#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr0 n SER 2 N 0.00 -3.34 -4.70 1.61 2.88 -1.26 -4.98 113.62 103.83 2cr0 n SER 2 Ca 0.00 -0.23 -0.37 0.00 -1.33 0.00 0.00 58.87 56.94 2cr0 n SER 2 Cb 0.00 -2.38 0.06 0.00 -0.75 0.00 0.00 64.21 61.15 2cr0 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cr0 n SER 3 N -0.76 1.74 0.00 -3.46 3.41 -1.26 -4.79 113.62 108.51 2cr0 n SER 3 Ca -0.03 0.84 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 2cr0 n SER 3 Cb 0.54 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2cr0 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr0 n GLY 4 N 1.02 -0.72 2.89 5.00 0.00 -1.26 -5.11 105.19 107.01 2cr0 n GLY 4 Ca 0.15 0.25 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 2cr0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr0 s SER 5 N -4.00 1.83 -0.07 1.61 0.01 -1.26 -5.12 113.70 106.70 2cr0 s SER 5 Ca 0.00 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.04 2cr0 s SER 5 Cb 0.00 -0.70 0.02 0.00 0.21 0.00 0.00 66.02 65.55 2cr0 s SER 5 CO 0.00 -0.11 -0.09 -0.44 0.41 0.00 0.00 173.24 173.01 2cr0 s SER 6 N 1.51 1.71 -0.21 2.44 0.01 -1.26 -5.09 113.70 112.81 2cr0 s SER 6 Ca 0.00 -0.26 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 2cr0 s SER 6 Cb -0.13 -0.75 0.09 0.00 0.21 0.00 0.00 66.02 65.44 2cr0 s SER 6 CO -0.05 -0.03 0.20 -0.83 0.41 0.00 0.00 173.24 172.95 2cr0 s GLY 7 N 0.99 0.06 0.11 3.44 0.00 -1.26 -4.57 107.32 106.09 2cr0 s GLY 7 Ca -0.09 0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.74 2cr0 s GLY 7 CO -0.00 2.12 0.25 0.54 0.00 0.00 0.00 173.10 176.01 2cr0 s LYS 8 N 2.29 3.44 -0.01 2.90 1.02 -1.26 -4.82 119.74 123.30 2cr0 s LYS 8 Ca 0.06 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.23 2cr0 s LYS 8 Cb -0.16 -3.00 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 2cr0 s LYS 8 CO -0.14 0.56 1.45 -1.25 -0.92 0.00 0.00 175.35 175.06 2cr0 s PRO 9 N -2.90 4.26 0.60 -1.68 0.04 -1.26 -2.22 135.00 131.84 2cr0 s PRO 9 Ca 0.35 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.50 2cr0 s PRO 9 Cb -0.12 -3.63 0.10 0.00 0.04 0.00 0.00 34.50 30.89 2cr0 s PRO 9 CO 0.28 -0.63 0.83 0.54 0.04 0.00 0.00 177.00 178.06 2cr0 s ASN 10 N 2.11 4.99 0.23 6.66 2.20 -1.19 -4.89 114.94 125.06 2cr0 s ASN 10 Ca 0.66 -0.86 -0.13 0.00 -0.94 0.00 0.00 52.86 51.58 2cr0 s ASN 10 Cb -0.32 0.38 0.30 0.00 -2.00 0.00 0.00 41.25 39.60 2cr0 s ASN 10 CO 0.27 -1.44 1.59 0.25 -2.94 0.00 0.00 177.10 174.82 2cr0 h LEU 11 N 0.08 -0.93 -3.25 3.54 6.46 -1.95 0.26 115.31 119.52 2cr0 h LEU 11 Ca -0.29 0.25 -0.06 0.00 -0.12 0.00 0.00 57.88 57.66 2cr0 h LEU 11 Cb 1.29 0.55 -0.02 0.00 -0.73 0.00 0.00 40.66 41.75 2cr0 h LEU 11 CO 0.40 -0.28 -0.06 0.61 -0.62 0.00 0.00 178.44 178.49 2cr0 n GLY 12 N -1.51 2.70 2.16 3.75 0.00 -1.26 -4.74 105.19 106.30 2cr0 n GLY 12 Ca 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 2cr0 n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2cr0 n ASN 13 N 1.65 -0.83 -0.58 1.61 3.02 0.92 -0.98 115.26 120.06 2cr0 n ASN 13 Ca 0.11 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 2cr0 n ASN 13 Cb 0.59 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2cr0 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cr0 n GLY 14 N -0.42 1.60 3.14 7.41 0.00 -1.24 -4.54 105.19 111.14 2cr0 n GLY 14 Ca 0.00 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 2cr0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr0 s ALA 15 N -3.30 -0.86 -0.50 4.61 0.00 -0.93 -3.17 121.76 117.61 2cr0 s ALA 15 Ca 0.00 1.22 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 2cr0 s ALA 15 Cb 0.00 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.98 2cr0 s ALA 15 CO 0.00 -0.70 1.12 0.34 0.00 0.00 0.00 175.76 176.53 2cr0 s ASP 16 N 2.51 6.57 0.12 0.00 -1.08 -0.94 -3.66 116.67 120.19 2cr0 s ASP 16 Ca -0.00 0.32 0.07 0.00 -0.52 0.00 0.00 52.55 52.42 2cr0 s ASP 16 Cb -0.12 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.76 2cr0 s ASP 16 CO -0.11 -1.28 -0.08 -0.76 0.52 0.00 0.00 175.17 173.46 2cr0 s LEU 17 N 4.48 3.11 0.51 -1.34 1.43 -1.15 -4.15 118.68 121.58 2cr0 s LEU 17 Ca 0.45 -0.40 0.30 0.00 -1.03 0.00 0.00 54.13 53.46 2cr0 s LEU 17 Cb -0.08 -1.86 1.26 0.00 0.03 0.00 0.00 46.19 45.54 2cr0 s LEU 17 CO 0.30 0.15 1.95 1.55 0.23 0.00 0.00 176.35 180.53 2cr0 h PRO 18 N 3.35 0.00 0.06 1.29 0.13 -1.96 -3.05 132.00 131.83 2cr0 h PRO 18 Ca -0.48 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.33 2cr0 h PRO 18 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2cr0 h PRO 18 CO 0.54 0.09 -1.79 -0.91 -0.23 0.00 0.00 178.00 175.70 2cr0 h ASN 19 N 0.00 0.19 -3.64 1.44 4.21 -1.98 -3.49 115.58 112.31 2cr0 h ASN 19 Ca -0.00 -0.40 0.18 0.00 1.21 0.00 0.00 56.30 57.29 2cr0 h ASN 19 Cb 0.56 -0.06 -0.25 0.00 -1.12 0.00 0.00 38.32 37.45 2cr0 h ASN 19 CO 0.01 1.35 0.77 -0.72 -1.29 0.00 0.00 177.43 177.56 2cr0 s TYR 20 N -2.59 -0.19 -0.04 1.19 -0.85 -1.15 -4.31 117.35 109.41 2cr0 s TYR 20 Ca -0.11 0.30 0.02 0.00 -0.52 0.00 0.00 57.07 56.76 2cr0 s TYR 20 Cb 0.07 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 2cr0 s TYR 20 CO 0.81 -0.18 -0.07 -0.98 -1.52 0.00 0.00 175.55 173.61 2cr0 s ARG 21 N -1.19 2.67 -0.04 -3.49 3.03 -0.80 -2.95 118.95 116.17 2cr0 s ARG 21 Ca 0.04 -0.62 -0.10 0.00 2.03 0.00 0.00 55.73 57.09 2cr0 s ARG 21 Cb -0.01 -2.55 0.02 0.00 -1.03 0.00 0.00 34.95 31.38 2cr0 s ARG 21 CO -0.04 0.64 0.23 1.67 -1.13 0.00 0.00 175.30 176.67 2cr0 s TRP 22 N -0.88 -0.14 0.32 5.89 1.48 -1.24 -0.13 118.94 124.23 2cr0 s TRP 22 Ca 0.14 0.30 0.09 0.00 -1.06 0.00 0.00 56.10 55.56 2cr0 s TRP 22 Cb -0.11 0.05 -0.06 0.00 -1.16 0.00 0.00 33.47 32.19 2cr0 s TRP 22 CO 0.04 -0.25 -0.09 0.95 -4.06 0.00 0.00 176.95 173.54 2cr0 s THR 23 N -0.74 2.04 -0.02 0.66 -4.23 0.11 -2.18 115.64 111.27 2cr0 s THR 23 Ca -0.08 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.24 2cr0 s THR 23 Cb -0.05 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.25 2cr0 s THR 23 CO 0.02 -0.24 0.00 0.00 -0.54 0.00 0.00 174.62 173.86 2cr0 s GLN 24 N -3.65 0.16 0.02 3.99 -2.07 -0.15 -0.59 119.66 117.37 2cr0 s GLN 24 Ca 0.31 0.07 0.04 0.00 -1.82 0.00 0.00 55.36 53.96 2cr0 s GLN 24 Cb 0.03 -0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 31.61 2cr0 s GLN 24 CO 0.15 -0.09 -0.12 0.95 -1.32 0.00 0.00 175.29 174.85 2cr0 s THR 25 N 0.73 0.96 0.62 3.63 -4.23 0.72 -4.34 115.64 113.73 2cr0 s THR 25 Ca -0.07 -0.77 0.23 0.00 -1.18 0.00 0.00 61.69 59.90 2cr0 s THR 25 Cb -0.10 -0.85 0.33 0.00 1.34 0.00 0.00 72.50 73.22 2cr0 s THR 25 CO -0.02 0.09 1.31 -0.07 -0.54 0.00 0.00 174.62 175.39 2cr0 h LEU 26 N 5.32 0.00 0.00 4.79 3.38 -1.83 0.40 115.31 127.37 2cr0 h LEU 26 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2cr0 h LEU 26 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2cr0 h LEU 26 CO 0.46 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.83 2cr0 h ALA 27 N 0.53 0.00 -2.94 1.53 0.00 -1.89 -3.36 119.26 113.14 2cr0 h ALA 27 Ca 0.38 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 2cr0 h ALA 27 Cb 2.61 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 20.50 2cr0 h ALA 27 CO -0.00 0.16 -0.03 -1.83 0.00 0.00 0.00 179.25 177.55 2cr0 s GLU 28 N -1.68 1.97 0.19 0.00 4.04 0.13 -3.74 118.70 119.62 2cr0 s GLU 28 Ca -0.05 -1.58 0.09 0.00 0.04 0.00 0.00 54.97 53.47 2cr0 s GLU 28 Cb 0.01 0.51 -0.04 0.00 0.02 0.00 0.00 34.13 34.62 2cr0 s GLU 28 CO 0.07 -0.86 -0.07 -1.17 -1.84 0.00 0.00 175.26 171.40 2cr0 s LEU 29 N -3.15 3.06 0.05 1.83 0.20 0.68 -0.20 118.68 121.15 2cr0 s LEU 29 Ca 0.24 -0.56 0.03 0.00 0.69 0.00 0.00 54.13 54.53 2cr0 s LEU 29 Cb -0.02 -1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 44.00 2cr0 s LEU 29 CO 0.16 0.08 -0.10 -1.81 -0.29 0.00 0.00 176.35 174.39 2cr0 s ASP 30 N -2.99 1.12 0.01 3.68 1.01 0.24 -1.18 116.67 118.57 2cr0 s ASP 30 Ca 0.26 -0.53 0.00 0.00 0.71 0.00 0.00 52.55 52.99 2cr0 s ASP 30 Cb -0.08 -0.00 -0.01 0.00 1.01 0.00 0.00 42.92 43.83 2cr0 s ASP 30 CO 0.16 -0.13 -0.02 -0.22 0.21 0.00 0.00 175.17 175.17 2cr0 s LEU 31 N -1.50 2.15 -0.22 1.23 2.96 -1.04 -0.71 118.68 121.56 2cr0 s LEU 31 Ca -0.06 -0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2cr0 s LEU 31 Cb -0.09 0.05 0.08 0.00 0.50 0.00 0.00 46.19 46.72 2cr0 s LEU 31 CO 0.01 -0.19 0.11 0.00 -1.32 0.00 0.00 176.35 174.96 2cr0 s ALA 32 N -0.93 0.50 -0.41 5.97 0.00 0.81 -1.93 121.76 125.78 2cr0 s ALA 32 Ca -0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 51.96 51.16 2cr0 s ALA 32 Cb -0.06 -1.17 0.08 0.00 0.00 0.00 0.00 23.12 21.96 2cr0 s ALA 32 CO -0.01 -1.36 0.24 0.08 0.00 0.00 0.00 175.76 174.71 2cr0 s VAL 33 N 2.12 4.06 -0.04 0.00 1.01 -1.06 -1.91 120.40 124.58 2cr0 s VAL 33 Ca 0.05 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 2cr0 s VAL 33 Cb -0.16 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2cr0 s VAL 33 CO -0.20 -0.50 1.48 -2.16 0.00 0.00 0.00 175.10 173.72 2cr0 s PRO 34 N 1.39 4.23 -0.01 2.72 0.04 -1.26 -1.66 135.00 140.44 2cr0 s PRO 34 Ca 0.03 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 2cr0 s PRO 34 Cb -0.23 -3.75 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 2cr0 s PRO 34 CO 0.01 -0.70 0.25 -0.06 0.04 0.00 0.00 177.00 176.54 2cr0 s PHE 35 N 3.17 3.59 -1.15 0.56 0.40 0.16 -4.98 117.98 119.73 2cr0 s PHE 35 Ca 0.66 0.57 -0.16 0.00 -0.60 0.00 0.00 56.93 57.40 2cr0 s PHE 35 Cb -0.31 -1.98 0.14 0.00 0.51 0.00 0.00 43.02 41.37 2cr0 s PHE 35 CO 0.26 0.64 1.42 1.03 0.70 0.00 0.00 175.22 179.27 2cr0 s ARG 36 N -1.62 3.93 0.03 0.44 0.52 -1.26 -4.72 118.95 116.28 2cr0 s ARG 36 Ca 0.25 -2.20 -0.01 0.00 -0.52 0.00 0.00 55.73 53.25 2cr0 s ARG 36 Cb -0.13 -5.14 -0.03 0.00 0.52 0.00 0.00 34.95 30.17 2cr0 s ARG 36 CO 0.14 -1.89 -0.02 0.14 0.02 0.00 0.00 175.30 173.69 2cr0 s VAL 37 N 2.52 0.15 -0.19 3.52 -7.23 -1.26 -5.04 120.40 112.87 2cr0 s VAL 37 Ca 0.43 -1.24 0.16 0.00 -1.81 0.00 0.00 61.98 59.52 2cr0 s VAL 37 Cb -0.02 -0.74 0.55 0.00 0.56 0.00 0.00 36.38 36.73 2cr0 s VAL 37 CO -0.01 -0.69 1.44 -0.24 -0.31 0.00 0.00 175.10 175.30 2cr0 n SER 38 N 1.03 3.96 -3.28 4.85 2.88 -1.26 -4.92 113.62 116.88 2cr0 n SER 38 Ca -0.20 -3.04 -0.18 0.00 -1.33 0.00 0.00 58.87 54.12 2cr0 n SER 38 Cb 0.57 -0.56 -0.07 0.00 -0.75 0.00 0.00 64.21 63.41 2cr0 n SER 38 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2cr0 s PHE 39 N -2.84 1.53 -0.24 0.66 -0.71 -1.26 -5.13 117.98 109.98 2cr0 s PHE 39 Ca 0.43 -1.55 -0.24 0.00 -1.04 0.00 0.00 56.93 54.53 2cr0 s PHE 39 Cb 0.35 -0.49 -0.01 0.00 -1.21 0.00 0.00 43.02 41.66 2cr0 s PHE 39 CO 0.09 -0.98 0.81 0.50 -1.34 0.00 0.00 175.22 174.31 2cr0 s ARG 40 N -3.26 4.18 0.26 1.99 3.00 -1.26 -4.55 118.95 119.30 2cr0 s ARG 40 Ca 0.37 0.91 -0.30 0.00 -1.00 0.00 0.00 55.73 55.72 2cr0 s ARG 40 Cb 0.01 -3.65 -0.09 0.00 0.00 0.00 0.00 34.95 31.22 2cr0 s ARG 40 CO 0.25 -0.51 1.10 -0.51 0.00 0.00 0.00 175.30 175.63 2cr0 s LEU 41 N 2.82 4.54 -0.14 -0.88 1.43 -1.17 -5.04 118.68 120.25 2cr0 s LEU 41 Ca 0.34 2.24 -0.07 0.00 -1.03 0.00 0.00 54.13 55.61 2cr0 s LEU 41 Cb -0.15 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2cr0 s LEU 41 CO 0.07 -0.15 0.11 -0.54 0.23 0.00 0.00 176.35 176.08 2cr0 s LYS 42 N -1.25 3.61 0.40 1.70 -0.14 -1.26 -4.95 119.74 117.85 2cr0 s LYS 42 Ca 0.45 -0.20 0.28 0.00 -1.36 0.00 0.00 55.97 55.14 2cr0 s LYS 42 Cb -0.31 -3.20 1.39 0.00 -1.68 0.00 0.00 37.83 34.03 2cr0 s LYS 42 CO 0.40 0.61 1.49 0.41 -0.76 0.00 0.00 175.35 177.50 2cr0 n GLY 43 N 2.50 -0.78 0.15 -3.33 0.00 -1.26 0.21 105.19 102.68 2cr0 n GLY 43 Ca -0.19 0.74 -0.16 0.00 0.00 0.00 0.00 46.02 46.41 2cr0 n GLY 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cr0 h LYS 44 N 0.00 0.44 -0.93 1.61 2.10 -2.03 -3.27 116.57 114.49 2cr0 h LYS 44 Ca 0.83 -0.54 0.04 0.00 -2.00 0.00 0.00 60.65 58.98 2cr0 h LYS 44 Cb 2.58 0.17 -0.06 0.00 -0.90 0.00 0.00 32.23 34.02 2cr0 h LYS 44 CO -0.51 1.20 0.60 -0.44 -2.00 0.00 0.00 179.45 178.30 2cr0 h ASP 45 N 0.21 1.00 -3.04 7.07 3.32 0.20 -3.43 116.42 121.75 2cr0 h ASP 45 Ca -0.12 -0.01 -0.54 0.00 0.02 0.00 0.00 57.03 56.39 2cr0 h ASP 45 Cb 1.74 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 41.05 2cr0 h ASP 45 CO 0.19 0.68 -0.26 0.68 -1.72 0.00 0.00 179.24 178.80 2cr0 s VAL 46 N -6.08 5.13 -0.29 -1.35 -7.23 -0.71 -2.23 120.40 107.64 2cr0 s VAL 46 Ca -0.13 -0.12 0.02 0.00 -1.81 0.00 0.00 61.98 59.94 2cr0 s VAL 46 Cb 0.18 -3.70 0.07 0.00 0.56 0.00 0.00 36.38 33.49 2cr0 s VAL 46 CO 0.80 -0.17 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.69 2cr0 s VAL 47 N -1.88 2.35 -0.40 1.32 1.01 0.66 -4.77 120.40 118.70 2cr0 s VAL 47 Ca 0.41 -1.78 0.03 0.00 0.00 0.00 0.00 61.98 60.64 2cr0 s VAL 47 Cb -0.11 -2.47 0.11 0.00 0.00 0.00 0.00 36.38 33.91 2cr0 s VAL 47 CO 0.28 -0.19 0.14 -0.69 0.00 0.00 0.00 175.10 174.64 2cr0 s VAL 48 N 1.08 2.09 -0.24 2.92 1.01 -1.26 -1.42 120.40 124.59 2cr0 s VAL 48 Ca -0.03 -2.53 -0.19 0.00 0.00 0.00 0.00 61.98 59.22 2cr0 s VAL 48 Cb -0.20 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2cr0 s VAL 48 CO -0.05 -0.70 0.58 -0.62 0.00 0.00 0.00 175.10 174.31 2cr0 s ASP 49 N 0.58 6.55 -0.19 3.32 2.15 0.23 -4.93 116.67 124.39 2cr0 s ASP 49 Ca 0.13 0.67 -0.02 0.00 0.43 0.00 0.00 52.55 53.76 2cr0 s ASP 49 Cb -0.21 -2.32 -0.01 0.00 -0.30 0.00 0.00 42.92 40.08 2cr0 s ASP 49 CO -0.07 -0.30 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.92 2cr0 s ILE 50 N 2.20 3.17 0.30 4.11 1.01 -1.26 -0.06 121.20 130.66 2cr0 s ILE 50 Ca 0.25 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.33 2cr0 s ILE 50 Cb -0.16 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 2cr0 s ILE 50 CO 0.09 0.47 0.03 0.00 0.00 0.00 0.00 174.94 175.53 2cr0 n GLN 51 N 4.35 1.06 0.34 2.79 1.13 0.11 -5.00 117.38 122.17 2cr0 n GLN 51 Ca -0.18 -2.30 -0.16 0.00 -1.94 0.00 0.00 57.00 52.42 2cr0 n GLN 51 Cb 0.51 0.81 -0.08 0.00 0.11 0.00 0.00 30.24 31.59 2cr0 n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2cr0 h ARG 52 N 0.00 -0.85 -0.49 -1.09 9.65 -1.97 -3.35 114.38 116.28 2cr0 h ARG 52 Ca -0.25 0.06 -0.36 0.00 -1.10 0.00 0.00 59.98 58.33 2cr0 h ARG 52 Cb 0.80 0.19 -0.31 0.00 -1.39 0.00 0.00 29.97 29.26 2cr0 h ARG 52 CO 0.40 -0.53 -0.76 -2.13 2.80 0.00 0.00 179.97 179.75 2cr0 n ARG 53 N -5.40 2.79 -3.63 0.20 0.63 -1.26 -1.11 116.66 108.88 2cr0 n ARG 53 Ca -0.12 -3.81 -0.13 0.00 -0.92 0.00 0.00 57.85 52.87 2cr0 n ARG 53 Cb 0.37 -1.97 -0.07 0.00 0.45 0.00 0.00 32.46 31.24 2cr0 n ARG 53 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2cr0 s HIS 54 N -3.39 -0.82 -0.00 -0.14 2.46 -1.26 -1.43 115.29 110.71 2cr0 s HIS 54 Ca 0.45 1.95 0.00 0.00 0.47 0.00 0.00 55.06 57.93 2cr0 s HIS 54 Cb 0.39 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 33.16 2cr0 s HIS 54 CO -0.00 -0.40 -0.01 -1.17 -2.47 0.00 0.00 174.74 170.69 2cr0 s LEU 55 N 0.54 1.90 -0.03 8.88 2.96 -1.26 0.09 118.68 131.76 2cr0 s LEU 55 Ca -0.01 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2cr0 s LEU 55 Cb -0.05 -0.07 0.02 0.00 0.50 0.00 0.00 46.19 46.59 2cr0 s LEU 55 CO -0.02 -0.00 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.40 2cr0 s ARG 56 N 0.10 0.38 0.07 1.98 3.52 0.91 -3.81 118.95 122.11 2cr0 s ARG 56 Ca -0.01 0.00 0.03 0.00 -0.13 0.00 0.00 55.73 55.62 2cr0 s ARG 56 Cb -0.02 -0.50 -0.03 0.00 -1.56 0.00 0.00 34.95 32.84 2cr0 s ARG 56 CO -0.00 -0.08 -0.08 0.08 -0.81 0.00 0.00 175.30 174.40 2cr0 s VAL 57 N 0.77 0.71 -5.00 7.11 1.01 -0.64 0.77 120.40 125.13 2cr0 s VAL 57 Ca -0.08 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.41 2cr0 s VAL 57 Cb -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2cr0 s VAL 57 CO -0.01 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.13 2cr0 n GLY 58 N 0.77 -0.06 3.49 4.51 0.00 -0.51 -1.34 105.19 112.05 2cr0 n GLY 58 Ca -0.18 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 2cr0 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cr0 s LEU 59 N 0.00 2.65 0.23 0.99 1.43 -1.26 -0.25 118.68 122.47 2cr0 s LEU 59 Ca 0.00 -1.04 -0.32 0.00 -1.03 0.00 0.00 54.13 51.75 2cr0 s LEU 59 Cb 0.00 -1.12 -0.12 0.00 0.03 0.00 0.00 46.19 44.98 2cr0 s LEU 59 CO 0.00 -0.00 1.70 -0.54 0.23 0.00 0.00 176.35 177.74 2cr0 s LYS 60 N -3.54 4.12 0.00 1.70 -0.14 -0.95 -3.16 119.74 117.78 2cr0 s LYS 60 Ca 0.31 2.61 0.00 0.00 -1.36 0.00 0.00 55.97 57.53 2cr0 s LYS 60 Cb -0.04 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 33.05 2cr0 s LYS 60 CO 0.16 -0.74 0.00 0.41 -0.76 0.00 0.00 175.35 174.42 2cr0 n GLY 61 N 3.62 1.22 3.53 -3.33 0.00 -1.26 -4.92 105.19 104.05 2cr0 n GLY 61 Ca 0.14 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2cr0 n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cr0 n GLN 62 N 0.00 -0.84 -2.22 1.61 3.00 -1.19 -4.92 117.38 112.83 2cr0 n GLN 62 Ca 0.00 -0.19 -0.42 0.00 -0.01 0.00 0.00 57.00 56.38 2cr0 n GLN 62 Cb 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 30.24 28.07 2cr0 n GLN 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2cr0 s PRO 63 N -4.22 4.37 0.07 -1.09 0.04 -1.26 -4.49 135.00 128.42 2cr0 s PRO 63 Ca 0.63 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 63.41 2cr0 s PRO 63 Cb -0.22 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.03 2cr0 s PRO 63 CO 0.63 -0.31 1.39 -1.25 0.04 0.00 0.00 177.00 177.49 2cr0 s PRO 64 N 0.36 4.31 0.24 0.56 0.04 -1.26 -4.55 135.00 134.70 2cr0 s PRO 64 Ca 0.59 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.61 2cr0 s PRO 64 Cb -0.36 -3.39 0.25 0.00 0.04 0.00 0.00 34.50 31.04 2cr0 s PRO 64 CO 0.35 -0.49 1.79 0.28 0.04 0.00 0.00 177.00 178.97 2cr0 h VAL 65 N 4.53 1.25 -3.42 -0.36 2.07 -1.59 -3.40 116.25 115.33 2cr0 h VAL 65 Ca -0.41 -0.84 -0.67 0.00 0.82 0.00 0.00 66.70 65.61 2cr0 h VAL 65 Cb 1.20 0.46 -0.33 0.00 -1.52 0.00 0.00 31.29 31.11 2cr0 h VAL 65 CO 0.88 0.33 -0.78 -0.69 0.02 0.00 0.00 177.57 177.33 2cr0 s VAL 66 N -5.40 2.67 -0.25 2.57 1.01 -1.17 -5.01 120.40 114.82 2cr0 s VAL 66 Ca -0.11 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 2cr0 s VAL 66 Cb 0.16 -2.30 0.14 0.00 0.00 0.00 0.00 36.38 34.37 2cr0 s VAL 66 CO 0.83 0.29 0.38 1.51 0.00 0.00 0.00 175.10 178.10 2cr0 s ASP 67 N 1.31 0.34 0.00 3.32 1.47 -1.26 -1.63 116.67 120.22 2cr0 s ASP 67 Ca 0.01 0.10 0.00 0.00 1.18 0.00 0.00 52.55 53.84 2cr0 s ASP 67 Cb -0.16 1.08 0.00 0.00 -0.34 0.00 0.00 42.92 43.50 2cr0 s ASP 67 CO -0.06 -0.31 0.00 0.61 0.68 0.00 0.00 175.17 176.08 2cr0 n GLY 68 N 5.36 1.90 3.65 2.12 0.00 -1.25 -4.91 105.19 112.06 2cr0 n GLY 68 Ca -0.03 -0.23 -0.46 0.00 0.00 0.00 0.00 46.02 45.30 2cr0 n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cr0 n GLU 69 N -0.31 1.86 -2.34 1.61 2.13 -1.26 -4.03 120.64 118.30 2cr0 n GLU 69 Ca 0.00 0.67 -0.39 0.00 0.66 0.00 0.00 57.16 58.09 2cr0 n GLU 69 Cb 0.00 -2.32 -0.03 0.00 0.27 0.00 0.00 31.44 29.36 2cr0 n GLU 69 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2cr0 s LEU 70 N 0.35 4.34 0.15 4.31 1.43 -0.51 -0.57 118.68 128.17 2cr0 s LEU 70 Ca 0.72 2.35 -0.26 0.00 -1.03 0.00 0.00 54.13 55.91 2cr0 s LEU 70 Cb -0.70 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 41.67 2cr0 s LEU 70 CO 0.48 -0.47 1.59 0.22 0.23 0.00 0.00 176.35 178.40 2cr0 h TYR 71 N 3.11 -1.04 -2.50 0.29 3.20 -1.75 -3.45 116.97 114.84 2cr0 h TYR 71 Ca -0.48 0.05 -0.53 0.00 3.14 0.00 0.00 58.73 60.91 2cr0 h TYR 71 Cb 1.22 0.50 -0.13 0.00 1.54 0.00 0.00 36.73 39.85 2cr0 h TYR 71 CO 0.57 -0.42 -0.55 1.21 -1.64 0.00 0.00 178.16 177.32 2cr0 s ASN 72 N -4.99 2.75 0.56 -2.11 2.47 -1.26 -5.09 114.94 107.27 2cr0 s ASN 72 Ca -0.15 -1.55 -0.18 0.00 0.42 0.00 0.00 52.86 51.40 2cr0 s ASN 72 Cb 0.11 0.26 -0.05 0.00 -1.45 0.00 0.00 41.25 40.13 2cr0 s ASN 72 CO 0.66 -0.79 1.10 -1.61 -3.72 0.00 0.00 177.10 172.74 2cr0 s GLU 73 N -3.80 3.31 -0.07 0.43 2.02 -1.26 -4.72 118.70 114.60 2cr0 s GLU 73 Ca 0.27 1.48 -0.03 0.00 0.02 0.00 0.00 54.97 56.71 2cr0 s GLU 73 Cb 0.05 -2.01 0.04 0.00 0.10 0.00 0.00 34.13 32.31 2cr0 s GLU 73 CO 0.14 -0.86 0.15 0.14 0.02 0.00 0.00 175.26 174.85 2cr0 s VAL 74 N -2.01 -0.11 -0.92 2.63 -7.23 -0.27 -3.27 120.40 109.24 2cr0 s VAL 74 Ca 0.70 0.23 -0.15 0.00 -1.81 0.00 0.00 61.98 60.94 2cr0 s VAL 74 Cb -0.21 -0.26 -0.27 0.00 0.56 0.00 0.00 36.38 36.20 2cr0 s VAL 74 CO 0.30 0.09 2.23 1.17 -0.31 0.00 0.00 175.10 178.58 2cr0 n LYS 75 N 4.51 0.19 -0.12 4.82 4.81 0.34 -4.51 118.16 128.20 2cr0 n LYS 75 Ca -0.21 -0.31 -0.04 0.00 -0.87 0.00 0.00 58.31 56.88 2cr0 n LYS 75 Cb 0.51 -1.95 0.15 0.00 0.02 0.00 0.00 35.03 33.77 2cr0 n LYS 75 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2cr0 h VAL 76 N 7.24 1.24 -0.04 3.15 3.04 -1.85 0.41 116.25 129.44 2cr0 h VAL 76 Ca 0.03 -0.97 0.01 0.00 -1.01 0.00 0.00 66.70 64.76 2cr0 h VAL 76 Cb 1.08 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2cr0 h VAL 76 CO 1.40 0.35 0.11 -0.33 -1.01 0.00 0.00 177.57 178.10 2cr0 h GLU 77 N 0.78 0.00 0.00 4.17 4.39 -1.95 -2.40 114.58 119.58 2cr0 h GLU 77 Ca 0.16 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.63 2cr0 h GLU 77 Cb 0.42 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 2cr0 h GLU 77 CO 0.01 0.00 -1.85 0.39 -1.16 0.00 0.00 179.01 176.40 2cr0 n GLU 78 N -3.32 1.64 -1.38 2.33 -0.58 -0.82 -5.02 120.64 113.48 2cr0 n GLU 78 Ca -0.02 0.02 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 2cr0 n GLU 78 Cb 0.19 -1.31 0.04 0.00 -0.57 0.00 0.00 31.44 29.78 2cr0 n GLU 78 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2cr0 n SER 79 N -2.57 -1.77 -3.56 1.62 7.64 0.14 -4.93 113.62 110.19 2cr0 n SER 79 Ca -0.22 0.69 -0.04 0.00 1.01 0.00 0.00 58.87 60.31 2cr0 n SER 79 Cb 0.88 -1.10 -0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2cr0 n SER 79 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr0 s SER 80 N -1.17 -0.11 0.23 6.43 0.01 -0.96 -4.96 113.70 113.18 2cr0 s SER 80 Ca 0.65 -0.58 -0.08 0.00 1.31 0.00 0.00 55.95 57.25 2cr0 s SER 80 Cb -0.44 0.55 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 2cr0 s SER 80 CO 0.58 -1.05 0.33 -1.66 0.41 0.00 0.00 173.24 171.84 2cr0 s TRP 81 N -2.90 0.72 -0.26 2.43 1.48 -1.26 0.85 118.94 119.99 2cr0 s TRP 81 Ca 0.15 -1.02 -0.25 0.00 -1.06 0.00 0.00 56.10 53.92 2cr0 s TRP 81 Cb -0.02 -0.14 0.08 0.00 -1.16 0.00 0.00 33.47 32.23 2cr0 s TRP 81 CO 0.05 -0.84 0.80 -0.48 -4.06 0.00 0.00 176.95 172.41 2cr0 s LEU 82 N -3.08 -0.66 -0.14 -4.66 0.05 0.46 -4.97 118.68 105.67 2cr0 s LEU 82 Ca 0.30 1.26 -0.29 0.00 0.05 0.00 0.00 54.13 55.44 2cr0 s LEU 82 Cb 0.03 2.31 -0.01 0.00 -2.05 0.00 0.00 46.19 46.47 2cr0 s LEU 82 CO 0.11 -0.24 1.07 -0.63 -0.55 0.00 0.00 176.35 176.10 2cr0 s ILE 83 N 0.25 4.63 -0.04 1.48 1.01 -1.26 -1.67 121.20 125.60 2cr0 s ILE 83 Ca 0.00 1.93 -0.05 0.00 0.00 0.00 0.00 60.65 62.53 2cr0 s ILE 83 Cb -0.05 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2cr0 s ILE 83 CO -0.00 -0.07 0.20 -1.61 0.00 0.00 0.00 174.94 173.46 2cr0 s GLU 84 N 2.54 3.49 -0.13 2.79 0.41 0.12 -4.32 118.70 123.60 2cr0 s GLU 84 Ca 0.49 -0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.87 2cr0 s GLU 84 Cb -0.18 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 29.04 2cr0 s GLU 84 CO 0.15 0.70 0.00 -0.25 -0.49 0.00 0.00 175.26 175.36 2cr0 n ASP 85 N 1.31 -0.84 -0.90 -0.19 8.00 -1.26 -0.20 116.55 122.46 2cr0 n ASP 85 Ca -0.14 0.25 -0.06 0.00 0.71 0.00 0.00 54.79 55.55 2cr0 n ASP 85 Cb 0.53 -1.02 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 2cr0 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cr0 n GLY 86 N -0.28 0.61 0.00 0.44 0.00 -1.26 -4.53 105.19 100.18 2cr0 n GLY 86 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2cr0 n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cr0 n LYS 87 N -1.02 2.82 -4.41 1.61 -0.00 0.71 -3.02 118.16 114.85 2cr0 n LYS 87 Ca -0.06 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.01 2cr0 n LYS 87 Cb 0.27 -0.70 -0.11 0.00 -0.00 0.00 0.00 35.03 34.50 2cr0 n LYS 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2cr0 s VAL 88 N -1.05 2.18 -0.34 0.58 1.01 0.36 0.37 120.40 123.51 2cr0 s VAL 88 Ca 0.00 -2.18 0.02 0.00 0.00 0.00 0.00 61.98 59.82 2cr0 s VAL 88 Cb 0.00 -2.11 0.10 0.00 0.00 0.00 0.00 36.38 34.37 2cr0 s VAL 88 CO 0.00 -0.35 0.10 -0.69 0.00 0.00 0.00 175.10 174.16 2cr0 s VAL 89 N -2.28 1.54 0.08 2.92 1.01 -0.67 0.14 120.40 123.14 2cr0 s VAL 89 Ca 0.23 -1.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.10 2cr0 s VAL 89 Cb -0.05 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 2cr0 s VAL 89 CO 0.10 -0.67 0.52 0.42 0.00 0.00 0.00 175.10 175.47 2cr0 s THR 90 N 1.15 4.85 -0.09 3.92 -4.23 -0.67 -2.56 115.64 118.01 2cr0 s THR 90 Ca 0.11 0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 61.60 2cr0 s THR 90 Cb -0.19 -3.80 0.03 0.00 1.34 0.00 0.00 72.50 69.88 2cr0 s THR 90 CO -0.15 0.46 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.67 2cr0 s VAL 91 N -1.21 0.62 -0.06 2.29 1.01 -0.81 -0.40 120.40 121.83 2cr0 s VAL 91 Ca 0.30 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 2cr0 s VAL 91 Cb -0.17 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2cr0 s VAL 91 CO 0.18 0.30 0.60 -2.28 0.00 0.00 0.00 175.10 173.90 2cr0 s HIS 92 N 1.83 3.59 -0.21 5.22 2.46 0.25 -2.50 115.29 125.93 2cr0 s HIS 92 Ca 0.04 1.13 0.01 0.00 0.47 0.00 0.00 55.06 56.72 2cr0 s HIS 92 Cb -0.12 -2.67 0.03 0.00 -0.13 0.00 0.00 32.58 29.69 2cr0 s HIS 92 CO -0.06 0.19 -0.17 -0.51 -2.47 0.00 0.00 174.74 171.73 2cr0 s LEU 93 N 0.44 2.59 -0.27 8.88 1.43 -0.32 -2.26 118.68 129.17 2cr0 s LEU 93 Ca 0.32 -0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 2cr0 s LEU 93 Cb -0.17 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2cr0 s LEU 93 CO 0.16 -0.06 0.90 -0.70 0.23 0.00 0.00 176.35 176.87 2cr0 s GLU 94 N 1.23 4.13 -0.17 1.70 2.56 -1.26 -0.23 118.70 126.67 2cr0 s GLU 94 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 54.97 55.64 2cr0 s GLU 94 Cb -0.15 -3.68 -0.01 0.00 2.00 0.00 0.00 34.13 32.29 2cr0 s GLU 94 CO -0.10 -0.63 1.26 0.15 -0.56 0.00 0.00 175.26 175.37 2cr0 s LYS 95 N 3.06 4.23 0.35 4.30 1.02 -1.25 0.13 119.74 131.58 2cr0 s LYS 95 Ca 0.38 1.65 0.15 0.00 0.02 0.00 0.00 55.97 58.17 2cr0 s LYS 95 Cb -0.14 -3.76 1.11 0.00 -0.52 0.00 0.00 37.83 34.52 2cr0 s LYS 95 CO 0.09 -0.70 1.66 0.82 -0.92 0.00 0.00 175.35 176.30 2cr0 h ILE 96 N 5.48 0.28 -3.53 2.17 1.08 -1.89 -3.33 117.51 117.78 2cr0 h ILE 96 Ca -0.26 -0.10 -0.67 0.00 -0.39 0.00 0.00 64.86 63.43 2cr0 h ILE 96 Cb 1.10 -0.05 -0.35 0.00 -3.07 0.00 0.00 36.82 34.46 2cr0 h ILE 96 CO 0.97 0.06 -0.80 0.20 -0.69 0.00 0.00 178.15 177.89 2cr0 s ASN 97 N -4.88 4.04 0.00 1.72 0.01 -1.26 -4.97 114.94 109.61 2cr0 s ASN 97 Ca -0.10 -1.03 0.13 0.00 -0.71 0.00 0.00 52.86 51.14 2cr0 s ASN 97 Cb 0.30 -1.57 0.55 0.00 0.41 0.00 0.00 41.25 40.95 2cr0 s ASN 97 CO 0.79 -0.12 1.39 0.29 -1.51 0.00 0.00 177.10 177.94 2cr0 n LYS 98 N 4.56 0.02 -1.35 -0.60 4.76 -1.25 -2.40 118.16 121.90 2cr0 n LYS 98 Ca -0.17 0.27 -0.26 0.00 -2.87 0.00 0.00 58.31 55.29 2cr0 n LYS 98 Cb 0.46 -1.50 0.11 0.00 -1.84 0.00 0.00 35.03 32.26 2cr0 n LYS 98 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2cr0 n MET 99 N -1.47 2.62 -4.05 1.97 2.81 -1.26 -4.22 117.12 113.52 2cr0 n MET 99 Ca 0.03 -3.38 -0.13 0.00 -1.81 0.00 0.00 57.70 52.42 2cr0 n MET 99 Cb 0.14 -2.18 -0.12 0.00 -0.71 0.00 0.00 33.22 30.34 2cr0 n MET 99 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2cr0 s GLU 100 N -3.58 0.41 0.40 0.03 2.56 -1.01 -5.16 118.70 112.35 2cr0 s GLU 100 Ca 0.57 -0.51 0.08 0.00 0.00 0.00 0.00 54.97 55.11 2cr0 s GLU 100 Cb 0.47 -0.22 -0.02 0.00 2.00 0.00 0.00 34.13 36.36 2cr0 s GLU 100 CO 0.02 0.04 0.39 -1.58 -0.56 0.00 0.00 175.26 173.57 2cr0 s TRP 101 N -0.95 2.77 0.07 5.30 0.52 -1.26 -4.58 118.94 120.82 2cr0 s TRP 101 Ca -0.07 -0.43 0.09 0.00 0.02 0.00 0.00 56.10 55.70 2cr0 s TRP 101 Cb -0.07 -2.11 -0.03 0.00 -1.15 0.00 0.00 33.47 30.10 2cr0 s TRP 101 CO -0.00 -0.09 -0.24 -1.58 0.02 0.00 0.00 176.95 175.06 2cr0 s TRP 102 N -2.41 2.04 -0.33 -1.98 0.52 -1.26 -5.03 118.94 110.49 2cr0 s TRP 102 Ca 0.47 -0.39 0.21 0.00 0.02 0.00 0.00 56.10 56.41 2cr0 s TRP 102 Cb -0.05 -1.18 -0.30 0.00 -1.15 0.00 0.00 33.47 30.79 2cr0 s TRP 102 CO 0.28 0.17 0.60 -1.71 0.02 0.00 0.00 176.95 176.32 2cr0 n ASN 103 N 1.50 0.36 -3.60 2.95 2.85 -1.26 -4.87 115.26 113.19 2cr0 n ASN 103 Ca -0.18 -0.31 -0.05 0.00 -0.11 0.00 0.00 54.58 53.93 2cr0 n ASN 103 Cb 0.53 1.68 -0.03 0.00 1.24 0.00 0.00 39.78 43.20 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cr0 s ARG 104 N -3.33 0.32 0.05 1.20 1.70 -1.26 -2.18 118.95 115.44 2cr0 s ARG 104 Ca -0.03 -0.06 -0.28 0.00 -0.47 0.00 0.00 55.73 54.89 2cr0 s ARG 104 Cb 0.14 0.15 -0.17 0.00 -0.57 0.00 0.00 34.95 34.50 2cr0 s ARG 104 CO 0.89 -0.13 1.53 1.25 -1.08 0.00 0.00 175.30 177.75 2cr0 h LEU 105 N 2.08 -0.41 -9.28 -1.89 5.85 -1.92 -3.39 115.31 106.35 2cr0 h LEU 105 Ca -0.10 -0.06 -0.54 0.00 0.84 0.00 0.00 57.88 58.02 2cr0 h LEU 105 Cb 1.17 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 42.18 2cr0 h LEU 105 CO 0.24 -0.20 -0.50 0.68 -0.34 0.00 0.00 178.44 178.32 2cr0 s VAL 106 N -5.61 0.35 -0.21 1.05 -7.23 -1.26 -3.55 120.40 103.94 2cr0 s VAL 106 Ca -0.15 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.03 2cr0 s VAL 106 Cb 0.04 -2.36 0.14 0.00 0.56 0.00 0.00 36.38 34.75 2cr0 s VAL 106 CO 0.61 0.00 1.11 0.35 -0.31 0.00 0.00 175.10 176.86 2cr0 n THR 107 N -0.84 1.30 0.00 5.32 -2.24 0.27 -3.69 114.28 114.40 2cr0 n THR 107 Ca -0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2cr0 n THR 107 Cb 0.64 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 2cr0 n THR 107 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2cr0 n SER 108 N 0.16 1.52 -4.73 3.42 2.88 -1.26 -4.92 113.62 110.69 2cr0 n SER 108 Ca 0.11 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.34 2cr0 n SER 108 Cb 0.69 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.27 2cr0 n SER 108 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2cr0 s ASP 109 N -4.50 3.85 0.58 -3.46 1.47 -1.24 -5.00 116.67 108.37 2cr0 s ASP 109 Ca 0.00 1.74 -0.18 0.00 1.18 0.00 0.00 52.55 55.29 2cr0 s ASP 109 Cb 0.00 -2.40 -0.04 0.00 -0.34 0.00 0.00 42.92 40.14 2cr0 s ASP 109 CO 0.00 -2.44 1.12 -2.16 0.68 0.00 0.00 175.17 172.38 2cr0 s PRO 110 N -4.87 3.18 0.80 2.11 0.04 -1.26 -4.90 135.00 130.10 2cr0 s PRO 110 Ca 0.63 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 2cr0 s PRO 110 Cb -0.18 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.44 2cr0 s PRO 110 CO 0.57 -0.97 1.10 -1.21 0.04 0.00 0.00 177.00 176.53 2cr0 s GLU 111 N -3.54 2.09 -0.06 4.56 2.02 -1.26 -4.78 118.70 117.73 2cr0 s GLU 111 Ca 0.71 0.56 -0.07 0.00 0.02 0.00 0.00 54.97 56.19 2cr0 s GLU 111 Cb -0.23 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 32.09 2cr0 s GLU 111 CO 0.31 -1.60 0.18 0.96 0.02 0.00 0.00 175.26 175.13 2cr0 s ILE 112 N -3.21 0.01 0.15 -1.63 -4.36 -0.93 -5.04 121.20 106.20 2cr0 s ILE 112 Ca 0.61 -0.10 -0.32 0.00 -0.26 0.00 0.00 60.65 60.58 2cr0 s ILE 112 Cb -0.14 -0.29 -0.11 0.00 1.25 0.00 0.00 42.46 43.17 2cr0 s ILE 112 CO 0.54 -0.06 1.79 -3.20 0.24 0.00 0.00 174.94 174.25 2cr0 n ASN 113 N 2.74 4.00 -4.83 4.36 2.85 -1.26 -4.79 115.26 118.34 2cr0 n ASN 113 Ca -0.14 1.01 -0.37 0.00 -0.11 0.00 0.00 54.58 54.98 2cr0 n ASN 113 Cb 0.58 -1.55 -0.06 0.00 1.24 0.00 0.00 39.78 39.99 2cr0 n ASN 113 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2cr0 s THR 114 N 2.15 5.37 -0.23 -0.44 -4.23 -1.26 -5.05 115.64 111.94 2cr0 s THR 114 Ca 0.80 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2cr0 s THR 114 Cb -0.50 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 69.89 2cr0 s THR 114 CO 0.36 0.55 -0.05 -0.75 -0.54 0.00 0.00 174.62 174.19 2cr0 s LYS 115 N -0.63 1.53 1.10 3.99 2.47 -1.26 -5.13 119.74 121.81 2cr0 s LYS 115 Ca 0.16 -0.93 -0.13 0.00 -1.56 0.00 0.00 55.97 53.51 2cr0 s LYS 115 Cb -0.13 -2.54 0.25 0.00 -1.46 0.00 0.00 37.83 33.95 2cr0 s LYS 115 CO 0.05 -0.60 1.06 0.45 0.16 0.00 0.00 175.35 176.47 2cr0 s SER 116 N 1.44 1.66 0.75 1.43 0.15 -1.26 -4.96 113.70 112.91 2cr0 s SER 116 Ca -0.05 1.32 -0.15 0.00 0.70 0.00 0.00 55.95 57.77 2cr0 s SER 116 Cb -0.19 -2.06 0.02 0.00 -1.71 0.00 0.00 66.02 62.09 2cr0 s SER 116 CO -0.06 -3.75 0.97 0.61 1.20 0.00 0.00 173.24 172.20 2cr0 n GLY 117 N -0.11 -0.47 3.77 9.45 0.00 -1.26 -4.94 105.19 111.62 2cr0 n GLY 117 Ca 0.04 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 2cr0 n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr0 s PRO 118 N -3.47 4.16 -1.14 1.61 0.04 -1.26 -3.31 135.00 131.63 2cr0 s PRO 118 Ca 0.72 1.93 -0.15 0.00 0.04 0.00 0.00 61.00 63.55 2cr0 s PRO 118 Cb -0.33 -2.81 0.15 0.00 0.04 0.00 0.00 34.50 31.54 2cr0 s PRO 118 CO 0.51 -0.25 0.36 0.43 0.04 0.00 0.00 177.00 178.09 2cr0 n SER 119 N 0.33 -1.23 -4.57 6.66 7.64 -1.26 -4.74 113.62 116.45 2cr0 n SER 119 Ca 0.03 -0.69 -0.40 0.00 1.01 0.00 0.00 58.87 58.81 2cr0 n SER 119 Cb 0.45 -1.09 -0.03 0.00 -1.01 0.00 0.00 64.21 62.53 2cr0 n SER 119 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr0 s SER 120 N -2.44 5.67 0.00 6.43 0.01 -1.21 -5.30 113.70 116.86 2cr0 s SER 120 Ca 0.51 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2cr0 s SER 120 Cb -0.30 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.40 2cr0 s SER 120 CO 0.62 -2.04 0.00 0.61 0.41 0.00 0.00 173.24 172.84