#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1q h GLY 23 N 0.00 1.41 -4.46 3.38 0.00 -2.10 -3.43 103.07 97.88 2k1q h GLY 23 Ca 0.00 -0.54 -0.43 0.00 0.00 0.00 0.00 47.33 46.36 2k1q h GLY 23 CO 0.00 0.53 -0.79 0.50 0.00 0.00 0.00 176.54 176.78 2k1q s ARG 24 N -6.09 0.86 -0.01 4.80 0.52 -1.26 -5.08 118.95 112.70 2k1q s ARG 24 Ca -0.13 -0.97 0.04 0.00 -0.52 0.00 0.00 55.73 54.15 2k1q s ARG 24 Cb 0.18 -0.90 -0.01 0.00 0.52 0.00 0.00 34.95 34.73 2k1q s ARG 24 CO 0.82 0.20 -0.13 -0.51 0.02 0.00 0.00 175.30 175.71 2k1q s ASP 25 N -1.72 1.53 -0.28 0.23 1.01 -1.26 -5.08 116.67 111.09 2k1q s ASP 25 Ca -0.01 -0.24 -0.11 0.00 0.71 0.00 0.00 52.55 52.91 2k1q s ASP 25 Cb -0.10 -0.19 -0.05 0.00 1.01 0.00 0.00 42.92 43.60 2k1q s ASP 25 CO 0.02 0.16 0.17 -0.54 0.21 0.00 0.00 175.17 175.19 2k1q s LYS 26 N -0.27 3.91 -0.17 8.23 1.02 -1.26 -4.62 119.74 126.57 2k1q s LYS 26 Ca 0.04 -0.34 -0.03 0.00 0.02 0.00 0.00 55.97 55.67 2k1q s LYS 26 Cb -0.05 -3.61 -0.22 0.00 -0.52 0.00 0.00 37.83 33.42 2k1q s LYS 26 CO -0.00 -0.18 0.13 0.09 -0.92 0.00 0.00 175.35 174.47 2k1q n ASN 27 N 5.04 2.02 -3.99 2.83 3.02 -1.26 -4.99 115.26 117.93 2k1q n ASN 27 Ca -0.14 0.07 -0.09 0.00 -0.03 0.00 0.00 54.58 54.39 2k1q n ASN 27 Cb 0.52 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 2k1q n ASN 27 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2k1q s GLN 28 N -2.54 0.35 0.20 3.52 -0.21 -1.26 -5.05 119.66 114.66 2k1q s GLN 28 Ca -0.27 -0.67 -0.11 0.00 0.02 0.00 0.00 55.36 54.33 2k1q s GLN 28 Cb 0.08 0.10 0.12 0.00 1.00 0.00 0.00 33.01 34.31 2k1q s GLN 28 CO 0.70 -0.05 1.84 0.28 -2.12 0.00 0.00 175.29 175.95 2k1q h VAL 29 N 4.51 1.19 -4.48 1.09 2.07 -1.98 -3.42 116.25 115.23 2k1q h VAL 29 Ca -0.32 -0.41 -0.64 0.00 0.82 0.00 0.00 66.70 66.15 2k1q h VAL 29 Cb 1.20 0.23 -0.30 0.00 -1.52 0.00 0.00 31.29 30.90 2k1q h VAL 29 CO 0.43 0.20 -0.87 -1.61 0.02 0.00 0.00 177.57 175.74 2k1q s GLU 30 N -6.02 1.86 0.00 1.57 2.02 -1.26 -4.99 118.70 111.87 2k1q s GLU 30 Ca -0.13 -0.81 0.08 0.00 0.02 0.00 0.00 54.97 54.13 2k1q s GLU 30 Cb 0.14 -1.79 0.13 0.00 0.10 0.00 0.00 34.13 32.71 2k1q s GLU 30 CO 0.78 0.48 0.98 0.41 0.02 0.00 0.00 175.26 177.93 2k1q n GLY 31 N 2.54 0.72 0.31 -1.39 0.00 -1.26 -4.93 105.19 101.18 2k1q n GLY 31 Ca -0.16 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 2k1q n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k1q h GLU 32 N 0.30 1.09 -5.29 1.61 5.08 -1.95 -3.39 114.58 112.03 2k1q h GLU 32 Ca -0.34 -0.33 -0.66 0.00 -1.00 0.00 0.00 59.36 57.03 2k1q h GLU 32 Cb 1.50 -0.11 -0.28 0.00 0.50 0.00 0.00 28.75 30.36 2k1q h GLU 32 CO -0.11 1.05 -0.78 0.08 -1.00 0.00 0.00 179.01 178.25 2k1q s VAL 33 N -5.07 2.93 0.23 3.13 1.01 -1.26 -2.80 120.40 118.57 2k1q s VAL 33 Ca -0.12 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.26 2k1q s VAL 33 Cb 0.14 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 2k1q s VAL 33 CO 0.86 0.52 -0.17 -1.10 0.00 0.00 0.00 175.10 175.21 2k1q s GLN 34 N 0.47 1.46 -0.22 2.72 -0.21 -1.22 -5.06 119.66 117.60 2k1q s GLN 34 Ca -0.10 -1.66 -0.06 0.00 0.02 0.00 0.00 55.36 53.57 2k1q s GLN 34 Cb -0.16 -1.37 -0.02 0.00 1.00 0.00 0.00 33.01 32.46 2k1q s GLN 34 CO 0.05 0.24 0.02 0.08 -2.12 0.00 0.00 175.29 173.56 2k1q s VAL 35 N -2.79 3.98 0.23 1.09 1.01 -1.26 -3.15 120.40 119.50 2k1q s VAL 35 Ca 0.25 -0.29 0.11 0.00 0.00 0.00 0.00 61.98 62.05 2k1q s VAL 35 Cb -0.02 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2k1q s VAL 35 CO 0.10 0.40 -0.18 0.68 0.00 0.00 0.00 175.10 176.09 2k1q s VAL 36 N 1.30 2.63 0.20 2.92 -7.23 -1.06 -4.10 120.40 115.07 2k1q s VAL 36 Ca 0.04 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.13 2k1q s VAL 36 Cb -0.15 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 2k1q s VAL 36 CO 0.01 -0.24 0.06 -0.44 -0.31 0.00 0.00 175.10 174.19 2k1q s SER 37 N -3.08 0.97 0.27 4.85 0.01 -0.95 -2.13 113.70 113.65 2k1q s SER 37 Ca 0.26 -1.28 0.02 0.00 1.31 0.00 0.00 55.95 56.25 2k1q s SER 37 Cb -0.07 0.19 -0.05 0.00 0.21 0.00 0.00 66.02 66.30 2k1q s SER 37 CO 0.13 -0.68 0.10 -0.89 0.41 0.00 0.00 173.24 172.32 2k1q s THR 38 N -3.80 0.54 -0.09 1.44 2.01 0.17 -3.01 115.64 112.90 2k1q s THR 38 Ca 0.31 -2.00 0.29 0.00 0.31 0.00 0.00 61.69 60.60 2k1q s THR 38 Cb 0.07 -2.62 0.30 0.00 0.01 0.00 0.00 72.50 70.26 2k1q s THR 38 CO 0.08 0.00 1.86 0.00 -0.69 0.00 0.00 174.62 175.88 2k1q h ALA 39 N 2.35 1.00 0.00 7.40 0.00 -1.98 -3.26 119.26 124.77 2k1q h ALA 39 Ca -0.38 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2k1q h ALA 39 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2k1q h ALA 39 CO 0.60 0.00 -1.19 2.41 0.00 0.00 0.00 179.25 181.07 2k1q n THR 40 N -2.55 0.19 -4.02 0.00 -1.04 -1.26 -5.10 114.28 100.50 2k1q n THR 40 Ca -0.00 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.05 61.82 2k1q n THR 40 Cb 0.16 -0.77 -0.05 0.00 -1.82 0.00 0.00 70.33 67.84 2k1q n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1q s GLN 41 N -2.07 1.56 0.12 -2.82 0.00 -1.23 -5.18 119.66 110.04 2k1q s GLN 41 Ca -0.03 -1.32 0.05 0.00 -0.00 0.00 0.00 55.36 54.07 2k1q s GLN 41 Cb 0.01 0.46 -0.04 0.00 0.00 0.00 0.00 33.01 33.44 2k1q s GLN 41 CO 0.09 -0.64 -0.13 -1.54 0.00 0.00 0.00 175.29 173.08 2k1q s SER 42 N -3.04 1.86 0.28 12.60 1.04 -1.26 0.44 113.70 125.62 2k1q s SER 42 Ca 0.24 -0.84 -0.14 0.00 0.48 0.00 0.00 55.95 55.69 2k1q s SER 42 Cb -0.00 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.13 2k1q s SER 42 CO 0.10 -0.20 0.73 2.22 0.98 0.00 0.00 173.24 177.07 2k1q n PHE 43 N 0.41 -1.89 -4.26 5.02 1.16 -0.91 -4.63 117.46 112.36 2k1q n PHE 43 Ca -0.15 -1.42 -0.28 0.00 -1.87 0.00 0.00 57.45 53.73 2k1q n PHE 43 Cb 0.58 0.71 -0.09 0.00 -1.61 0.00 0.00 39.48 39.06 2k1q n PHE 43 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2k1q s LEU 44 N 0.00 3.02 0.15 5.98 1.43 -1.20 -2.55 118.68 125.50 2k1q s LEU 44 Ca 0.15 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 2k1q s LEU 44 Cb -0.04 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2k1q s LEU 44 CO 0.08 0.13 -0.07 0.00 0.23 0.00 0.00 176.35 176.72 2k1q s ALA 45 N -1.53 1.42 -0.02 4.21 0.00 -1.19 -2.47 121.76 122.18 2k1q s ALA 45 Ca 0.24 -1.52 0.06 0.00 0.00 0.00 0.00 51.96 50.75 2k1q s ALA 45 Cb -0.10 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2k1q s ALA 45 CO 0.15 -0.15 -0.22 -0.08 0.00 0.00 0.00 175.76 175.45 2k1q s THR 46 N -3.41 1.75 -0.52 0.00 -1.32 -1.03 -3.44 115.64 107.67 2k1q s THR 46 Ca 0.18 -0.94 -0.19 0.00 -1.21 0.00 0.00 61.69 59.53 2k1q s THR 46 Cb 0.04 -1.46 0.06 0.00 -1.51 0.00 0.00 72.50 69.63 2k1q s THR 46 CO 0.01 0.49 0.65 0.00 -2.21 0.00 0.00 174.62 173.57 2k1q s VAL 48 N 2.70 3.34 -1.46 0.00 1.01 0.12 -1.85 120.40 124.26 2k1q s VAL 48 Ca 0.15 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2k1q s VAL 48 Cb -0.20 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.83 2k1q s VAL 48 CO 0.11 0.54 0.91 -3.20 0.00 0.00 0.00 175.10 173.46 2k1q n ASN 49 N 3.10 -5.63 -1.17 3.32 2.85 -1.26 -1.38 115.26 115.10 2k1q n ASN 49 Ca -0.18 -0.52 -0.11 0.00 -0.11 0.00 0.00 54.58 53.66 2k1q n ASN 49 Cb 0.53 -4.49 -0.02 0.00 1.24 0.00 0.00 39.78 37.04 2k1q n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k1q n GLY 50 N -1.71 0.29 2.86 8.20 0.00 -1.26 -5.01 105.19 108.57 2k1q n GLY 50 Ca -0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 2k1q n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1q s VAL 51 N -2.53 -0.04 0.37 1.61 1.01 -0.48 -3.32 120.40 117.02 2k1q s VAL 51 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 2k1q s VAL 51 Cb 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 36.38 36.14 2k1q s VAL 51 CO 0.00 0.07 1.03 0.00 0.00 0.00 0.00 175.10 176.20 2k1q s TRP 53 N -1.60 1.30 0.18 0.00 0.52 0.99 -2.60 118.94 117.73 2k1q s TRP 53 Ca 0.54 -0.48 -0.22 0.00 0.02 0.00 0.00 56.10 55.97 2k1q s TRP 53 Cb -0.22 -0.72 0.08 0.00 -1.15 0.00 0.00 33.47 31.45 2k1q s TRP 53 CO 0.28 0.09 1.03 -2.37 0.02 0.00 0.00 176.95 176.00 2k1q n THR 54 N 1.10 0.00 -2.92 2.01 5.66 -0.63 -2.47 114.28 117.04 2k1q n THR 54 Ca -0.20 -0.55 -0.26 0.00 -3.05 0.00 0.00 64.05 60.00 2k1q n THR 54 Cb 0.55 0.76 -0.00 0.00 -1.55 0.00 0.00 70.33 70.08 2k1q n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k1q s VAL 55 N -2.06 4.98 0.03 1.08 0.11 -1.26 -1.98 120.40 121.29 2k1q s VAL 55 Ca 0.23 -0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.03 2k1q s VAL 55 Cb -0.03 -3.86 -0.18 0.00 -1.53 0.00 0.00 36.38 30.78 2k1q s VAL 55 CO 0.05 -0.74 1.21 0.22 -3.33 0.00 0.00 175.10 172.52 2k1q h TYR 56 N 0.43 0.59 0.00 1.54 3.20 -1.17 -3.01 116.97 118.54 2k1q h TYR 56 Ca -0.48 -0.26 -0.00 0.00 3.14 0.00 0.00 58.73 61.13 2k1q h TYR 56 Cb 1.21 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 2k1q h TYR 56 CO 0.55 1.01 -0.01 1.12 -1.64 0.00 0.00 178.16 179.19 2k1q h HIS 57 N -0.01 0.00 -0.00 -3.82 2.07 -1.96 -1.49 115.15 109.95 2k1q h HIS 57 Ca -0.03 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.44 2k1q h HIS 57 Cb 1.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.04 2k1q h HIS 57 CO 0.12 0.01 -0.23 0.78 -3.07 0.00 0.00 177.93 175.55 2k1q h GLY 58 N 0.11 0.18 -6.80 6.13 0.00 -1.95 -3.42 103.07 97.32 2k1q h GLY 58 Ca -0.00 -0.31 -0.57 0.00 0.00 0.00 0.00 47.33 46.45 2k1q h GLY 58 CO 0.00 0.27 -0.80 0.00 0.00 0.00 0.00 176.54 176.02 2k1q s ALA 59 N -3.14 1.12 -0.95 3.60 0.00 -0.80 -4.93 121.76 116.66 2k1q s ALA 59 Ca -0.16 -1.71 -0.10 0.00 0.00 0.00 0.00 51.96 49.98 2k1q s ALA 59 Cb 0.01 -1.59 -0.07 0.00 0.00 0.00 0.00 23.12 21.47 2k1q s ALA 59 CO 0.74 -1.90 2.13 0.41 0.00 0.00 0.00 175.76 177.14 2k1q n GLY 60 N 4.45 3.12 3.91 0.00 0.00 -0.63 -4.37 105.19 111.67 2k1q n GLY 60 Ca 0.04 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 2k1q n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1q n SER 61 N 5.02 -4.89 -4.91 1.61 2.88 -1.26 -4.97 113.62 107.09 2k1q n SER 61 Ca 0.48 -0.77 -0.27 0.00 -1.33 0.00 0.00 58.87 56.98 2k1q n SER 61 Cb 0.21 -3.90 -0.00 0.00 -0.75 0.00 0.00 64.21 59.77 2k1q n SER 61 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2k1q s LYS 62 N -6.62 2.24 0.33 -1.46 1.02 -1.26 -4.94 119.74 109.05 2k1q s LYS 62 Ca 0.67 -2.06 -0.29 0.00 0.02 0.00 0.00 55.97 54.32 2k1q s LYS 62 Cb -0.33 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 34.79 2k1q s LYS 62 CO 0.83 -0.65 1.38 0.99 -0.92 0.00 0.00 175.35 176.97 2k1q s THR 63 N -2.79 2.52 -0.06 2.17 2.01 -1.26 -4.81 115.64 113.42 2k1q s THR 63 Ca 0.32 0.51 0.04 0.00 0.31 0.00 0.00 61.69 62.87 2k1q s THR 63 Cb -0.02 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.16 2k1q s THR 63 CO 0.20 0.12 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.86 2k1q s LEU 64 N -1.63 1.87 -0.37 4.42 2.96 -1.25 -4.90 118.68 119.78 2k1q s LEU 64 Ca 0.52 -0.37 -0.16 0.00 -0.22 0.00 0.00 54.13 53.90 2k1q s LEU 64 Cb -0.42 -1.00 -0.00 0.00 0.50 0.00 0.00 46.19 45.27 2k1q s LEU 64 CO 0.54 0.12 0.40 0.00 -1.32 0.00 0.00 176.35 176.09 2k1q s ALA 65 N 0.25 3.47 0.50 5.97 0.00 -1.16 -1.83 121.76 128.96 2k1q s ALA 65 Ca -0.09 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.59 2k1q s ALA 65 Cb -0.14 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.08 2k1q s ALA 65 CO 0.04 -1.25 0.10 0.41 0.00 0.00 0.00 175.76 175.05 2k1q n GLY 66 N 4.99 3.38 0.25 0.00 0.00 0.18 -2.23 105.19 111.76 2k1q n GLY 66 Ca -0.08 -2.35 0.05 0.00 0.00 0.00 0.00 46.02 43.64 2k1q n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1q h PRO 67 N 0.00 0.14 0.00 1.61 0.13 -1.98 -1.49 132.00 130.42 2k1q h PRO 67 Ca -0.39 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2k1q h PRO 67 Cb 1.23 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k1q h PRO 67 CO 0.64 0.21 -0.01 1.57 -0.23 0.00 0.00 178.00 180.17 2k1q h LYS 68 N 0.14 0.00 0.00 0.86 2.10 -1.95 -3.49 116.57 114.23 2k1q h LYS 68 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2k1q h LYS 68 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2k1q h LYS 68 CO 0.01 0.01 0.00 0.41 -2.00 0.00 0.00 179.45 177.88 2k1q n GLY 69 N 0.65 0.29 3.82 0.07 0.00 -0.56 -5.05 105.19 104.41 2k1q n GLY 69 Ca 0.02 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 2k1q n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1q s PRO 70 N -0.31 4.26 -0.10 1.61 0.04 -1.26 -0.65 135.00 138.58 2k1q s PRO 70 Ca 0.00 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.01 2k1q s PRO 70 Cb 0.00 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2k1q s PRO 70 CO 0.00 0.29 -0.24 0.42 0.04 0.00 0.00 177.00 177.51 2k1q s ILE 71 N -1.69 2.06 0.24 0.56 1.01 -0.76 -4.91 121.20 117.71 2k1q s ILE 71 Ca 0.48 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 2k1q s ILE 71 Cb -0.15 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.46 2k1q s ILE 71 CO 0.20 0.56 0.66 0.42 0.00 0.00 0.00 174.94 176.79 2k1q s THR 72 N 0.34 4.72 0.10 2.92 -4.23 -1.26 -3.87 115.64 114.36 2k1q s THR 72 Ca -0.19 0.96 -0.21 0.00 -1.18 0.00 0.00 61.69 61.07 2k1q s THR 72 Cb -0.18 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 69.87 2k1q s THR 72 CO 0.09 0.05 0.63 -1.10 -0.54 0.00 0.00 174.62 173.76 2k1q s GLN 73 N -2.41 4.32 -0.01 3.99 1.11 -1.26 -2.98 119.66 122.41 2k1q s GLN 73 Ca 0.46 0.87 -0.00 0.00 0.01 0.00 0.00 55.36 56.70 2k1q s GLN 73 Cb -0.13 -3.24 -0.01 0.00 -1.01 0.00 0.00 33.01 28.61 2k1q s GLN 73 CO 0.19 0.62 -0.01 -1.33 0.01 0.00 0.00 175.29 174.77 2k1q n MET 74 N 1.68 0.02 -5.31 2.91 2.81 -0.79 -4.84 117.12 113.60 2k1q n MET 74 Ca -0.09 0.01 -0.31 0.00 -1.81 0.00 0.00 57.70 55.50 2k1q n MET 74 Cb 0.50 -0.93 -0.16 0.00 -0.71 0.00 0.00 33.22 31.92 2k1q n MET 74 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2k1q s TYR 75 N -2.02 2.32 -0.02 2.03 2.02 -1.06 -5.00 117.35 115.63 2k1q s TYR 75 Ca -0.01 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2k1q s TYR 75 Cb 0.00 -1.50 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 2k1q s TYR 75 CO 0.02 -0.04 0.03 0.99 -1.57 0.00 0.00 175.55 174.98 2k1q s THR 76 N -0.61 -0.06 -0.30 -0.71 2.01 -1.26 -2.13 115.64 112.59 2k1q s THR 76 Ca 0.10 0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 2k1q s THR 76 Cb -0.10 -0.08 0.12 0.00 0.01 0.00 0.00 72.50 72.44 2k1q s THR 76 CO -0.01 0.09 0.19 0.21 -0.69 0.00 0.00 174.62 174.41 2k1q s ASN 77 N 1.08 2.89 0.14 3.53 3.84 -0.39 -5.00 114.94 121.02 2k1q s ASN 77 Ca -0.09 -1.28 -0.11 0.00 0.21 0.00 0.00 52.86 51.59 2k1q s ASN 77 Cb -0.13 -0.10 -0.05 0.00 -0.55 0.00 0.00 41.25 40.42 2k1q s ASN 77 CO -0.03 -0.40 1.46 0.58 -2.79 0.00 0.00 177.10 175.92 2k1q h VAL 78 N 6.14 1.27 -0.27 -5.21 2.07 -1.96 -0.17 116.25 118.12 2k1q h VAL 78 Ca -0.14 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.80 2k1q h VAL 78 Cb 1.02 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2k1q h VAL 78 CO 0.38 0.53 0.18 0.44 0.02 0.00 0.00 177.57 179.12 2k1q h ASP 79 N 0.74 0.31 -0.01 0.57 3.32 -1.96 -2.20 116.42 117.19 2k1q h ASP 79 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2k1q h ASP 79 Cb 1.01 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2k1q h ASP 79 CO 0.10 0.23 -0.00 1.67 -1.72 0.00 0.00 179.24 179.52 2k1q n GLN 80 N -4.90 1.47 -3.84 3.56 -0.06 -1.22 -4.93 117.38 107.47 2k1q n GLN 80 Ca -0.02 -0.69 -0.26 0.00 -2.00 0.00 0.00 57.00 54.03 2k1q n GLN 80 Cb 0.03 -1.49 0.02 0.00 -4.06 0.00 0.00 30.24 24.75 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2k1q n ASP 81 N -0.17 -2.84 -3.91 1.69 2.03 -0.16 -4.89 116.55 108.31 2k1q n ASP 81 Ca 0.20 -0.82 -0.11 0.00 0.52 0.00 0.00 54.79 54.58 2k1q n ASP 81 Cb 0.29 -3.86 -0.13 0.00 -0.72 0.00 0.00 41.12 36.70 2k1q n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k1q s LEU 82 N -7.00 2.08 0.09 -2.67 1.43 -0.67 -0.71 118.68 111.23 2k1q s LEU 82 Ca 0.33 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 2k1q s LEU 82 Cb -0.17 0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.08 2k1q s LEU 82 CO 0.83 -0.10 0.21 0.68 0.23 0.00 0.00 176.35 178.20 2k1q s VAL 83 N -0.48 0.14 0.08 -1.59 -7.23 -0.84 -1.26 120.40 109.21 2k1q s VAL 83 Ca -0.05 -1.13 -0.07 0.00 -1.81 0.00 0.00 61.98 58.91 2k1q s VAL 83 Cb -0.03 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 2k1q s VAL 83 CO -0.00 -0.63 0.15 -0.83 -0.31 0.00 0.00 175.10 173.48 2k1q s GLY 84 N -2.86 0.16 0.37 2.32 0.00 -0.90 -1.60 107.32 104.81 2k1q s GLY 84 Ca 0.05 -0.72 0.08 0.00 0.00 0.00 0.00 44.72 44.13 2k1q s GLY 84 CO -0.11 -0.89 -0.01 -0.98 0.00 0.00 0.00 173.10 171.11 2k1q s TRP 85 N -3.86 2.50 -0.13 1.90 0.51 -1.07 -1.88 118.94 116.91 2k1q s TRP 85 Ca 0.05 -0.54 -0.29 0.00 -2.12 0.00 0.00 56.10 53.20 2k1q s TRP 85 Cb 0.05 -1.59 -0.03 0.00 -0.81 0.00 0.00 33.47 31.10 2k1q s TRP 85 CO -0.11 0.47 1.39 -1.14 -0.51 0.00 0.00 176.95 177.06 2k1q s GLN 86 N -3.70 4.21 0.36 4.98 0.74 -1.16 -2.39 119.66 122.69 2k1q s GLN 86 Ca 0.35 1.83 -0.28 0.00 0.05 0.00 0.00 55.36 57.30 2k1q s GLN 86 Cb 0.04 -3.84 -0.10 0.00 1.10 0.00 0.00 33.01 30.21 2k1q s GLN 86 CO 0.18 -0.76 1.36 0.00 -0.55 0.00 0.00 175.29 175.52 2k1q s ALA 87 N 3.71 3.49 0.77 1.58 0.00 -1.21 -4.86 121.76 125.24 2k1q s ALA 87 Ca 0.61 1.35 -0.11 0.00 0.00 0.00 0.00 51.96 53.82 2k1q s ALA 87 Cb -0.25 -3.52 0.06 0.00 0.00 0.00 0.00 23.12 19.40 2k1q s ALA 87 CO 0.20 -0.79 1.09 -1.25 0.00 0.00 0.00 175.76 175.00 2k1q s PRO 88 N -1.95 2.28 0.33 0.00 0.04 -1.26 -4.98 135.00 129.46 2k1q s PRO 88 Ca 0.51 1.16 -0.27 0.00 0.04 0.00 0.00 61.00 62.44 2k1q s PRO 88 Cb -0.42 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 2k1q s PRO 88 CO 0.56 -1.63 1.10 -1.25 0.04 0.00 0.00 177.00 175.82 2k1q s PRO 89 N -4.91 4.43 -0.05 0.56 0.04 -1.26 -3.35 135.00 130.47 2k1q s PRO 89 Ca 0.61 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2k1q s PRO 89 Cb -0.17 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2k1q s PRO 89 CO 0.56 0.04 0.00 0.41 0.04 0.00 0.00 177.00 178.05 2k1q n GLY 90 N 0.88 0.35 3.67 0.56 0.00 -1.26 -4.71 105.19 104.69 2k1q n GLY 90 Ca 0.01 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 2k1q n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1q s ALA 91 N -2.03 3.24 0.60 4.61 0.00 -1.21 -4.80 121.76 122.18 2k1q s ALA 91 Ca 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 2k1q s ALA 91 Cb 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 22.05 2k1q s ALA 91 CO 0.00 0.60 0.88 1.03 0.00 0.00 0.00 175.76 178.27 2k1q s ARG 92 N -2.60 2.62 0.14 0.00 0.52 -1.26 -5.00 118.95 113.36 2k1q s ARG 92 Ca 0.26 -0.31 -0.05 0.00 -0.52 0.00 0.00 55.73 55.11 2k1q s ARG 92 Cb -0.11 -2.32 -0.02 0.00 0.52 0.00 0.00 34.95 33.02 2k1q s ARG 92 CO 0.18 -0.83 0.16 0.45 0.02 0.00 0.00 175.30 175.29 2k1q s SER 93 N -4.39 0.18 0.08 0.23 0.15 -1.26 -4.45 113.70 104.25 2k1q s SER 93 Ca 0.56 -0.99 0.05 0.00 0.70 0.00 0.00 55.95 56.27 2k1q s SER 93 Cb -0.10 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 2k1q s SER 93 CO 0.43 -0.79 -0.04 -0.76 1.20 0.00 0.00 173.24 173.28 2k1q s LEU 94 N -2.98 3.31 0.76 3.45 1.43 -0.77 -4.93 118.68 118.94 2k1q s LEU 94 Ca 0.18 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2k1q s LEU 94 Cb 0.05 -2.05 0.14 0.00 0.03 0.00 0.00 46.19 44.37 2k1q s LEU 94 CO -0.01 0.19 1.05 0.42 0.23 0.00 0.00 176.35 178.23 2k1q s THR 95 N -1.24 2.11 0.44 5.49 -4.23 -1.26 -4.04 115.64 112.90 2k1q s THR 95 Ca 0.23 -0.50 -0.05 0.00 -1.18 0.00 0.00 61.69 60.20 2k1q s THR 95 Cb -0.11 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 2k1q s THR 95 CO 0.16 0.00 0.73 -2.16 -0.54 0.00 0.00 174.62 172.80 2k1q s PRO 96 N -5.26 3.56 0.13 3.99 0.04 -1.26 0.05 135.00 136.24 2k1q s PRO 96 Ca 0.67 0.12 -0.31 0.00 0.04 0.00 0.00 61.00 61.53 2k1q s PRO 96 Cb -0.05 -2.44 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 2k1q s PRO 96 CO 0.46 -0.10 1.40 0.00 0.04 0.00 0.00 177.00 178.79 2k1q n THR 98 N 3.83 1.11 -0.59 0.00 -2.24 -1.26 -4.82 114.28 110.31 2k1q n THR 98 Ca 0.11 -4.09 0.00 0.00 -2.27 0.00 0.00 64.05 57.80 2k1q n THR 98 Cb 0.42 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2k1q n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q n GLY 100 N 0.00 -0.54 3.62 0.00 0.00 -1.26 -4.96 105.19 102.05 2k1q n GLY 100 Ca 0.00 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2k1q n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k1q s SER 101 N -3.09 6.06 0.33 1.61 0.15 -1.26 -4.96 113.70 112.55 2k1q s SER 101 Ca 0.48 0.05 0.13 0.00 0.70 0.00 0.00 55.95 57.31 2k1q s SER 101 Cb -0.21 -2.11 0.58 0.00 -1.71 0.00 0.00 66.02 62.57 2k1q s SER 101 CO 0.60 0.00 1.73 0.28 1.20 0.00 0.00 173.24 177.06 2k1q h SER 102 N 7.97 0.00 -3.10 5.45 0.02 -1.93 -3.44 113.55 118.53 2k1q h SER 102 Ca -0.36 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.06 2k1q h SER 102 Cb 1.18 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.77 2k1q h SER 102 CO 0.60 0.47 0.83 -1.81 -1.14 0.00 0.00 176.83 175.78 2k1q s ASP 103 N -6.82 6.59 0.04 3.07 1.01 -1.26 -0.60 116.67 118.70 2k1q s ASP 103 Ca -0.02 2.67 0.02 0.00 0.71 0.00 0.00 52.55 55.93 2k1q s ASP 103 Cb 0.13 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 2k1q s ASP 103 CO 0.73 -0.79 -0.07 -0.76 0.21 0.00 0.00 175.17 174.50 2k1q s LEU 104 N 0.35 2.25 -0.21 1.23 1.43 0.41 -4.26 118.68 119.88 2k1q s LEU 104 Ca 0.65 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2k1q s LEU 104 Cb -0.43 -0.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 2k1q s LEU 104 CO 0.38 -0.22 -0.06 -0.31 0.23 0.00 0.00 176.35 176.37 2k1q s TYR 105 N -1.39 2.94 -0.12 0.29 2.02 -0.67 -0.87 117.35 119.55 2k1q s TYR 105 Ca -0.11 -0.96 -0.16 0.00 -0.37 0.00 0.00 57.07 55.47 2k1q s TYR 105 Cb -0.10 -2.08 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 2k1q s TYR 105 CO 0.00 -0.55 0.40 -1.17 -1.57 0.00 0.00 175.55 172.66 2k1q s LEU 106 N 1.41 4.29 -0.26 -1.29 2.96 -1.11 -1.92 118.68 122.76 2k1q s LEU 106 Ca 0.05 0.72 -0.17 0.00 -0.22 0.00 0.00 54.13 54.51 2k1q s LEU 106 Cb -0.14 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 2k1q s LEU 106 CO -0.04 0.08 0.48 -0.69 -1.32 0.00 0.00 176.35 174.87 2k1q s VAL 107 N 0.33 5.10 0.46 1.68 1.01 -1.23 -3.45 120.40 124.30 2k1q s VAL 107 Ca 0.22 0.80 0.06 0.00 0.00 0.00 0.00 61.98 63.05 2k1q s VAL 107 Cb -0.14 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2k1q s VAL 107 CO 0.08 0.10 0.64 -0.89 0.00 0.00 0.00 175.10 175.03 2k1q s THR 108 N 2.25 2.93 0.48 3.92 2.01 -1.08 -4.71 115.64 121.44 2k1q s THR 108 Ca 0.20 -0.88 0.21 0.00 0.31 0.00 0.00 61.69 61.53 2k1q s THR 108 Cb -0.16 -3.02 0.26 0.00 0.01 0.00 0.00 72.50 69.60 2k1q s THR 108 CO 0.09 -0.01 2.10 0.03 -0.69 0.00 0.00 174.62 176.14 2k1q h ARG 109 N 0.45 0.00 -0.95 4.92 3.08 -1.92 -1.86 114.38 118.09 2k1q h ARG 109 Ca -0.41 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.32 2k1q h ARG 109 Cb 1.28 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.15 2k1q h ARG 109 CO 0.48 0.10 0.40 1.58 -1.07 0.00 0.00 179.97 181.46 2k1q n HIS 110 N -4.08 2.13 -3.84 3.04 -0.00 -1.26 -4.88 115.22 106.34 2k1q n HIS 110 Ca -0.02 -1.33 -0.28 0.00 0.46 0.00 0.00 57.72 56.54 2k1q n HIS 110 Cb 0.18 -0.70 0.03 0.00 -0.12 0.00 0.00 29.99 29.38 2k1q n HIS 110 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k1q n ALA 111 N -0.52 -1.42 -2.62 1.57 0.00 -0.70 -4.95 120.51 111.87 2k1q n ALA 111 Ca 0.40 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.62 2k1q n ALA 111 Cb 1.29 -4.16 -0.10 0.00 0.00 0.00 0.00 19.45 16.48 2k1q n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k1q s ASP 112 N -3.50 6.06 -1.12 0.00 1.01 -1.26 -4.87 116.67 112.98 2k1q s ASP 112 Ca 0.54 0.04 -0.05 0.00 0.71 0.00 0.00 52.55 53.78 2k1q s ASP 112 Cb -0.26 -2.11 0.28 0.00 1.01 0.00 0.00 42.92 41.83 2k1q s ASP 112 CO 0.81 -0.00 1.55 0.55 0.21 0.00 0.00 175.17 178.29 2k1q n VAL 113 N 4.73 5.12 -2.22 -1.27 3.14 -1.26 -2.64 118.33 123.93 2k1q n VAL 113 Ca -0.14 -5.61 -0.42 0.00 -2.96 0.00 0.00 64.34 55.20 2k1q n VAL 113 Cb 0.52 -2.15 -0.03 0.00 -1.06 0.00 0.00 33.84 31.12 2k1q n VAL 113 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 2k1q s ILE 114 N -2.09 3.44 0.14 1.55 1.10 -1.22 -4.80 121.20 119.32 2k1q s ILE 114 Ca 0.33 1.03 -0.30 0.00 -0.51 0.00 0.00 60.65 61.20 2k1q s ILE 114 Cb 0.05 -3.66 -0.07 0.00 0.15 0.00 0.00 42.46 38.93 2k1q s ILE 114 CO 0.08 0.08 1.11 -2.16 -2.11 0.00 0.00 174.94 171.93 2k1q s PRO 115 N 1.10 4.57 -0.06 3.50 0.04 -1.26 -2.74 135.00 140.14 2k1q s PRO 115 Ca 0.63 1.70 0.02 0.00 0.04 0.00 0.00 61.00 63.39 2k1q s PRO 115 Cb -0.35 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 30.89 2k1q s PRO 115 CO 0.30 0.01 -0.11 0.08 0.04 0.00 0.00 177.00 177.32 2k1q s VAL 116 N 0.09 1.02 -0.07 -0.36 1.01 -0.05 -4.13 120.40 117.90 2k1q s VAL 116 Ca 0.51 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2k1q s VAL 116 Cb -0.29 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 2k1q s VAL 116 CO 0.33 0.33 0.45 -0.60 0.00 0.00 0.00 175.10 175.61 2k1q s ARG 117 N 0.70 4.21 -0.10 2.72 6.06 -1.14 -0.45 118.95 130.95 2k1q s ARG 117 Ca -0.14 0.43 -0.29 0.00 -2.50 0.00 0.00 55.73 53.23 2k1q s ARG 117 Cb -0.15 -3.36 -0.01 0.00 0.06 0.00 0.00 34.95 31.48 2k1q s ARG 117 CO 0.03 0.35 0.99 0.50 -2.50 0.00 0.00 175.30 174.67 2k1q s ARG 118 N 0.01 4.43 -0.14 5.12 3.52 0.24 -0.20 118.95 131.92 2k1q s ARG 118 Ca 0.25 1.36 0.15 0.00 -0.13 0.00 0.00 55.73 57.36 2k1q s ARG 118 Cb -0.16 -3.53 0.32 0.00 -1.56 0.00 0.00 34.95 30.02 2k1q s ARG 118 CO 0.11 -0.28 1.17 0.54 -0.81 0.00 0.00 175.30 176.03 2k1q n ARG 119 N 4.89 1.24 -3.47 5.12 5.12 -0.85 -4.89 116.66 123.82 2k1q n ARG 119 Ca 0.08 -2.71 0.03 0.00 -1.93 0.00 0.00 57.85 53.32 2k1q n ARG 119 Cb 0.49 -1.39 0.01 0.00 -1.16 0.00 0.00 32.46 30.40 2k1q n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k1q n GLY 120 N -1.12 0.24 0.28 -0.13 0.00 -1.10 -4.90 105.19 98.46 2k1q n GLY 120 Ca 0.15 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 2k1q n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k1q h ASP 121 N 1.47 1.02 0.00 1.61 3.32 -1.98 -3.34 116.42 118.52 2k1q h ASP 121 Ca -0.15 -0.44 -0.05 0.00 0.02 0.00 0.00 57.03 56.41 2k1q h ASP 121 Cb 0.87 -0.29 -0.11 0.00 0.22 0.00 0.00 39.33 40.02 2k1q h ASP 121 CO 0.22 1.24 -0.56 -1.54 -1.72 0.00 0.00 179.24 176.88 2k1q n SER 122 N -4.08 1.01 -4.19 6.45 3.41 -1.26 -4.64 113.62 110.31 2k1q n SER 122 Ca -0.01 -2.50 -0.18 0.00 -0.26 0.00 0.00 58.87 55.92 2k1q n SER 122 Cb 0.51 -0.32 -0.12 0.00 -0.26 0.00 0.00 64.21 64.02 2k1q n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2k1q s ARG 123 N -1.05 0.88 0.23 4.33 3.00 -1.26 -1.51 118.95 123.58 2k1q s ARG 123 Ca 0.22 -1.06 -0.03 0.00 -1.00 0.00 0.00 55.73 53.86 2k1q s ARG 123 Cb 0.22 -0.83 -0.03 0.00 0.00 0.00 0.00 34.95 34.32 2k1q s ARG 123 CO -0.05 0.17 0.25 0.20 0.00 0.00 0.00 175.30 175.87 2k1q s GLY 124 N -2.01 1.33 0.18 8.12 0.00 -0.80 -2.00 107.32 112.15 2k1q s GLY 124 Ca 0.02 -1.54 0.09 0.00 0.00 0.00 0.00 44.72 43.29 2k1q s GLY 124 CO 0.02 -1.20 -0.12 -1.35 0.00 0.00 0.00 173.10 170.46 2k1q s SER 125 N -3.15 4.13 -0.28 1.64 1.04 0.73 -1.58 113.70 116.23 2k1q s SER 125 Ca 0.35 -0.63 -0.11 0.00 0.48 0.00 0.00 55.95 56.04 2k1q s SER 125 Cb 0.04 -0.65 -0.05 0.00 0.10 0.00 0.00 66.02 65.46 2k1q s SER 125 CO 0.14 0.10 0.19 -0.22 0.98 0.00 0.00 173.24 174.43 2k1q s LEU 126 N -2.83 4.02 0.18 2.42 2.96 0.35 -2.87 118.68 122.91 2k1q s LEU 126 Ca 0.24 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 54.05 2k1q s LEU 126 Cb -0.09 -2.12 0.05 0.00 0.50 0.00 0.00 46.19 44.54 2k1q s LEU 126 CO 0.14 -0.05 1.62 -0.07 -1.32 0.00 0.00 176.35 176.67 2k1q h LEU 127 N 8.37 1.06 -8.31 -0.68 4.07 -1.85 -3.40 115.31 114.57 2k1q h LEU 127 Ca -0.35 -0.33 -0.68 0.00 0.08 0.00 0.00 57.88 56.60 2k1q h LEU 127 Cb 1.19 -0.29 -0.28 0.00 1.08 0.00 0.00 40.66 42.36 2k1q h LEU 127 CO 0.55 1.13 -0.65 -0.44 -1.08 0.00 0.00 178.44 177.95 2k1q s SER 128 N -6.62 4.95 -0.17 -0.43 0.01 -1.26 -5.05 113.70 105.12 2k1q s SER 128 Ca -0.12 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.06 2k1q s SER 128 Cb 0.13 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 64.49 2k1q s SER 128 CO 0.86 -0.19 1.88 -2.16 0.41 0.00 0.00 173.24 174.05 2k1q s PRO 129 N 1.44 3.64 0.22 12.44 0.04 -1.26 -4.97 135.00 146.55 2k1q s PRO 129 Ca 0.01 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.10 2k1q s PRO 129 Cb -0.17 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.14 2k1q s PRO 129 CO 0.01 -1.50 -0.15 1.03 0.04 0.00 0.00 177.00 176.43 2k1q s ARG 130 N 5.19 1.38 0.79 4.56 0.52 -1.24 -4.93 118.95 125.23 2k1q s ARG 130 Ca 0.84 -1.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.31 2k1q s ARG 130 Cb -0.31 -1.22 0.07 0.00 0.52 0.00 0.00 34.95 34.02 2k1q s ARG 130 CO 0.34 0.20 1.16 -1.25 0.02 0.00 0.00 175.30 175.77 2k1q s PRO 131 N -3.63 1.86 0.51 3.54 0.04 -1.26 -1.26 135.00 134.80 2k1q s PRO 131 Ca 0.24 1.56 0.28 0.00 0.04 0.00 0.00 61.00 63.11 2k1q s PRO 131 Cb -0.01 -1.82 1.33 0.00 0.04 0.00 0.00 34.50 34.04 2k1q s PRO 131 CO 0.08 -2.01 2.01 -0.39 0.04 0.00 0.00 177.00 176.73 2k1q h VAL 132 N -0.91 0.49 -1.01 -0.36 -1.51 -1.87 -2.90 116.25 108.18 2k1q h VAL 132 Ca -0.45 -0.69 0.01 0.00 -1.23 0.00 0.00 66.70 64.34 2k1q h VAL 132 Cb 1.27 1.47 -0.05 0.00 -2.13 0.00 0.00 31.29 31.85 2k1q h VAL 132 CO 0.48 0.13 0.67 0.28 -1.23 0.00 0.00 177.57 177.90 2k1q h SER 133 N 0.00 1.16 0.01 4.19 0.02 -1.90 0.20 113.55 117.22 2k1q h SER 133 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2k1q h SER 133 Cb 0.46 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 2k1q h SER 133 CO 0.02 0.84 -0.01 0.22 -1.14 0.00 0.00 176.83 176.76 2k1q h TYR 134 N 1.37 -0.02 0.00 3.45 3.20 -1.88 -2.21 116.97 120.87 2k1q h TYR 134 Ca 0.37 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.18 2k1q h TYR 134 Cb -0.16 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2k1q h TYR 134 CO -0.00 -0.01 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.13 2k1q h LEU 135 N -0.02 0.00 -9.62 2.82 -0.00 -1.59 -3.43 115.31 103.47 2k1q h LEU 135 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.34 2k1q h LEU 135 Cb 0.02 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 40.74 2k1q h LEU 135 CO -0.00 0.30 0.96 1.17 -0.00 0.00 0.00 178.44 180.87 2k1q n LYS 136 N -3.61 2.62 0.00 1.13 3.00 0.66 -1.44 118.16 120.53 2k1q n LYS 136 Ca -0.01 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.25 2k1q n LYS 136 Cb 0.43 -2.78 0.00 0.00 0.00 0.00 0.00 35.03 32.68 2k1q n LYS 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k1q n GLY 137 N 3.84 0.92 0.47 3.14 0.00 -1.26 -4.89 105.19 107.42 2k1q n GLY 137 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2k1q n GLY 137 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k1q n SER 138 N 0.00 1.72 -4.78 1.61 3.41 -0.52 -3.97 113.62 111.09 2k1q n SER 138 Ca 0.00 -1.36 -0.41 0.00 -0.26 0.00 0.00 58.87 56.84 2k1q n SER 138 Cb 0.00 0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2k1q n SER 138 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k1q n SER 139 N -0.00 3.85 0.00 4.04 2.88 -1.26 -2.08 113.62 121.06 2k1q n SER 139 Ca 0.13 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 2k1q n SER 139 Cb 0.42 -1.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.25 2k1q n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k1q n GLY 140 N 0.44 3.22 3.72 0.46 0.00 -0.18 -3.25 105.19 109.59 2k1q n GLY 140 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2k1q n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1q s GLY 141 N -2.86 2.17 0.14 -0.02 0.00 -0.88 -3.74 107.32 102.12 2k1q s GLY 141 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 44.72 45.42 2k1q s GLY 141 CO 0.00 1.14 0.37 2.56 0.00 0.00 0.00 173.10 177.17 2k1q s PRO 142 N -4.13 3.61 -0.37 2.90 0.04 -1.26 -1.72 135.00 134.06 2k1q s PRO 142 Ca 0.71 -0.11 -0.09 0.00 0.04 0.00 0.00 61.00 61.55 2k1q s PRO 142 Cb -0.26 -2.86 0.04 0.00 0.04 0.00 0.00 34.50 31.46 2k1q s PRO 142 CO 0.48 0.47 0.18 -0.51 0.04 0.00 0.00 177.00 177.66 2k1q s LEU 143 N -2.66 4.68 -0.19 -3.56 1.02 0.10 -3.47 118.68 114.60 2k1q s LEU 143 Ca 0.41 -1.15 -0.11 0.00 0.02 0.00 0.00 54.13 53.29 2k1q s LEU 143 Cb -0.12 -1.96 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 2k1q s LEU 143 CO 0.25 -0.40 0.18 -0.76 0.02 0.00 0.00 176.35 175.64 2k1q s LEU 144 N 1.48 4.22 0.76 1.79 1.02 -0.81 0.19 118.68 127.33 2k1q s LEU 144 Ca 0.01 0.32 -0.11 0.00 0.02 0.00 0.00 54.13 54.37 2k1q s LEU 144 Cb -0.20 -2.18 0.05 0.00 0.02 0.00 0.00 46.19 43.88 2k1q s LEU 144 CO 0.04 0.16 1.09 0.00 0.02 0.00 0.00 176.35 177.67 2k1q h PRO 146 N -1.01 0.00 -0.84 0.00 0.13 -1.92 -0.07 132.00 128.29 2k1q h PRO 146 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 2k1q h PRO 146 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2k1q h PRO 146 CO 0.52 0.00 0.38 0.77 -0.23 0.00 0.00 178.00 179.44 2k1q h SER 147 N 0.00 1.12 0.00 1.44 0.02 -1.95 -3.46 113.55 110.71 2k1q h SER 147 Ca 0.25 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k1q h SER 147 Cb 1.29 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2k1q h SER 147 CO -0.00 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 2k1q n GLY 148 N -0.96 1.39 3.14 -3.77 0.00 -0.04 -5.15 105.19 99.79 2k1q n GLY 148 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 2k1q n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k1q s HIS 149 N -1.98 1.09 0.32 1.61 3.76 -1.25 -4.83 115.29 114.02 2k1q s HIS 149 Ca 0.00 -0.45 -0.29 0.00 -0.15 0.00 0.00 55.06 54.17 2k1q s HIS 149 Cb 0.00 -0.62 -0.10 0.00 1.11 0.00 0.00 32.58 32.96 2k1q s HIS 149 CO 0.00 0.02 1.27 0.00 -0.85 0.00 0.00 174.74 175.19 2k1q s ALA 150 N -1.24 3.48 -0.07 -1.40 0.00 0.11 -1.69 121.76 120.95 2k1q s ALA 150 Ca -0.03 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.15 2k1q s ALA 150 Cb -0.10 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 2k1q s ALA 150 CO 0.02 -0.56 -0.03 0.28 0.00 0.00 0.00 175.76 175.47 2k1q n VAL 151 N 0.88 0.40 -3.02 0.00 0.31 0.13 0.64 118.33 117.67 2k1q n VAL 151 Ca -0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2k1q n VAL 151 Cb 0.42 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 2k1q n VAL 151 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k1q n GLY 152 N 2.96 -1.01 3.07 2.92 0.00 -1.23 -0.96 105.19 110.94 2k1q n GLY 152 Ca -0.11 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 2k1q n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k1q s ILE 153 N -3.00 0.93 0.32 -0.61 1.01 -0.65 -0.72 121.20 118.48 2k1q s ILE 153 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 2k1q s ILE 153 Cb 0.00 -0.77 -0.11 0.00 0.01 0.00 0.00 42.46 41.59 2k1q s ILE 153 CO 0.00 0.26 1.41 0.12 0.00 0.00 0.00 174.94 176.73 2k1q s PHE 154 N -0.28 2.89 0.00 3.97 5.36 -0.70 -1.15 117.98 128.06 2k1q s PHE 154 Ca 0.04 1.21 -0.01 0.00 -0.96 0.00 0.00 56.93 57.22 2k1q s PHE 154 Cb -0.05 -3.84 -0.01 0.00 -0.34 0.00 0.00 43.02 38.79 2k1q s PHE 154 CO -0.00 -2.49 -0.03 -2.13 -1.46 0.00 0.00 175.22 169.11 2k1q n ARG 155 N 1.13 0.04 -3.66 10.12 0.63 0.05 -1.01 116.66 123.96 2k1q n ARG 155 Ca 0.02 0.02 -0.10 0.00 -0.92 0.00 0.00 57.85 56.87 2k1q n ARG 155 Cb 0.40 -0.57 -0.05 0.00 0.45 0.00 0.00 32.46 32.69 2k1q n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k1q s ALA 156 N -2.05 -0.84 0.13 5.13 0.00 -1.20 -4.84 121.76 118.09 2k1q s ALA 156 Ca -0.03 -0.13 0.06 0.00 0.00 0.00 0.00 51.96 51.86 2k1q s ALA 156 Cb 0.01 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 2k1q s ALA 156 CO 0.04 -0.63 -0.00 0.00 0.00 0.00 0.00 175.76 175.16 2k1q s ALA 157 N -3.81 3.24 -0.27 0.00 0.00 -1.26 -1.17 121.76 118.48 2k1q s ALA 157 Ca 0.03 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 2k1q s ALA 157 Cb 0.02 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 2k1q s ALA 157 CO -0.12 0.61 0.06 0.08 0.00 0.00 0.00 175.76 176.38 2k1q s VAL 158 N -1.47 3.94 0.01 0.00 1.01 0.16 -4.95 120.40 119.09 2k1q s VAL 158 Ca 0.26 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2k1q s VAL 158 Cb -0.11 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 2k1q s VAL 158 CO 0.18 0.20 -0.14 0.00 0.00 0.00 0.00 175.10 175.35 2k1q h THR 160 N 4.68 1.38 0.00 0.00 2.02 -1.85 -3.43 112.91 115.72 2k1q h THR 160 Ca -0.36 -1.16 -0.21 0.00 0.77 0.00 0.00 66.41 65.46 2k1q h THR 160 Cb 1.17 2.13 -0.14 0.00 -1.74 0.00 0.00 68.15 69.57 2k1q h THR 160 CO 0.47 0.30 -0.30 -2.11 0.37 0.00 0.00 175.52 174.26 2k1q n ARG 161 N -4.83 0.96 0.00 6.66 1.85 -1.26 -4.93 116.66 115.11 2k1q n ARG 161 Ca -0.08 -1.67 0.00 0.00 -1.00 0.00 0.00 57.85 55.10 2k1q n ARG 161 Cb 0.26 -0.39 0.00 0.00 -1.05 0.00 0.00 32.46 31.28 2k1q n ARG 161 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k1q n GLY 162 N -0.18 2.34 3.30 2.89 0.00 -1.26 -5.07 105.19 107.20 2k1q n GLY 162 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2k1q n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1q s VAL 163 N -2.22 3.22 -0.06 1.61 1.01 -1.26 -2.69 120.40 120.00 2k1q s VAL 163 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 2k1q s VAL 163 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2k1q s VAL 163 CO 0.00 0.44 0.70 0.00 0.00 0.00 0.00 175.10 176.24 2k1q s ALA 164 N 1.37 3.34 -0.05 5.51 0.00 -0.39 -2.25 121.76 129.29 2k1q s ALA 164 Ca 0.05 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.21 2k1q s ALA 164 Cb -0.14 -2.95 -0.11 0.00 0.00 0.00 0.00 23.12 19.92 2k1q s ALA 164 CO -0.04 -0.10 0.09 0.36 0.00 0.00 0.00 175.76 176.07 2k1q n LYS 165 N 3.75 1.79 -3.96 0.00 2.85 -0.38 -3.67 118.16 118.53 2k1q n LYS 165 Ca -0.01 -0.03 -0.08 0.00 -1.05 0.00 0.00 58.31 57.13 2k1q n LYS 165 Cb 0.51 -1.20 -0.09 0.00 -0.65 0.00 0.00 35.03 33.61 2k1q n LYS 165 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k1q s ALA 166 N -2.33 0.09 0.47 0.58 0.00 -1.19 0.13 121.76 119.51 2k1q s ALA 166 Ca -0.03 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.15 2k1q s ALA 166 Cb 0.03 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 2k1q s ALA 166 CO 0.32 -0.39 0.07 0.14 0.00 0.00 0.00 175.76 175.91 2k1q s VAL 167 N -3.39 0.77 -0.02 0.00 -7.23 -0.61 0.36 120.40 110.27 2k1q s VAL 167 Ca 0.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 2k1q s VAL 167 Cb 0.04 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.82 2k1q s VAL 167 CO -0.08 0.00 -0.05 -1.81 -0.31 0.00 0.00 175.10 172.85 2k1q s ASP 168 N -3.76 0.74 0.04 4.85 1.11 -0.32 -1.90 116.67 117.44 2k1q s ASP 168 Ca 0.12 -0.10 0.01 0.00 0.18 0.00 0.00 52.55 52.75 2k1q s ASP 168 Cb 0.01 -0.24 -0.03 0.00 1.07 0.00 0.00 42.92 43.73 2k1q s ASP 168 CO 0.08 0.00 -0.05 0.72 1.18 0.00 0.00 175.17 177.10 2k1q s PHE 169 N 0.43 0.52 -0.28 4.23 -0.71 -0.57 -0.77 117.98 120.83 2k1q s PHE 169 Ca -0.05 -0.67 -0.16 0.00 -1.04 0.00 0.00 56.93 55.01 2k1q s PHE 169 Cb -0.09 -0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.36 2k1q s PHE 169 CO -0.00 -0.18 0.41 0.08 -1.34 0.00 0.00 175.22 174.18 2k1q s VAL 170 N -2.17 5.14 0.76 -2.49 1.01 -0.30 -4.53 120.40 117.83 2k1q s VAL 170 Ca -0.06 0.55 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 2k1q s VAL 170 Cb -0.05 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.63 2k1q s VAL 170 CO -0.03 0.09 1.19 -2.16 0.00 0.00 0.00 175.10 174.20 2k1q s PRO 171 N 2.14 1.97 0.62 2.72 0.04 -1.26 -1.63 135.00 139.60 2k1q s PRO 171 Ca 0.16 1.71 0.33 0.00 0.04 0.00 0.00 61.00 63.23 2k1q s PRO 171 Cb -0.16 -1.82 1.83 0.00 0.04 0.00 0.00 34.50 34.39 2k1q s PRO 171 CO 0.10 -1.95 2.13 0.28 0.04 0.00 0.00 177.00 177.60 2k1q h VAL 172 N -0.57 0.27 -0.31 -0.36 2.07 -1.39 -1.34 116.25 114.61 2k1q h VAL 172 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2k1q h VAL 172 Cb 1.29 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2k1q h VAL 172 CO 0.48 0.00 0.21 -0.33 0.02 0.00 0.00 177.57 177.95 2k1q h GLU 173 N 0.00 0.42 -0.80 1.57 3.07 -1.89 -2.00 114.58 114.94 2k1q h GLU 173 Ca 0.05 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.89 2k1q h GLU 173 Cb 0.42 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 2k1q h GLU 173 CO -0.00 0.28 0.53 1.03 -1.40 0.00 0.00 179.01 179.44 2k1q h SER 174 N 0.43 0.93 -1.01 1.42 0.87 -1.58 -2.27 113.55 112.34 2k1q h SER 174 Ca 0.12 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2k1q h SER 174 Cb -0.05 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.63 2k1q h SER 174 CO -0.02 0.67 0.67 0.24 -0.53 0.00 0.00 176.83 177.86 2k1q h MET 175 N 1.09 1.32 -0.85 2.24 2.86 -1.52 -1.15 114.93 118.92 2k1q h MET 175 Ca 0.29 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2k1q h MET 175 Cb -0.12 -0.30 -0.04 0.00 0.06 0.00 0.00 31.60 31.20 2k1q h MET 175 CO -0.06 0.88 0.42 0.93 1.06 0.00 0.00 176.91 180.13 2k1q h GLU 176 N 1.36 1.23 -0.37 1.72 4.39 -1.45 -2.11 114.58 119.36 2k1q h GLU 176 Ca 0.37 -0.18 -0.17 0.00 0.34 0.00 0.00 59.36 59.73 2k1q h GLU 176 Cb -0.16 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.27 2k1q h GLU 176 CO -0.08 0.94 -0.42 1.15 -1.16 0.00 0.00 179.01 179.44 2k1q h THR 177 N 1.22 1.27 -0.05 1.13 2.02 -1.27 -1.44 112.91 115.79 2k1q h THR 177 Ca 0.29 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2k1q h THR 177 Cb 0.11 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2k1q h THR 177 CO -0.04 0.53 0.03 0.74 0.37 0.00 0.00 175.52 177.15 2k1q h THR 178 N 0.75 1.01 -0.49 3.16 2.02 -0.91 0.66 112.91 119.11 2k1q h THR 178 Ca 0.05 -0.02 -0.13 0.00 0.77 0.00 0.00 66.41 67.08 2k1q h THR 178 Cb 1.02 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2k1q h THR 178 CO 0.10 0.01 -0.22 0.24 0.37 0.00 0.00 175.52 176.02 2k1q h MET 179 N 0.06 1.01 -0.39 6.66 2.07 -1.40 -1.38 114.93 121.55 2k1q h MET 179 Ca 0.02 -0.43 -0.16 0.00 -2.07 0.00 0.00 59.70 57.05 2k1q h MET 179 Cb -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.68 2k1q h MET 179 CO -0.00 1.11 -0.38 -0.09 1.07 0.00 0.00 176.91 178.61 2k1q h ARG 180 N 0.87 0.95 0.00 1.72 2.43 -1.04 -3.02 114.38 116.29 2k1q h ARG 180 Ca 0.11 -0.50 -0.09 0.00 -0.81 0.00 0.00 59.98 58.69 2k1q h ARG 180 Cb 0.80 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2k1q h ARG 180 CO 0.07 1.16 -0.45 0.00 -1.51 0.00 0.00 179.97 179.23 2k1q h ALA 181 N 0.78 1.16 -0.63 2.80 0.00 0.39 -3.10 119.26 120.66 2k1q h ALA 181 Ca 0.06 -0.41 -0.47 0.00 0.00 0.00 0.00 54.91 54.10 2k1q h ALA 181 Cb 0.98 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.51 2k1q h ALA 181 CO 0.10 0.56 0.55 0.43 0.00 0.00 0.00 179.25 180.89 2k1q n SER 182 N -3.87 6.81 0.04 0.00 7.64 -0.53 -4.62 113.62 119.09 2k1q n SER 182 Ca -0.01 -3.30 -0.12 0.00 1.01 0.00 0.00 58.87 56.45 2k1q n SER 182 Cb 0.49 -1.08 -0.07 0.00 -1.01 0.00 0.00 64.21 62.54 2k1q n SER 182 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2k1q h LYS 183 N 2.02 0.00 -2.59 1.43 3.64 -1.62 -3.43 116.57 116.02 2k1q h LYS 183 Ca 0.40 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.66 2k1q h LYS 183 Cb 0.79 -0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.33 2k1q h LYS 183 CO 1.01 0.00 -0.40 0.21 -2.27 0.00 0.00 179.45 178.00 2k1q s LYS 184 N -6.19 0.28 0.07 1.90 2.20 -1.26 -5.14 119.74 111.60 2k1q s LYS 184 Ca -0.13 0.97 -0.05 0.00 -0.36 0.00 0.00 55.97 56.41 2k1q s LYS 184 Cb 0.06 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.61 2k1q s LYS 184 CO 0.66 -0.26 0.07 0.15 -0.36 0.00 0.00 175.35 175.62 2k1q s LYS 185 N 2.57 0.72 0.00 4.03 1.02 -1.26 -5.20 119.74 121.62 2k1q s LYS 185 Ca -0.01 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 54.88 2k1q s LYS 185 Cb -0.12 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 2k1q s LYS 185 CO -0.12 -0.18 0.00 1.17 -0.92 0.00 0.00 175.35 175.30