#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 5.49 -2.16 1.61 2.88 -1.26 -4.89 113.62 115.29 2cr0 n SER 2 Ca 0.00 -3.76 -0.12 0.00 -1.33 0.00 0.00 58.87 53.66 2cr0 n SER 2 Cb 0.00 -0.51 0.04 0.00 -0.75 0.00 0.00 64.21 62.99 2cr0 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cr0 n SER 3 N -0.69 -4.03 -3.57 -3.46 2.88 -1.26 -5.03 113.62 98.46 2cr0 n SER 3 Ca 0.47 -0.29 -0.21 0.00 -1.33 0.00 0.00 58.87 57.51 2cr0 n SER 3 Cb 0.82 -2.92 -0.15 0.00 -0.75 0.00 0.00 64.21 61.21 2cr0 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr0 s GLY 4 N -3.24 0.13 -0.73 0.46 0.00 -1.26 -5.08 107.32 97.60 2cr0 s GLY 4 Ca 0.27 0.13 -0.34 0.00 0.00 0.00 0.00 44.72 44.78 2cr0 s GLY 4 CO 0.39 1.90 2.47 -1.26 0.00 0.00 0.00 173.10 176.60 2cr0 n SER 5 N 5.31 0.93 -3.90 1.64 2.88 -1.26 -4.89 113.62 114.33 2cr0 n SER 5 Ca -0.06 0.23 -0.18 0.00 -1.33 0.00 0.00 58.87 57.53 2cr0 n SER 5 Cb 0.49 -1.06 -0.16 0.00 -0.75 0.00 0.00 64.21 62.74 2cr0 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cr0 s SER 6 N 8.55 0.73 0.00 -3.46 1.04 -1.26 -4.87 113.70 114.43 2cr0 s SER 6 Ca 1.23 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2cr0 s SER 6 Cb -1.11 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 64.73 2cr0 s SER 6 CO 0.50 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.30 2cr0 n GLY 7 N 3.70 0.00 3.61 7.32 0.00 -1.26 -4.99 105.19 113.57 2cr0 n GLY 7 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 2cr0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr0 s LYS 8 N 0.00 2.24 1.26 1.61 1.02 -1.26 -5.01 119.74 119.60 2cr0 s LYS 8 Ca 0.00 -1.09 -0.21 0.00 0.02 0.00 0.00 55.97 54.68 2cr0 s LYS 8 Cb 0.00 -2.31 0.31 0.00 -0.52 0.00 0.00 37.83 35.31 2cr0 s LYS 8 CO 0.00 0.48 1.11 -1.25 -0.92 0.00 0.00 175.35 174.77 2cr0 s PRO 9 N -2.61 -1.66 0.33 -1.68 0.04 -1.26 0.21 135.00 128.37 2cr0 s PRO 9 Ca 0.25 -0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.09 2cr0 s PRO 9 Cb -0.10 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.87 2cr0 s PRO 9 CO 0.16 -3.97 0.10 -1.71 0.04 0.00 0.00 177.00 171.63 2cr0 n ASN 10 N -4.91 1.36 0.21 6.66 5.15 -0.77 -2.17 115.26 120.79 2cr0 n ASN 10 Ca 0.15 -2.71 -0.15 0.00 -0.60 0.00 0.00 54.58 51.28 2cr0 n ASN 10 Cb 0.60 0.76 -0.08 0.00 -0.53 0.00 0.00 39.78 40.53 2cr0 n ASN 10 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2cr0 h LEU 11 N 0.00 -0.42 -5.21 1.20 4.07 -1.91 -3.11 115.31 109.94 2cr0 h LEU 11 Ca -0.26 0.02 -0.64 0.00 0.08 0.00 0.00 57.88 57.08 2cr0 h LEU 11 Cb 0.96 0.11 -0.12 0.00 1.08 0.00 0.00 40.66 42.69 2cr0 h LEU 11 CO 0.41 -0.29 1.87 0.61 -1.08 0.00 0.00 178.44 179.96 2cr0 n GLY 12 N -1.30 4.79 3.80 0.83 0.00 -1.26 -4.71 105.19 107.33 2cr0 n GLY 12 Ca -0.10 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 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 1.70 -2.95 0.00 1.61 3.02 -1.17 -0.33 115.26 117.14 2cr0 n ASN 13 Ca 0.59 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2cr0 n ASN 13 Cb 0.36 -2.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.06 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 -1.15 1.95 3.15 7.41 0.00 -1.25 -4.45 105.19 110.84 2cr0 n GLY 14 Ca 0.05 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.73 -0.87 -0.43 4.61 0.00 -0.95 -1.85 121.76 119.54 2cr0 s ALA 15 Ca 0.00 1.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.96 2cr0 s ALA 15 Cb 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 22.03 2cr0 s ALA 15 CO 0.00 -0.62 0.91 0.34 0.00 0.00 0.00 175.76 176.39 2cr0 s ASP 16 N 2.30 6.54 0.16 0.00 2.15 0.13 -3.60 116.67 124.35 2cr0 s ASP 16 Ca -0.02 0.24 0.08 0.00 0.43 0.00 0.00 52.55 53.28 2cr0 s ASP 16 Cb -0.11 -2.45 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 2cr0 s ASP 16 CO -0.11 -0.97 -0.08 -0.76 -0.17 0.00 0.00 175.17 173.08 2cr0 s LEU 17 N 3.61 3.06 0.54 -1.34 1.43 -0.94 -4.17 118.68 120.87 2cr0 s LEU 17 Ca 0.36 -0.49 0.32 0.00 -1.03 0.00 0.00 54.13 53.30 2cr0 s LEU 17 Cb -0.11 -1.77 1.34 0.00 0.03 0.00 0.00 46.19 45.69 2cr0 s LEU 17 CO 0.24 0.12 1.98 1.55 0.23 0.00 0.00 176.35 180.46 2cr0 h PRO 18 N 3.05 0.00 0.06 1.29 0.13 -1.96 -3.04 132.00 131.53 2cr0 h PRO 18 Ca -0.47 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.33 2cr0 h PRO 18 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2cr0 h PRO 18 CO 0.54 0.05 -1.82 -0.91 -0.23 0.00 0.00 178.00 175.63 2cr0 h ASN 19 N 0.00 0.21 -4.65 1.44 4.21 -1.98 -3.49 115.58 111.31 2cr0 h ASN 19 Ca -0.00 -0.46 0.15 0.00 1.21 0.00 0.00 56.30 57.20 2cr0 h ASN 19 Cb 0.52 -0.07 -0.15 0.00 -1.12 0.00 0.00 38.32 37.50 2cr0 h ASN 19 CO 0.01 1.41 0.57 -0.72 -1.29 0.00 0.00 177.43 177.40 2cr0 s TYR 20 N -2.58 -0.27 -0.09 1.19 -0.85 -1.15 -4.33 117.35 109.26 2cr0 s TYR 20 Ca -0.13 0.14 0.04 0.00 -0.52 0.00 0.00 57.07 56.61 2cr0 s TYR 20 Cb 0.07 0.54 -0.00 0.00 0.38 0.00 0.00 41.96 42.95 2cr0 s TYR 20 CO 0.80 -0.49 -0.23 -0.98 -1.52 0.00 0.00 175.55 173.13 2cr0 s ARG 21 N -2.97 2.87 0.01 -3.49 1.70 -0.63 -2.21 118.95 114.24 2cr0 s ARG 21 Ca 0.07 -0.86 0.01 0.00 -0.47 0.00 0.00 55.73 54.48 2cr0 s ARG 21 Cb -0.01 -2.22 -0.01 0.00 -0.57 0.00 0.00 34.95 32.14 2cr0 s ARG 21 CO -0.07 0.21 -0.04 1.67 -1.08 0.00 0.00 175.30 175.99 2cr0 s TRP 22 N 0.26 0.33 0.49 5.89 1.48 -1.24 -1.01 118.94 125.14 2cr0 s TRP 22 Ca -0.16 -0.26 0.03 0.00 -1.06 0.00 0.00 56.10 54.66 2cr0 s TRP 22 Cb -0.17 -0.21 -0.02 0.00 -1.16 0.00 0.00 33.47 31.91 2cr0 s TRP 22 CO 0.08 -0.07 0.09 0.95 -4.06 0.00 0.00 176.95 173.94 2cr0 s THR 23 N -0.69 1.50 -0.17 0.66 -4.23 0.15 -2.25 115.64 110.62 2cr0 s THR 23 Ca -0.06 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.42 2cr0 s THR 23 Cb -0.05 -2.39 0.04 0.00 1.34 0.00 0.00 72.50 71.44 2cr0 s THR 23 CO -0.00 0.00 0.44 0.00 -0.54 0.00 0.00 174.62 174.52 2cr0 s GLN 24 N -3.92 0.51 0.34 3.99 -2.07 0.55 -2.08 119.66 116.99 2cr0 s GLN 24 Ca 0.19 0.63 0.05 0.00 -1.82 0.00 0.00 55.36 54.41 2cr0 s GLN 24 Cb 0.03 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.15 2cr0 s GLN 24 CO 0.10 -0.07 0.20 0.95 -1.32 0.00 0.00 175.29 175.16 2cr0 s THR 25 N 0.30 0.24 -1.21 3.63 -4.23 -0.66 -4.26 115.64 109.44 2cr0 s THR 25 Ca -0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2cr0 s THR 25 Cb -0.03 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.40 2cr0 s THR 25 CO -0.00 0.00 0.67 0.18 -0.54 0.00 0.00 174.62 174.93 2cr0 n LEU 26 N -0.69 0.98 0.00 4.79 4.77 -1.26 -3.61 117.00 121.97 2cr0 n LEU 26 Ca 0.02 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2cr0 n LEU 26 Cb 0.64 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2cr0 n LEU 26 CO 0.34 0.21 -0.33 0.00 -1.33 0.00 0.00 177.39 176.28 2cr0 n ALA 27 N -0.07 2.43 -3.88 -1.18 0.00 -1.26 -4.15 120.51 112.40 2cr0 n ALA 27 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2cr0 n ALA 27 Cb 0.23 0.33 0.02 0.00 0.00 0.00 0.00 19.45 20.03 2cr0 n ALA 27 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2cr0 n GLU 28 N -2.44 0.63 -4.24 0.00 0.28 -1.24 -3.93 120.64 109.71 2cr0 n GLU 28 Ca 0.00 -1.44 -0.24 0.00 -0.16 0.00 0.00 57.16 55.32 2cr0 n GLU 28 Cb 0.33 1.96 -0.07 0.00 1.43 0.00 0.00 31.44 35.09 2cr0 n GLU 28 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2cr0 s LEU 29 N 0.00 3.35 -0.11 -1.84 2.96 0.34 -1.66 118.68 121.72 2cr0 s LEU 29 Ca 0.23 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 2cr0 s LEU 29 Cb -0.03 -1.91 0.05 0.00 0.50 0.00 0.00 46.19 44.80 2cr0 s LEU 29 CO 0.05 0.01 0.08 -1.81 -1.32 0.00 0.00 176.35 173.36 2cr0 s ASP 30 N -3.53 1.73 -0.04 3.68 1.11 -0.88 -2.61 116.67 116.12 2cr0 s ASP 30 Ca 0.31 -0.26 0.03 0.00 0.18 0.00 0.00 52.55 52.80 2cr0 s ASP 30 Cb -0.07 -0.18 -0.03 0.00 1.07 0.00 0.00 42.92 43.70 2cr0 s ASP 30 CO 0.21 -0.30 -0.11 -0.22 1.18 0.00 0.00 175.17 175.93 2cr0 s LEU 31 N 2.16 2.95 -0.07 1.23 2.96 -1.20 0.33 118.68 127.05 2cr0 s LEU 31 Ca 0.04 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 2cr0 s LEU 31 Cb -0.14 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.94 2cr0 s LEU 31 CO -0.06 0.34 0.02 0.00 -1.32 0.00 0.00 176.35 175.33 2cr0 s ALA 32 N -0.81 0.57 -0.42 5.97 0.00 -0.18 -1.62 121.76 125.28 2cr0 s ALA 32 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 2cr0 s ALA 32 Cb -0.11 -0.72 0.11 0.00 0.00 0.00 0.00 23.12 22.40 2cr0 s ALA 32 CO 0.02 -0.49 0.22 0.08 0.00 0.00 0.00 175.76 175.59 2cr0 s VAL 33 N 2.03 3.39 -0.05 0.00 1.01 -1.14 -1.60 120.40 124.04 2cr0 s VAL 33 Ca 0.05 -2.03 -0.30 0.00 0.00 0.00 0.00 61.98 59.70 2cr0 s VAL 33 Cb -0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2cr0 s VAL 33 CO -0.05 -0.70 1.49 -2.16 0.00 0.00 0.00 175.10 173.68 2cr0 s PRO 34 N 1.16 4.23 -0.20 2.72 0.04 -1.26 -2.29 135.00 139.39 2cr0 s PRO 34 Ca 0.08 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 2cr0 s PRO 34 Cb -0.23 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 2cr0 s PRO 34 CO -0.04 -0.72 -0.04 -0.06 0.04 0.00 0.00 177.00 176.17 2cr0 s PHE 35 N 3.31 2.96 -0.67 0.56 0.08 0.48 -4.96 117.98 119.73 2cr0 s PHE 35 Ca 0.66 -0.79 -0.25 0.00 0.12 0.00 0.00 56.93 56.68 2cr0 s PHE 35 Cb -0.31 -2.07 -0.21 0.00 -0.57 0.00 0.00 43.02 39.87 2cr0 s PHE 35 CO 0.26 -0.44 1.86 2.89 -0.10 0.00 0.00 175.22 179.69 2cr0 n ARG 36 N 4.51 1.05 -4.39 0.44 1.85 -1.26 -4.69 116.66 114.17 2cr0 n ARG 36 Ca -0.18 -1.73 -0.30 0.00 -1.00 0.00 0.00 57.85 54.64 2cr0 n ARG 36 Cb 0.51 -3.02 -0.11 0.00 -1.05 0.00 0.00 32.46 28.79 2cr0 n ARG 36 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2cr0 s VAL 37 N 7.35 2.92 -0.28 8.89 -7.23 -1.26 -5.03 120.40 125.76 2cr0 s VAL 37 Ca 0.64 -1.37 0.11 0.00 -1.81 0.00 0.00 61.98 59.54 2cr0 s VAL 37 Cb 0.11 -2.31 0.56 0.00 0.56 0.00 0.00 36.38 35.29 2cr0 s VAL 37 CO 0.18 0.17 1.55 -1.20 -0.31 0.00 0.00 175.10 175.49 2cr0 n SER 38 N 1.00 3.28 -2.59 4.85 7.64 -1.26 -4.91 113.62 121.63 2cr0 n SER 38 Ca -0.15 -3.49 -0.11 0.00 1.01 0.00 0.00 58.87 56.13 2cr0 n SER 38 Cb 0.52 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2cr0 n SER 38 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2cr0 n PHE 39 N -0.85 -1.56 -3.06 1.43 -1.74 -1.26 -5.14 117.46 105.27 2cr0 n PHE 39 Ca 0.34 -1.81 -0.40 0.00 -0.56 0.00 0.00 57.45 55.03 2cr0 n PHE 39 Cb 1.12 0.56 -0.05 0.00 1.52 0.00 0.00 39.48 42.62 2cr0 n PHE 39 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2cr0 s ARG 40 N -2.47 4.37 0.15 3.97 3.52 -1.26 -4.49 118.95 122.74 2cr0 s ARG 40 Ca 0.20 0.81 -0.25 0.00 -0.13 0.00 0.00 55.73 56.37 2cr0 s ARG 40 Cb -0.02 -3.49 -0.08 0.00 -1.56 0.00 0.00 34.95 29.81 2cr0 s ARG 40 CO 0.15 -0.03 0.77 -0.51 -0.81 0.00 0.00 175.30 174.86 2cr0 s LEU 41 N 1.16 4.58 0.02 -0.88 1.43 -1.18 -5.02 118.68 118.79 2cr0 s LEU 41 Ca 0.35 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 55.07 2cr0 s LEU 41 Cb -0.17 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 2cr0 s LEU 41 CO 0.15 0.19 0.08 -0.54 0.23 0.00 0.00 176.35 176.47 2cr0 s LYS 42 N -1.04 3.00 0.41 1.70 -0.14 -1.26 -4.86 119.74 117.56 2cr0 s LYS 42 Ca 0.36 -0.56 0.24 0.00 -1.36 0.00 0.00 55.97 54.65 2cr0 s LYS 42 Cb -0.23 -2.81 1.28 0.00 -1.68 0.00 0.00 37.83 34.39 2cr0 s LYS 42 CO 0.26 0.62 1.68 0.78 -0.76 0.00 0.00 175.35 177.92 2cr0 h GLY 43 N 3.83 1.39 1.51 -3.33 0.00 -1.97 0.63 103.07 105.12 2cr0 h GLY 43 Ca -0.48 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 46.45 2cr0 h GLY 43 CO 0.64 -0.33 -1.00 0.07 0.00 0.00 0.00 176.54 175.91 2cr0 h LYS 44 N 0.21 0.43 -0.97 4.80 2.10 -2.03 -3.24 116.57 117.86 2cr0 h LYS 44 Ca 0.74 -0.49 0.09 0.00 -2.00 0.00 0.00 60.65 58.99 2cr0 h LYS 44 Cb 2.11 0.15 -0.07 0.00 -0.90 0.00 0.00 32.23 33.51 2cr0 h LYS 44 CO -0.41 1.15 0.62 -0.44 -2.00 0.00 0.00 179.45 178.38 2cr0 h ASP 45 N 0.23 0.94 -2.45 7.07 3.32 -0.12 -3.43 116.42 121.98 2cr0 h ASP 45 Ca -0.10 0.03 -0.45 0.00 0.02 0.00 0.00 57.03 56.53 2cr0 h ASP 45 Cb 1.65 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 41.05 2cr0 h ASP 45 CO 0.18 0.55 -0.18 0.68 -1.72 0.00 0.00 179.24 178.75 2cr0 s VAL 46 N -5.95 4.11 -0.20 -1.35 -7.23 -0.89 0.18 120.40 109.06 2cr0 s VAL 46 Ca -0.12 -0.66 -0.03 0.00 -1.81 0.00 0.00 61.98 59.36 2cr0 s VAL 46 Cb 0.21 -3.49 0.07 0.00 0.56 0.00 0.00 36.38 33.73 2cr0 s VAL 46 CO 0.81 -0.29 0.06 -0.69 -0.31 0.00 0.00 175.10 174.68 2cr0 s VAL 47 N -2.42 0.32 -0.12 1.32 1.01 0.39 -4.56 120.40 116.34 2cr0 s VAL 47 Ca 0.47 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2cr0 s VAL 47 Cb -0.10 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2cr0 s VAL 47 CO 0.36 -0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 174.36 2cr0 s VAL 48 N 1.95 1.23 -0.39 2.92 1.01 -1.26 -1.58 120.40 124.27 2cr0 s VAL 48 Ca 0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 2cr0 s VAL 48 Cb -0.17 -1.20 0.09 0.00 0.00 0.00 0.00 36.38 35.10 2cr0 s VAL 48 CO -0.11 0.40 0.19 -0.62 0.00 0.00 0.00 175.10 174.95 2cr0 s ASP 49 N 1.56 5.34 -0.17 3.32 2.15 -0.55 -4.93 116.67 123.39 2cr0 s ASP 49 Ca 0.04 -1.67 -0.16 0.00 0.43 0.00 0.00 52.55 51.19 2cr0 s ASP 49 Cb -0.13 -1.87 -0.04 0.00 -0.30 0.00 0.00 42.92 40.58 2cr0 s ASP 49 CO -0.08 -0.49 0.37 -0.63 -0.17 0.00 0.00 175.17 174.17 2cr0 s ILE 50 N 1.28 5.24 0.42 4.11 1.01 -1.26 -0.78 121.20 131.22 2cr0 s ILE 50 Ca 0.03 0.70 0.04 0.00 0.00 0.00 0.00 60.65 61.43 2cr0 s ILE 50 Cb -0.22 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2cr0 s ILE 50 CO -0.01 0.32 0.15 -1.10 0.00 0.00 0.00 174.94 174.31 2cr0 s GLN 51 N 0.82 1.98 0.05 2.79 -0.21 0.19 -5.00 119.66 120.28 2cr0 s GLN 51 Ca 0.20 -2.22 -0.26 0.00 0.02 0.00 0.00 55.36 53.09 2cr0 s GLN 51 Cb -0.14 -0.51 -0.17 0.00 1.00 0.00 0.00 33.01 33.19 2cr0 s GLN 51 CO 0.07 -0.54 1.54 -0.09 -2.12 0.00 0.00 175.29 174.14 2cr0 h ARG 52 N 1.74 -0.31 -0.29 2.91 9.65 -1.98 -3.33 114.38 122.77 2cr0 h ARG 52 Ca -0.33 0.02 -0.24 0.00 -1.10 0.00 0.00 59.98 58.33 2cr0 h ARG 52 Cb 1.27 0.07 -0.25 0.00 -1.39 0.00 0.00 29.97 29.67 2cr0 h ARG 52 CO 0.53 -0.11 -0.77 -2.13 2.80 0.00 0.00 179.97 180.29 2cr0 n ARG 53 N -5.17 1.99 -3.63 0.20 0.63 -1.26 -1.17 116.66 108.25 2cr0 n ARG 53 Ca -0.09 -3.39 -0.15 0.00 -0.92 0.00 0.00 57.85 53.30 2cr0 n ARG 53 Cb 0.19 -1.56 -0.07 0.00 0.45 0.00 0.00 32.46 31.47 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 -2.90 -0.68 0.01 -0.14 2.46 -1.25 -2.30 115.29 110.50 2cr0 s HIS 54 Ca 0.40 1.53 -0.02 0.00 0.47 0.00 0.00 55.06 57.44 2cr0 s HIS 54 Cb 0.38 0.28 -0.01 0.00 -0.13 0.00 0.00 32.58 33.09 2cr0 s HIS 54 CO -0.05 -0.41 0.01 -1.17 -2.47 0.00 0.00 174.74 170.66 2cr0 s LEU 55 N -0.10 2.04 0.00 8.88 2.96 -1.26 0.53 118.68 131.74 2cr0 s LEU 55 Ca -0.03 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 2cr0 s LEU 55 Cb -0.04 0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.87 2cr0 s LEU 55 CO 0.03 -0.26 -0.00 -0.60 -1.32 0.00 0.00 176.35 174.19 2cr0 s ARG 56 N -1.19 0.11 -0.11 1.98 3.52 0.04 -3.68 118.95 119.63 2cr0 s ARG 56 Ca -0.13 -0.20 -0.10 0.00 -0.13 0.00 0.00 55.73 55.17 2cr0 s ARG 56 Cb -0.08 0.04 0.03 0.00 -1.56 0.00 0.00 34.95 33.38 2cr0 s ARG 56 CO -0.00 -0.02 0.30 0.08 -0.81 0.00 0.00 175.30 174.85 2cr0 s VAL 57 N -0.49 -0.00 -2.30 7.11 1.01 -0.30 -1.49 120.40 123.93 2cr0 s VAL 57 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2cr0 s VAL 57 Cb -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2cr0 s VAL 57 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2cr0 n GLY 58 N 2.96 -1.14 3.37 4.51 0.00 -0.61 -0.48 105.19 113.80 2cr0 n GLY 58 Ca -0.13 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 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 2.40 0.03 0.99 1.43 -1.26 -0.46 118.68 121.80 2cr0 s LEU 59 Ca 0.00 -0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 2cr0 s LEU 59 Cb 0.00 -1.46 -0.13 0.00 0.03 0.00 0.00 46.19 44.63 2cr0 s LEU 59 CO 0.00 0.30 0.64 1.17 0.23 0.00 0.00 176.35 178.69 2cr0 n LYS 60 N 2.62 0.00 0.00 1.70 0.00 0.13 -0.40 118.16 122.21 2cr0 n LYS 60 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.14 2cr0 n LYS 60 Cb 0.52 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 34.61 2cr0 n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2cr0 n GLY 61 N 1.09 1.22 3.53 3.14 0.00 -1.26 -4.92 105.19 107.99 2cr0 n GLY 61 Ca 0.13 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.87 -2.26 1.61 6.02 0.47 -4.95 117.38 117.40 2cr0 n GLN 62 Ca 0.00 -0.20 -0.37 0.00 -0.01 0.00 0.00 57.00 56.42 2cr0 n GLN 62 Cb 0.00 -2.14 -0.01 0.00 1.02 0.00 0.00 30.24 29.11 2cr0 n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2cr0 s PRO 63 N -4.22 3.70 -0.63 -1.09 0.04 -1.26 -4.43 135.00 127.10 2cr0 s PRO 63 Ca 0.64 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 63.16 2cr0 s PRO 63 Cb -0.22 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 2cr0 s PRO 63 CO 0.63 -0.60 1.87 -1.25 0.04 0.00 0.00 177.00 177.68 2cr0 s PRO 64 N -2.79 2.62 0.55 0.56 0.04 -1.26 -4.37 135.00 130.35 2cr0 s PRO 64 Ca 0.65 0.55 0.35 0.00 0.04 0.00 0.00 61.00 62.59 2cr0 s PRO 64 Cb -0.28 -4.43 1.51 0.00 0.04 0.00 0.00 34.50 31.34 2cr0 s PRO 64 CO 0.33 -2.77 1.79 -0.24 0.04 0.00 0.00 177.00 176.16 2cr0 h VAL 65 N 6.91 0.38 -3.29 -0.36 3.04 -1.14 -3.35 116.25 118.45 2cr0 h VAL 65 Ca -0.24 0.00 -0.53 0.00 -1.01 0.00 0.00 66.70 64.92 2cr0 h VAL 65 Cb 1.15 0.42 -0.38 0.00 -2.01 0.00 0.00 31.29 30.47 2cr0 h VAL 65 CO 1.22 0.00 -0.79 -0.69 -1.01 0.00 0.00 177.57 176.30 2cr0 s VAL 66 N -4.88 0.92 -0.27 1.51 1.01 -0.79 -4.99 120.40 112.91 2cr0 s VAL 66 Ca -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 2cr0 s VAL 66 Cb 0.21 -1.11 0.15 0.00 0.00 0.00 0.00 36.38 35.64 2cr0 s VAL 66 CO 0.75 0.14 0.43 1.51 0.00 0.00 0.00 175.10 177.93 2cr0 s ASP 67 N 1.72 -0.03 0.00 3.32 -4.77 -1.26 -1.15 116.67 114.51 2cr0 s ASP 67 Ca 0.02 0.12 0.00 0.00 -3.30 0.00 0.00 52.55 49.39 2cr0 s ASP 67 Cb -0.15 1.30 0.00 0.00 -1.09 0.00 0.00 42.92 42.99 2cr0 s ASP 67 CO -0.07 -0.31 0.00 0.61 0.70 0.00 0.00 175.17 176.09 2cr0 n GLY 68 N 5.37 1.10 3.67 2.12 0.00 -1.24 -4.98 105.19 111.23 2cr0 n GLY 68 Ca -0.02 -0.20 -0.46 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.03 2.05 -2.24 1.61 2.13 -1.26 -3.99 120.64 118.91 2cr0 n GLU 69 Ca 0.00 0.73 -0.36 0.00 0.66 0.00 0.00 57.16 58.19 2cr0 n GLU 69 Cb 0.00 -2.45 -0.00 0.00 0.27 0.00 0.00 31.44 29.26 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 0.55 3.89 0.27 4.31 1.43 -0.97 -1.35 118.68 126.81 2cr0 s LEU 70 Ca 0.75 2.27 -0.01 0.00 -1.03 0.00 0.00 54.13 56.11 2cr0 s LEU 70 Cb -0.68 -4.40 0.47 0.00 0.03 0.00 0.00 46.19 41.61 2cr0 s LEU 70 CO 0.43 -1.08 1.86 0.22 0.23 0.00 0.00 176.35 178.01 2cr0 h TYR 71 N 1.63 1.17 -4.34 0.29 3.20 -1.79 -3.45 116.97 113.69 2cr0 h TYR 71 Ca -0.50 0.03 -0.38 0.00 3.14 0.00 0.00 58.73 61.03 2cr0 h TYR 71 Cb 1.26 -0.38 -0.10 0.00 1.54 0.00 0.00 36.73 39.05 2cr0 h TYR 71 CO 0.52 0.54 -0.34 0.09 -1.64 0.00 0.00 178.16 177.33 2cr0 n ASN 72 N -4.56 -0.81 -4.81 -2.11 4.13 -1.26 -5.10 115.26 100.74 2cr0 n ASN 72 Ca 0.17 -2.89 -0.33 0.00 1.68 0.00 0.00 54.58 53.22 2cr0 n ASN 72 Cb 0.26 1.73 -0.00 0.00 -1.54 0.00 0.00 39.78 40.23 2cr0 n ASN 72 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2cr0 s GLU 73 N -3.07 3.50 -0.12 3.52 2.02 -1.26 -4.70 118.70 118.59 2cr0 s GLU 73 Ca 0.33 1.15 -0.05 0.00 0.02 0.00 0.00 54.97 56.42 2cr0 s GLU 73 Cb 0.01 -2.06 0.06 0.00 0.10 0.00 0.00 34.13 32.24 2cr0 s GLU 73 CO 0.23 -0.65 0.26 0.14 0.02 0.00 0.00 175.26 175.26 2cr0 s VAL 74 N -2.47 -0.30 -0.90 2.63 -7.23 -0.32 -3.58 120.40 108.24 2cr0 s VAL 74 Ca 0.63 0.24 -0.20 0.00 -1.81 0.00 0.00 61.98 60.84 2cr0 s VAL 74 Cb -0.15 -0.42 -0.24 0.00 0.56 0.00 0.00 36.38 36.13 2cr0 s VAL 74 CO 0.34 0.10 2.36 1.17 -0.31 0.00 0.00 175.10 178.77 2cr0 n LYS 75 N 5.00 0.23 -0.05 4.82 4.81 0.80 -4.49 118.16 129.27 2cr0 n LYS 75 Ca -0.12 -0.18 -0.12 0.00 -0.87 0.00 0.00 58.31 57.03 2cr0 n LYS 75 Cb 0.51 -1.94 0.02 0.00 0.02 0.00 0.00 35.03 33.63 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 7.46 1.29 -0.02 3.15 3.04 -1.87 0.39 116.25 129.70 2cr0 h VAL 76 Ca -0.02 -1.68 0.00 0.00 -1.01 0.00 0.00 66.70 64.00 2cr0 h VAL 76 Cb 1.16 1.59 -0.00 0.00 -2.01 0.00 0.00 31.29 32.03 2cr0 h VAL 76 CO 1.39 0.54 0.04 -0.33 -1.01 0.00 0.00 177.57 178.21 2cr0 h GLU 77 N 0.59 0.00 0.00 4.17 4.39 -1.96 -2.80 114.58 118.98 2cr0 h GLU 77 Ca 0.03 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.46 2cr0 h GLU 77 Cb 1.05 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 2cr0 h GLU 77 CO 0.10 0.00 -2.03 0.39 -1.16 0.00 0.00 179.01 176.32 2cr0 n GLU 78 N -3.33 0.60 -1.12 2.33 -0.58 -1.08 -5.02 120.64 112.44 2cr0 n GLU 78 Ca -0.03 0.09 -0.36 0.00 -0.42 0.00 0.00 57.16 56.44 2cr0 n GLU 78 Cb 0.12 -1.36 0.06 0.00 -0.57 0.00 0.00 31.44 29.68 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 -2.97 -3.08 -3.64 1.62 7.64 0.14 -4.96 113.62 108.37 2cr0 n SER 79 Ca -0.31 0.46 -0.07 0.00 1.01 0.00 0.00 58.87 59.96 2cr0 n SER 79 Cb 0.86 -1.02 -0.07 0.00 -1.01 0.00 0.00 64.21 62.97 2cr0 n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cr0 s SER 80 N -1.33 -0.28 0.44 6.43 1.04 -0.72 -4.94 113.70 114.33 2cr0 s SER 80 Ca 0.56 0.50 0.07 0.00 0.48 0.00 0.00 55.95 57.56 2cr0 s SER 80 Cb -0.31 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 2cr0 s SER 80 CO 0.67 -0.12 0.26 -1.66 0.98 0.00 0.00 173.24 173.38 2cr0 s TRP 81 N -0.06 2.44 0.26 5.02 1.48 -1.26 -0.69 118.94 126.13 2cr0 s TRP 81 Ca 0.05 -0.62 -0.20 0.00 -1.06 0.00 0.00 56.10 54.26 2cr0 s TRP 81 Cb -0.04 -1.99 0.02 0.00 -1.16 0.00 0.00 33.47 30.30 2cr0 s TRP 81 CO -0.09 0.00 0.67 -0.48 -4.06 0.00 0.00 176.95 172.99 2cr0 s LEU 82 N -4.02 -0.20 -0.22 -4.66 0.05 0.55 -4.94 118.68 105.24 2cr0 s LEU 82 Ca 0.40 -0.58 -0.10 0.00 0.05 0.00 0.00 54.13 53.90 2cr0 s LEU 82 Cb 0.01 2.57 -0.05 0.00 -2.05 0.00 0.00 46.19 46.67 2cr0 s LEU 82 CO 0.23 -1.27 0.14 -0.63 -0.55 0.00 0.00 176.35 174.26 2cr0 s ILE 83 N -3.91 5.29 -0.22 1.48 1.01 -1.26 -1.52 121.20 122.07 2cr0 s ILE 83 Ca 0.11 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 2cr0 s ILE 83 Cb -0.05 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 2cr0 s ILE 83 CO 0.05 0.39 0.07 -1.61 0.00 0.00 0.00 174.94 173.84 2cr0 s GLU 84 N 0.73 3.80 -1.03 2.79 0.41 0.83 -4.50 118.70 121.74 2cr0 s GLU 84 Ca 0.07 -0.42 -0.09 0.00 -0.41 0.00 0.00 54.97 54.13 2cr0 s GLU 84 Cb -0.12 -3.27 0.08 0.00 -1.78 0.00 0.00 34.13 29.03 2cr0 s GLU 84 CO 0.02 0.03 0.33 -0.25 -0.49 0.00 0.00 175.26 174.89 2cr0 n ASP 85 N 4.27 -2.64 -2.41 -0.19 8.00 -1.26 -0.60 116.55 121.72 2cr0 n ASP 85 Ca -0.16 -0.25 -0.00 0.00 0.71 0.00 0.00 54.79 55.08 2cr0 n ASP 85 Cb 0.52 -2.25 -0.00 0.00 -0.02 0.00 0.00 41.12 39.36 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 -0.93 -0.47 0.00 0.44 0.00 -1.26 -4.54 105.19 98.43 2cr0 n GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.43 1.77 -4.39 1.61 2.85 0.23 -3.11 118.16 114.69 2cr0 n LYS 87 Ca -0.00 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.02 2cr0 n LYS 87 Cb 0.48 -0.72 -0.11 0.00 -0.65 0.00 0.00 35.03 34.03 2cr0 n LYS 87 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2cr0 s VAL 88 N -1.42 2.08 -0.35 0.58 1.01 -0.19 -0.39 120.40 121.71 2cr0 s VAL 88 Ca 0.00 -2.09 0.03 0.00 0.00 0.00 0.00 61.98 59.92 2cr0 s VAL 88 Cb 0.00 -2.04 0.10 0.00 0.00 0.00 0.00 36.38 34.45 2cr0 s VAL 88 CO 0.00 -0.32 0.08 -0.69 0.00 0.00 0.00 175.10 174.17 2cr0 s VAL 89 N -2.17 1.96 0.18 2.92 1.01 -0.97 -0.12 120.40 123.20 2cr0 s VAL 89 Ca 0.21 -2.21 -0.19 0.00 0.00 0.00 0.00 61.98 59.78 2cr0 s VAL 89 Cb -0.05 -2.45 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 2cr0 s VAL 89 CO 0.09 -0.64 0.68 0.42 0.00 0.00 0.00 175.10 175.65 2cr0 s THR 90 N 0.96 4.62 -0.24 3.92 -4.23 -0.58 -2.88 115.64 117.21 2cr0 s THR 90 Ca 0.11 1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 61.87 2cr0 s THR 90 Cb -0.19 -3.88 0.07 0.00 1.34 0.00 0.00 72.50 69.83 2cr0 s THR 90 CO -0.11 0.32 0.02 -0.69 -0.54 0.00 0.00 174.62 173.61 2cr0 s VAL 91 N -1.39 1.05 -0.28 2.29 1.01 -0.64 -0.33 120.40 122.11 2cr0 s VAL 91 Ca 0.39 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2cr0 s VAL 91 Cb -0.18 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2cr0 s VAL 91 CO 0.21 -0.29 1.23 -2.28 0.00 0.00 0.00 175.10 173.97 2cr0 s HIS 92 N 1.59 2.86 -0.21 5.22 5.04 0.14 -3.21 115.29 126.72 2cr0 s HIS 92 Ca 0.00 1.00 -0.04 0.00 -1.54 0.00 0.00 55.06 54.48 2cr0 s HIS 92 Cb -0.18 -3.75 -0.01 0.00 0.04 0.00 0.00 32.58 28.67 2cr0 s HIS 92 CO -0.11 -1.42 -0.04 -0.51 -2.34 0.00 0.00 174.74 170.32 2cr0 s LEU 93 N 3.98 2.99 -0.27 8.88 1.43 -1.07 -1.76 118.68 132.85 2cr0 s LEU 93 Ca 0.53 -0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 2cr0 s LEU 93 Cb -0.16 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2cr0 s LEU 93 CO 0.19 0.02 0.76 -0.70 0.23 0.00 0.00 176.35 176.84 2cr0 s GLU 94 N 1.27 4.07 -0.27 1.70 2.56 -1.26 -0.51 118.70 126.27 2cr0 s GLU 94 Ca 0.03 0.69 -0.29 0.00 0.00 0.00 0.00 54.97 55.41 2cr0 s GLU 94 Cb -0.14 -3.68 -0.00 0.00 2.00 0.00 0.00 34.13 32.31 2cr0 s GLU 94 CO -0.01 -0.55 1.25 0.15 -0.56 0.00 0.00 175.26 175.54 2cr0 s LYS 95 N 2.79 4.03 0.37 4.30 1.02 -1.25 -0.14 119.74 130.85 2cr0 s LYS 95 Ca 0.31 1.33 0.18 0.00 0.02 0.00 0.00 55.97 57.82 2cr0 s LYS 95 Cb -0.15 -3.82 1.17 0.00 -0.52 0.00 0.00 37.83 34.51 2cr0 s LYS 95 CO 0.10 -0.97 1.66 0.82 -0.92 0.00 0.00 175.35 176.03 2cr0 h ILE 96 N 5.80 0.26 -3.80 2.17 1.08 -1.91 -3.29 117.51 117.81 2cr0 h ILE 96 Ca -0.25 -0.09 -0.66 0.00 -0.39 0.00 0.00 64.86 63.47 2cr0 h ILE 96 Cb 1.09 -0.02 -0.38 0.00 -3.07 0.00 0.00 36.82 34.44 2cr0 h ILE 96 CO 1.02 0.05 -0.78 0.20 -0.69 0.00 0.00 178.15 177.95 2cr0 s ASN 97 N -4.83 4.51 0.44 1.72 0.01 -1.26 -4.98 114.94 110.55 2cr0 s ASN 97 Ca -0.09 -1.60 0.10 0.00 -0.71 0.00 0.00 52.86 50.56 2cr0 s ASN 97 Cb 0.30 -1.55 0.98 0.00 0.41 0.00 0.00 41.25 41.39 2cr0 s ASN 97 CO 0.80 -0.25 2.07 0.11 -1.51 0.00 0.00 177.10 178.31 2cr0 h LYS 98 N 7.74 0.39 -1.00 -0.60 1.79 -1.77 -1.11 116.57 122.01 2cr0 h LYS 98 Ca -0.15 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.18 2cr0 h LYS 98 Cb 1.04 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 31.53 2cr0 h LYS 98 CO 0.47 0.26 0.15 -1.33 -1.08 0.00 0.00 179.45 177.92 2cr0 n MET 99 N -4.49 1.31 -4.69 3.15 2.81 -1.26 -4.02 117.12 109.93 2cr0 n MET 99 Ca 0.03 -0.70 -0.24 0.00 -1.81 0.00 0.00 57.70 54.99 2cr0 n MET 99 Cb 0.12 -1.29 -0.16 0.00 -0.71 0.00 0.00 33.22 31.19 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 -0.78 1.37 0.38 0.03 2.12 -0.42 -5.15 118.70 116.25 2cr0 s GLU 100 Ca 0.13 -0.52 0.07 0.00 0.36 0.00 0.00 54.97 55.02 2cr0 s GLU 100 Cb 0.11 -1.26 -0.01 0.00 0.26 0.00 0.00 34.13 33.23 2cr0 s GLU 100 CO 0.03 0.26 0.44 -1.58 -0.54 0.00 0.00 175.26 173.86 2cr0 s TRP 101 N -0.11 2.89 -0.01 5.30 0.52 -1.26 -4.75 118.94 121.52 2cr0 s TRP 101 Ca 0.01 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.84 2cr0 s TRP 101 Cb -0.08 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.12 2cr0 s TRP 101 CO 0.01 -0.11 -0.21 -1.58 0.02 0.00 0.00 176.95 175.07 2cr0 s TRP 102 N -2.32 1.87 -0.44 -1.98 0.52 -1.26 -5.02 118.94 110.31 2cr0 s TRP 102 Ca 0.48 -0.35 0.23 0.00 0.02 0.00 0.00 56.10 56.48 2cr0 s TRP 102 Cb -0.07 -1.20 0.13 0.00 -1.15 0.00 0.00 33.47 31.17 2cr0 s TRP 102 CO 0.30 -0.03 1.13 0.09 0.02 0.00 0.00 176.95 178.46 2cr0 n ASN 103 N 2.55 0.74 -3.64 2.95 4.13 -1.26 -4.98 115.26 115.74 2cr0 n ASN 103 Ca -0.15 0.15 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 2cr0 n ASN 103 Cb 0.53 0.43 -0.01 0.00 -1.54 0.00 0.00 39.78 39.19 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cr0 s ARG 104 N -3.27 0.64 -0.02 3.52 1.70 -1.26 -2.83 118.95 117.43 2cr0 s ARG 104 Ca 0.02 -0.33 -0.24 0.00 -0.47 0.00 0.00 55.73 54.72 2cr0 s ARG 104 Cb 0.12 0.23 -0.18 0.00 -0.57 0.00 0.00 34.95 34.55 2cr0 s ARG 104 CO 0.77 -0.29 1.15 1.25 -1.08 0.00 0.00 175.30 177.10 2cr0 h LEU 105 N 2.00 -0.16 0.00 -1.89 5.85 -1.91 -3.41 115.31 115.80 2cr0 h LEU 105 Ca -0.24 -0.35 -0.33 0.00 0.84 0.00 0.00 57.88 57.80 2cr0 h LEU 105 Cb 1.21 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 2cr0 h LEU 105 CO 0.27 0.31 -0.30 1.33 -0.34 0.00 0.00 178.44 179.71 2cr0 n VAL 106 N -4.96 0.00 0.59 1.05 0.24 -1.26 -3.54 118.33 110.45 2cr0 n VAL 106 Ca -0.09 -1.54 -0.02 0.00 -2.04 0.00 0.00 64.34 60.65 2cr0 n VAL 106 Cb 0.26 0.67 0.06 0.00 -1.47 0.00 0.00 33.84 33.35 2cr0 n VAL 106 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2cr0 n THR 107 N -0.49 1.04 0.00 3.34 -2.24 -0.46 -3.49 114.28 111.99 2cr0 n THR 107 Ca 0.01 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2cr0 n THR 107 Cb 0.39 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 2cr0 n THR 107 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2cr0 n SER 108 N 0.15 3.22 -4.76 3.42 7.64 -1.26 -4.98 113.62 117.05 2cr0 n SER 108 Ca 0.09 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.64 2cr0 n SER 108 Cb 0.60 0.16 0.05 0.00 -1.01 0.00 0.00 64.21 64.01 2cr0 n SER 108 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cr0 s ASP 109 N -3.18 4.97 0.41 6.43 1.11 -1.23 -4.99 116.67 120.18 2cr0 s ASP 109 Ca 0.00 2.04 -0.25 0.00 0.18 0.00 0.00 52.55 54.52 2cr0 s ASP 109 Cb 0.00 -2.56 -0.08 0.00 1.07 0.00 0.00 42.92 41.35 2cr0 s ASP 109 CO 0.00 -1.73 1.19 -2.16 1.18 0.00 0.00 175.17 173.65 2cr0 s PRO 110 N -4.09 4.01 0.72 8.23 0.04 -1.26 -4.90 135.00 137.76 2cr0 s PRO 110 Ca 0.68 1.87 -0.14 0.00 0.04 0.00 0.00 61.00 63.45 2cr0 s PRO 110 Cb -0.22 -2.66 0.03 0.00 0.04 0.00 0.00 34.50 31.70 2cr0 s PRO 110 CO 0.42 -0.36 1.14 -1.21 0.04 0.00 0.00 177.00 177.03 2cr0 s GLU 111 N -2.32 2.36 -0.00 4.56 2.02 -1.26 -4.82 118.70 119.23 2cr0 s GLU 111 Ca 0.58 1.49 0.02 0.00 0.02 0.00 0.00 54.97 57.07 2cr0 s GLU 111 Cb -0.31 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 2cr0 s GLU 111 CO 0.40 -1.61 -0.07 0.96 0.02 0.00 0.00 175.26 174.96 2cr0 s ILE 112 N -2.34 0.52 -0.12 -1.63 -4.36 -1.13 -4.97 121.20 107.18 2cr0 s ILE 112 Ca 0.68 -0.29 -0.33 0.00 -0.26 0.00 0.00 60.65 60.45 2cr0 s ILE 112 Cb -0.23 -0.44 -0.11 0.00 1.25 0.00 0.00 42.46 42.94 2cr0 s ILE 112 CO 0.46 0.14 1.97 -3.20 0.24 0.00 0.00 174.94 174.54 2cr0 n ASN 113 N 2.89 3.39 -4.86 4.36 2.85 -1.26 -4.88 115.26 117.75 2cr0 n ASN 113 Ca -0.13 0.82 -0.28 0.00 -0.11 0.00 0.00 54.58 54.88 2cr0 n ASN 113 Cb 0.58 -1.40 -0.05 0.00 1.24 0.00 0.00 39.78 40.15 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 4.96 4.91 -0.16 -0.44 -4.23 -1.26 -5.10 115.64 114.33 2cr0 s THR 114 Ca 0.95 -0.77 -0.25 0.00 -1.18 0.00 0.00 61.69 60.44 2cr0 s THR 114 Cb -0.64 -3.46 0.06 0.00 1.34 0.00 0.00 72.50 69.80 2cr0 s THR 114 CO 0.48 -0.01 0.65 -1.59 -0.54 0.00 0.00 174.62 173.61 2cr0 s LYS 115 N -2.87 0.87 -0.19 3.99 -2.85 -1.26 -5.09 119.74 112.34 2cr0 s LYS 115 Ca 0.32 0.60 -0.16 0.00 -1.00 0.00 0.00 55.97 55.73 2cr0 s LYS 115 Cb -0.11 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 36.00 2cr0 s LYS 115 CO 0.25 -0.19 -0.33 0.45 0.10 0.00 0.00 175.35 175.64 2cr0 n SER 116 N 1.94 1.87 -3.76 0.03 2.88 -1.26 -5.08 113.62 110.24 2cr0 n SER 116 Ca -0.16 0.32 -0.09 0.00 -1.33 0.00 0.00 58.87 57.60 2cr0 n SER 116 Cb 0.56 -0.73 -0.06 0.00 -0.75 0.00 0.00 64.21 63.23 2cr0 n SER 116 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr0 s GLY 117 N -5.03 -0.06 -0.01 0.46 0.00 -1.26 -5.07 107.32 96.35 2cr0 s GLY 117 Ca -0.30 -0.38 -0.25 0.00 0.00 0.00 0.00 44.72 43.80 2cr0 s GLY 117 CO 0.42 -0.59 1.28 -0.56 0.00 0.00 0.00 173.10 173.65 2cr0 h PRO 118 N 2.57 0.06 -5.17 2.90 0.13 -2.05 -3.48 132.00 126.97 2cr0 h PRO 118 Ca -0.34 -0.03 -0.32 0.00 -0.87 0.00 0.00 66.00 64.44 2cr0 h PRO 118 Cb 1.23 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.49 2cr0 h PRO 118 CO 0.52 0.53 -0.62 0.45 -0.23 0.00 0.00 178.00 178.65 2cr0 n SER 119 N -4.80 -4.34 -4.56 1.44 2.88 -1.26 -4.86 113.62 98.12 2cr0 n SER 119 Ca -0.08 -0.49 -0.37 0.00 -1.33 0.00 0.00 58.87 56.59 2cr0 n SER 119 Cb 0.27 -4.44 -0.03 0.00 -0.75 0.00 0.00 64.21 59.26 2cr0 n SER 119 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cr0 s SER 120 N -3.62 4.63 0.00 -3.46 0.01 -1.26 -5.32 113.70 104.68 2cr0 s SER 120 Ca 0.31 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.77 2cr0 s SER 120 Cb -0.14 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2cr0 s SER 120 CO 0.63 -2.71 0.00 0.61 0.41 0.00 0.00 173.24 172.18