3.00 120.40 119.76 2cr6 s VAL 100 Ca 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 2cr6 s VAL 100 Cb -0.15 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.46 2cr6 s VAL 100 CO 0.10 -0.27 0.87 0.42 0.00 0.00 0.00 175.10 176.21 2cr6 s THR 101 N 2.42 2.47 1.08 3.92 -4.23 -1.07 -4.66 115.64 115.57 2cr6 s THR 101 Ca 0.10 -0.60 -0.17 0.00 -1.18 0.00 0.00 61.69 59.84 2cr6 s THR 101 Cb -0.15 -2.87 0.09 0.00 1.34 0.00 0.00 72.50 70.91 2cr6 s THR 101 CO -0.21 0.00 0.12 -0.62 -0.54 0.00 0.00 174.62 173.36 2cr6 n GLU 102 N -2.55 -1.32 -4.21 3.99 1.02 -1.26 -0.04 120.64 116.27 2cr6 n GLU 102 Ca 0.10 -0.36 -0.15 0.00 -0.02 0.00 0.00 57.16 56.73 2cr6 n GLU 102 Cb 0.60 -1.74 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 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 -3.51 0.96 0.32 3.49 0.00 -1.26 -4.03 119.74 115.71 2cr6 s LYS 103 Ca 0.56 -1.28 0.11 0.00 0.00 0.00 0.00 55.97 55.36 2cr6 s LYS 103 Cb -0.14 -0.62 0.53 0.00 0.00 0.00 0.00 37.83 37.59 2cr6 s LYS 103 CO 0.66 0.09 1.72 -1.00 0.00 0.00 0.00 175.35 176.82 2cr6 h PRO 104 N 3.26 0.03 -1.64 1.78 0.13 -1.96 -3.46 132.00 130.14 2cr6 h PRO 104 Ca -0.37 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.79 2cr6 h PRO 104 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 2cr6 h PRO 104 CO 0.57 0.51 0.45 -1.54 -0.23 0.00 0.00 178.00 177.75 2cr6 s SER 105 N -6.89 -0.46 -0.03 1.44 1.04 -1.26 -5.18 113.70 102.36 2cr6 s SER 105 Ca -0.02 0.72 -0.23 0.00 0.48 0.00 0.00 55.95 56.90 2cr6 s SER 105 Cb 0.13 0.68 0.05 0.00 0.10 0.00 0.00 66.02 66.98 2cr6 s SER 105 CO 0.75 -0.26 0.50 0.54 0.98 0.00 0.00 173.24 175.74 2cr6 s VAL 106 N -0.36 0.03 0.00 5.02 0.11 -1.26 -4.99 120.40 118.94 2cr6 s VAL 106 Ca 0.00 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 2cr6 s VAL 106 Cb -0.03 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 2cr6 s VAL 106 CO -0.02 -0.13 0.00 0.33 -3.33 0.00 0.00 175.10 171.95 2cr6 n PHE 107 N 1.05 0.00 -3.98 1.54 7.35 -1.26 -5.12 117.46 117.04 2cr6 n PHE 107 Ca -0.20 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.51 2cr6 n PHE 107 Cb 0.57 -0.20 0.01 0.00 0.35 0.00 0.00 39.48 40.21 2cr6 n PHE 107 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2cr6 n SER 108 N -1.80 -1.12 0.02 -2.13 3.41 -1.26 -5.11 113.62 105.63 2cr6 n SER 108 Ca 0.00 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 2cr6 n SER 108 Cb 0.00 1.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.69 2cr6 n SER 108 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2cr6 n ARG 109 N -0.81 0.00 -4.42 4.33 0.63 -1.26 -4.86 116.66 110.26 2cr6 n ARG 109 Ca 0.04 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.70 2cr6 n ARG 109 Cb 0.52 -0.07 -0.12 0.00 0.45 0.00 0.00 32.46 33.24 2cr6 n ARG 109 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2cr6 s SER 110 N -4.83 3.42 0.00 6.15 0.01 -1.26 -5.03 113.70 112.17 2cr6 s SER 110 Ca 0.00 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2cr6 s SER 110 Cb 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2cr6 s SER 110 CO 0.00 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2cr6 n GLY 111 N 0.23 0.64 3.20 3.44 0.00 -1.26 -5.05 105.19 106.39 2cr6 n GLY 111 Ca -0.12 -2.16 -0.27 0.00 0.00 0.00 0.00 46.02 43.47 2cr6 n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr6 n PRO 112 N -0.10 -2.98 -4.19 1.61 -0.04 -1.26 -5.08 135.00 122.96 2cr6 n PRO 112 Ca 0.00 -1.60 -0.24 0.00 -0.04 0.00 0.00 63.50 61.63 2cr6 n PRO 112 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2cr6 n PRO 112 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cr6 s SER 113 N -4.20 4.49 0.04 3.54 0.01 -1.26 -5.05 113.70 111.27 2cr6 s SER 113 Ca 0.65 -0.86 0.04 0.00 1.31 0.00 0.00 55.95 57.09 2cr6 s SER 113 Cb -0.06 -0.65 -0.02 0.00 0.21 0.00 0.00 66.02 65.49 2cr6 s SER 113 CO 0.50 -0.28 -0.12 -0.55 0.41 0.00 0.00 173.24 173.20 2cr6 s SER 114 N -3.80 1.37 0.00 2.44 0.15 -1.26 -5.29 113.70 107.31 2cr6 s SER 114 Ca 0.37 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2cr6 s SER 114 Cb -0.01 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2cr6 s SER 114 CO 0.21 -0.02 0.16 0.61 1.20 0.00 0.00 173.24 175.40