#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1q n GLY 23 N 0.00 -1.24 3.31 1.09 0.00 -1.26 -5.16 105.19 101.94 2k1q n GLY 23 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 2k1q n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k1q s ARG 24 N -0.51 2.11 -0.21 1.61 6.06 -1.26 -5.02 118.95 121.73 2k1q s ARG 24 Ca 0.00 -0.93 0.15 0.00 -2.50 0.00 0.00 55.73 52.45 2k1q s ARG 24 Cb 0.00 -2.04 0.60 0.00 0.06 0.00 0.00 34.95 33.57 2k1q s ARG 24 CO 0.00 0.56 1.52 -0.25 -2.50 0.00 0.00 175.30 174.63 2k1q n ASP 25 N 2.44 4.21 -4.60 -2.12 8.00 -1.26 -4.95 116.55 118.28 2k1q n ASP 25 Ca -0.16 -3.08 -0.38 0.00 0.71 0.00 0.00 54.79 51.88 2k1q n ASP 25 Cb 0.51 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.91 2k1q n ASP 25 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k1q s LYS 26 N -2.87 3.96 0.15 -1.24 1.02 -1.26 -5.06 119.74 114.44 2k1q s LYS 26 Ca 0.46 -0.31 -0.21 0.00 0.02 0.00 0.00 55.97 55.93 2k1q s LYS 26 Cb 0.37 -3.65 0.06 0.00 -0.52 0.00 0.00 37.83 34.09 2k1q s LYS 26 CO 0.10 -0.16 0.54 1.21 -0.92 0.00 0.00 175.35 176.12 2k1q s ASN 27 N 1.70 -0.47 -0.25 2.83 3.84 -1.26 -5.14 114.94 116.19 2k1q s ASN 27 Ca 0.07 -0.09 -0.11 0.00 0.21 0.00 0.00 52.86 52.94 2k1q s ASN 27 Cb -0.16 0.56 -0.05 0.00 -0.55 0.00 0.00 41.25 41.05 2k1q s ASN 27 CO 0.10 -0.93 0.17 -1.10 -2.79 0.00 0.00 177.10 172.55 2k1q s GLN 28 N -3.76 4.03 0.41 0.43 -0.21 -1.26 -4.96 119.66 114.34 2k1q s GLN 28 Ca 0.02 -0.29 0.20 0.00 0.02 0.00 0.00 55.36 55.31 2k1q s GLN 28 Cb -0.00 -3.58 0.87 0.00 1.00 0.00 0.00 33.01 31.30 2k1q s GLN 28 CO -0.13 -0.02 1.83 -0.39 -2.12 0.00 0.00 175.29 174.46 2k1q h VAL 29 N 5.13 0.85 -3.97 1.09 -1.51 -2.00 -3.38 116.25 112.46 2k1q h VAL 29 Ca -0.37 -1.24 -0.60 0.00 -1.23 0.00 0.00 66.70 63.26 2k1q h VAL 29 Cb 1.18 1.75 -0.23 0.00 -2.13 0.00 0.00 31.29 31.86 2k1q h VAL 29 CO 0.62 0.30 -0.84 -1.61 -1.23 0.00 0.00 177.57 174.81 2k1q s GLU 30 N -3.83 1.25 0.00 5.19 2.02 -1.26 -4.35 118.70 117.73 2k1q s GLU 30 Ca -0.01 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.80 2k1q s GLU 30 Cb 0.12 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.80 2k1q s GLU 30 CO 0.67 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.73 2k1q n GLY 31 N 1.17 -0.31 0.27 -1.39 0.00 -1.26 -4.90 105.19 98.77 2k1q n GLY 31 Ca -0.19 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.78 -5.09 1.61 5.08 -1.95 -3.42 114.58 111.60 2k1q h GLU 32 Ca 0.00 -0.29 -0.65 0.00 -1.00 0.00 0.00 59.36 57.42 2k1q h GLU 32 Cb 0.00 -0.05 -0.25 0.00 0.50 0.00 0.00 28.75 28.95 2k1q h GLU 32 CO 0.00 0.90 -0.69 0.08 -1.00 0.00 0.00 179.01 178.30 2k1q s VAL 33 N -4.67 3.70 0.21 3.13 1.01 -1.26 -2.72 120.40 119.79 2k1q s VAL 33 Ca -0.09 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.59 2k1q s VAL 33 Cb 0.13 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2k1q s VAL 33 CO 0.83 0.43 -0.18 -1.10 0.00 0.00 0.00 175.10 175.08 2k1q s GLN 34 N 1.14 1.42 -0.04 2.72 -0.21 -1.22 -5.03 119.66 118.44 2k1q s GLN 34 Ca 0.02 -1.57 -0.22 0.00 0.02 0.00 0.00 55.36 53.61 2k1q s GLN 34 Cb -0.15 -1.43 -0.04 0.00 1.00 0.00 0.00 33.01 32.39 2k1q s GLN 34 CO 0.00 0.27 0.66 0.08 -2.12 0.00 0.00 175.29 174.19 2k1q s VAL 35 N -2.43 4.99 0.12 1.09 1.01 -1.26 -3.16 120.40 120.76 2k1q s VAL 35 Ca 0.22 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.65 2k1q s VAL 35 Cb -0.04 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2k1q s VAL 35 CO 0.09 0.31 -0.17 0.68 0.00 0.00 0.00 175.10 176.01 2k1q s VAL 36 N 0.45 1.55 0.30 2.92 -7.23 -0.75 -4.32 120.40 113.31 2k1q s VAL 36 Ca 0.35 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.90 2k1q s VAL 36 Cb -0.18 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 2k1q s VAL 36 CO 0.18 -0.26 0.18 -1.20 -0.31 0.00 0.00 175.10 173.69 2k1q n SER 37 N 0.72 0.18 -0.91 4.85 7.64 -0.74 -1.83 113.62 123.53 2k1q n SER 37 Ca -0.17 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 56.93 2k1q n SER 37 Cb 0.56 1.14 0.00 0.00 -1.01 0.00 0.00 64.21 64.90 2k1q n SER 37 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2k1q n THR 38 N -0.62 0.00 -0.30 0.44 -1.04 0.16 -2.72 114.28 110.20 2k1q n THR 38 Ca 0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.03 2k1q n THR 38 Cb 0.50 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.20 2k1q n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1q h ALA 39 N 1.24 1.41 0.00 2.41 0.00 -1.98 -3.36 119.26 118.98 2k1q h ALA 39 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k1q h ALA 39 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2k1q h ALA 39 CO 0.00 0.52 0.00 -2.37 0.00 0.00 0.00 179.25 177.40 2k1q n THR 40 N -4.42 0.00 -4.27 0.00 5.66 -1.26 -5.10 114.28 104.88 2k1q n THR 40 Ca 0.11 -0.04 -0.29 0.00 -3.05 0.00 0.00 64.05 60.79 2k1q n THR 40 Cb 0.07 1.26 -0.10 0.00 -1.55 0.00 0.00 70.33 70.00 2k1q n THR 40 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2k1q s GLN 41 N -0.05 1.98 0.00 1.09 2.00 -1.26 -5.14 119.66 118.29 2k1q s GLN 41 Ca 0.00 -1.16 0.02 0.00 -2.00 0.00 0.00 55.36 52.22 2k1q s GLN 41 Cb 0.00 -2.19 -0.01 0.00 0.80 0.00 0.00 33.01 31.61 2k1q s GLN 41 CO 0.00 0.47 -0.05 -1.12 -0.50 0.00 0.00 175.29 174.09 2k1q s SER 42 N -2.39 0.63 0.11 6.67 0.01 -1.26 0.35 113.70 117.82 2k1q s SER 42 Ca 0.21 -0.16 -0.18 0.00 1.31 0.00 0.00 55.95 57.14 2k1q s SER 42 Cb -0.10 -0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.14 2k1q s SER 42 CO 0.13 0.02 0.83 2.22 0.41 0.00 0.00 173.24 176.85 2k1q n PHE 43 N 2.73 -0.99 -4.12 2.43 -1.74 -0.76 -4.57 117.46 110.45 2k1q n PHE 43 Ca -0.14 -0.88 -0.24 0.00 -0.56 0.00 0.00 57.45 55.63 2k1q n PHE 43 Cb 0.58 0.42 -0.07 0.00 1.52 0.00 0.00 39.48 41.93 2k1q n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2k1q s LEU 44 N 0.00 3.16 0.08 5.98 1.43 -1.00 -1.81 118.68 126.52 2k1q s LEU 44 Ca 0.19 -0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 52.25 2k1q s LEU 44 Cb -0.02 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2k1q s LEU 44 CO 0.03 -0.44 0.16 0.00 0.23 0.00 0.00 176.35 176.33 2k1q s ALA 45 N -2.53 -0.11 -0.02 4.21 0.00 -1.19 -3.76 121.76 118.36 2k1q s ALA 45 Ca 0.40 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.72 2k1q s ALA 45 Cb 0.01 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2k1q s ALA 45 CO 0.22 -0.49 -0.25 -0.08 0.00 0.00 0.00 175.76 175.16 2k1q s THR 46 N -3.87 2.00 -0.41 0.00 -1.32 -1.14 -3.45 115.64 107.43 2k1q s THR 46 Ca 0.05 -1.09 -0.16 0.00 -1.21 0.00 0.00 61.69 59.29 2k1q s THR 46 Cb 0.05 -1.66 0.02 0.00 -1.51 0.00 0.00 72.50 69.41 2k1q s THR 46 CO -0.11 0.55 0.33 0.00 -2.21 0.00 0.00 174.62 173.19 2k1q s VAL 48 N 1.79 3.70 -1.46 0.00 1.01 0.12 -1.35 120.40 124.21 2k1q s VAL 48 Ca 0.07 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 2k1q s VAL 48 Cb -0.19 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.64 2k1q s VAL 48 CO 0.11 0.50 1.07 -3.20 0.00 0.00 0.00 175.10 173.58 2k1q n ASN 49 N 3.52 -5.52 -0.80 3.32 2.85 -1.26 -1.06 115.26 116.30 2k1q n ASN 49 Ca -0.18 -0.67 -0.10 0.00 -0.11 0.00 0.00 54.58 53.52 2k1q n ASN 49 Cb 0.53 -4.37 -0.04 0.00 1.24 0.00 0.00 39.78 37.13 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 -1.83 1.19 2.97 8.20 0.00 -1.26 -5.00 105.19 109.46 2k1q n GLY 50 Ca 0.03 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.38 0.89 0.27 1.61 1.01 -0.22 -3.10 120.40 118.47 2k1q s VAL 51 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 2k1q s VAL 51 Cb 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 2k1q s VAL 51 CO 0.00 0.30 1.01 0.00 0.00 0.00 0.00 175.10 176.41 2k1q s TRP 53 N -1.21 1.18 0.19 0.00 0.52 0.32 -2.59 118.94 117.35 2k1q s TRP 53 Ca 0.44 -0.39 -0.19 0.00 0.02 0.00 0.00 56.10 55.97 2k1q s TRP 53 Cb -0.28 -0.69 0.07 0.00 -1.15 0.00 0.00 33.47 31.42 2k1q s TRP 53 CO 0.35 0.04 0.94 -2.37 0.02 0.00 0.00 176.95 175.93 2k1q n THR 54 N 1.71 0.00 -2.96 2.01 5.66 -0.99 -2.90 114.28 116.82 2k1q n THR 54 Ca -0.19 -0.57 -0.29 0.00 -3.05 0.00 0.00 64.05 59.96 2k1q n THR 54 Cb 0.55 0.74 -0.02 0.00 -1.55 0.00 0.00 70.33 70.05 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 -2.10 4.91 0.07 1.08 0.11 -1.26 -2.40 120.40 120.80 2k1q s VAL 55 Ca 0.21 0.27 -0.18 0.00 -2.93 0.00 0.00 61.98 59.35 2k1q s VAL 55 Cb -0.03 -3.78 -0.12 0.00 -1.53 0.00 0.00 36.38 30.92 2k1q s VAL 55 CO 0.06 -0.57 1.37 0.22 -3.33 0.00 0.00 175.10 172.85 2k1q h TYR 56 N 1.03 0.64 0.00 1.54 5.03 -1.34 -2.92 116.97 120.95 2k1q h TYR 56 Ca -0.47 -0.20 -0.00 0.00 2.58 0.00 0.00 58.73 60.63 2k1q h TYR 56 Cb 1.20 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 2k1q h TYR 56 CO 0.58 0.89 -0.02 1.12 -1.32 0.00 0.00 178.16 179.42 2k1q h HIS 57 N 0.21 0.00 0.01 -3.82 2.07 -1.95 -2.33 115.15 109.33 2k1q h HIS 57 Ca 0.03 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.52 2k1q h HIS 57 Cb 0.79 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.77 2k1q h HIS 57 CO 0.08 0.02 -0.12 0.78 -3.07 0.00 0.00 177.93 175.61 2k1q h GLY 58 N 0.14 0.08 -7.33 6.13 0.00 -1.94 -3.42 103.07 96.73 2k1q h GLY 58 Ca -0.00 -0.15 -0.60 0.00 0.00 0.00 0.00 47.33 46.58 2k1q h GLY 58 CO 0.00 0.13 -0.75 0.00 0.00 0.00 0.00 176.54 175.93 2k1q s ALA 59 N -2.83 1.90 1.00 3.60 0.00 -0.90 -4.89 121.76 119.65 2k1q s ALA 59 Ca -0.17 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 49.95 2k1q s ALA 59 Cb -0.01 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2k1q s ALA 59 CO 0.71 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 175.26 2k1q n GLY 60 N 4.69 -2.63 2.85 0.00 0.00 -1.07 -4.60 105.19 104.42 2k1q n GLY 60 Ca -0.01 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 2k1q n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k1q n SER 61 N -1.48 3.82 -4.16 1.61 3.41 -1.26 -4.81 113.62 110.75 2k1q n SER 61 Ca 0.00 -2.56 -0.11 0.00 -0.26 0.00 0.00 58.87 55.94 2k1q n SER 61 Cb 0.00 -1.18 -0.09 0.00 -0.26 0.00 0.00 64.21 62.68 2k1q n SER 61 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k1q s LYS 62 N 4.11 1.26 0.77 4.33 1.02 -1.26 -5.11 119.74 124.86 2k1q s LYS 62 Ca 0.50 -1.55 -0.11 0.00 0.02 0.00 0.00 55.97 54.84 2k1q s LYS 62 Cb 0.13 0.31 0.06 0.00 -0.52 0.00 0.00 37.83 37.81 2k1q s LYS 62 CO 0.03 -0.44 1.09 0.95 -0.92 0.00 0.00 175.35 176.07 2k1q s THR 63 N -4.13 3.34 -0.03 2.17 -4.23 -1.26 -4.67 115.64 106.83 2k1q s THR 63 Ca 0.35 0.44 0.05 0.00 -1.18 0.00 0.00 61.69 61.35 2k1q s THR 63 Cb 0.05 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 2k1q s THR 63 CO 0.11 -0.57 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.24 2k1q s LEU 64 N -5.90 2.59 -0.43 4.79 2.96 -0.86 -4.90 118.68 116.93 2k1q s LEU 64 Ca 0.61 -0.28 -0.17 0.00 -0.22 0.00 0.00 54.13 54.07 2k1q s LEU 64 Cb -0.17 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.03 2k1q s LEU 64 CO 0.56 0.33 0.44 0.00 -1.32 0.00 0.00 176.35 176.35 2k1q s ALA 65 N -0.74 3.43 0.52 5.97 0.00 -1.10 -1.19 121.76 128.65 2k1q s ALA 65 Ca 0.12 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2k1q s ALA 65 Cb -0.10 -3.06 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 2k1q s ALA 65 CO 0.01 -1.60 0.01 0.20 0.00 0.00 0.00 175.76 174.38 2k1q s GLY 66 N 1.86 3.11 0.39 0.00 0.00 -0.98 -1.79 107.32 109.89 2k1q s GLY 66 Ca 0.12 -0.07 0.09 0.00 0.00 0.00 0.00 44.72 44.85 2k1q s GLY 66 CO 0.13 -2.20 1.92 -0.56 0.00 0.00 0.00 173.10 172.40 2k1q h PRO 67 N 1.30 0.27 -0.05 2.90 0.13 -1.97 -2.30 132.00 132.29 2k1q h PRO 67 Ca -0.43 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2k1q h PRO 67 Cb 1.33 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2k1q h PRO 67 CO 0.72 0.39 -0.55 0.87 -0.23 0.00 0.00 178.00 179.19 2k1q h LYS 68 N 0.26 0.13 0.00 0.86 1.57 -1.95 -3.49 116.57 113.95 2k1q h LYS 68 Ca 0.06 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2k1q h LYS 68 Cb 0.34 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k1q h LYS 68 CO 0.02 0.65 0.00 0.41 -0.57 0.00 0.00 179.45 179.96 2k1q n GLY 69 N 0.10 0.96 3.76 3.86 0.00 -0.87 -5.07 105.19 107.93 2k1q n GLY 69 Ca -0.02 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.91 4.41 -0.10 1.61 0.04 -1.26 -2.33 135.00 135.46 2k1q s PRO 70 Ca 0.00 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.17 2k1q s PRO 70 Cb 0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2k1q s PRO 70 CO 0.00 -0.15 -0.24 0.42 0.04 0.00 0.00 177.00 177.07 2k1q s ILE 71 N -0.66 2.05 0.42 0.56 1.01 -0.33 -4.93 121.20 119.32 2k1q s ILE 71 Ca 0.51 -1.02 -0.21 0.00 0.00 0.00 0.00 60.65 59.94 2k1q s ILE 71 Cb -0.37 -1.77 -0.11 0.00 0.01 0.00 0.00 42.46 40.21 2k1q s ILE 71 CO 0.45 0.56 0.94 0.42 0.00 0.00 0.00 174.94 177.31 2k1q s THR 72 N 0.34 4.41 -0.04 2.92 -4.23 -1.26 -2.03 115.64 115.75 2k1q s THR 72 Ca -0.19 1.45 -0.03 0.00 -1.18 0.00 0.00 61.69 61.74 2k1q s THR 72 Cb -0.18 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 2k1q s THR 72 CO 0.09 -0.31 0.15 0.00 -0.54 0.00 0.00 174.62 174.01 2k1q s GLN 73 N -3.16 3.37 -0.01 3.99 -2.07 -1.26 -3.07 119.66 117.45 2k1q s GLN 73 Ca 0.61 -0.30 0.03 0.00 -1.82 0.00 0.00 55.36 53.88 2k1q s GLN 73 Cb -0.09 -3.07 -0.04 0.00 -1.09 0.00 0.00 33.01 28.71 2k1q s GLN 73 CO 0.13 0.70 0.06 -1.33 -1.32 0.00 0.00 175.29 173.53 2k1q n MET 74 N 1.26 0.70 -4.44 9.60 2.81 -0.74 -4.90 117.12 121.40 2k1q n MET 74 Ca -0.14 -0.02 -0.24 0.00 -1.81 0.00 0.00 57.70 55.49 2k1q n MET 74 Cb 0.53 -1.07 -0.13 0.00 -0.71 0.00 0.00 33.22 31.84 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 -2.18 1.72 -0.29 2.03 2.02 -1.09 -4.17 117.35 115.39 2k1q s TYR 75 Ca -0.01 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.13 2k1q s TYR 75 Cb 0.02 -0.99 0.15 0.00 -0.40 0.00 0.00 41.96 40.74 2k1q s TYR 75 CO 0.12 0.14 0.97 -0.08 -1.57 0.00 0.00 175.55 175.13 2k1q s THR 76 N -0.98 -0.02 -0.10 -0.71 -1.32 -1.25 -1.08 115.64 110.18 2k1q s THR 76 Ca 0.06 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.52 2k1q s THR 76 Cb -0.09 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.94 2k1q s THR 76 CO 0.03 0.00 0.04 0.21 -2.21 0.00 0.00 174.62 172.69 2k1q s ASN 77 N 1.37 1.79 -0.02 8.08 3.84 0.52 -4.96 114.94 125.57 2k1q s ASN 77 Ca -0.09 -0.24 -0.25 0.00 0.21 0.00 0.00 52.86 52.48 2k1q s ASN 77 Cb -0.04 -0.33 -0.20 0.00 -0.55 0.00 0.00 41.25 40.13 2k1q s ASN 77 CO -0.15 -0.26 1.27 0.58 -2.79 0.00 0.00 177.10 175.76 2k1q h VAL 78 N 6.41 1.39 -0.14 -5.21 2.07 -1.96 0.40 116.25 119.21 2k1q h VAL 78 Ca -0.16 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2k1q h VAL 78 Cb 1.13 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 2k1q h VAL 78 CO 0.24 0.31 0.09 0.44 0.02 0.00 0.00 177.57 178.67 2k1q h ASP 79 N -0.44 0.17 0.98 0.57 3.32 -1.98 -2.08 116.42 116.95 2k1q h ASP 79 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2k1q h ASP 79 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2k1q h ASP 79 CO 0.00 0.13 0.00 1.67 -1.72 0.00 0.00 179.24 179.33 2k1q n GLN 80 N -4.98 0.01 -3.69 3.56 7.27 -1.23 -4.93 117.38 113.38 2k1q n GLN 80 Ca -0.04 0.02 -0.21 0.00 0.07 0.00 0.00 57.00 56.84 2k1q n GLN 80 Cb 0.03 -1.51 0.03 0.00 2.41 0.00 0.00 30.24 31.21 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2k1q n ASP 81 N -1.52 -1.19 -3.76 1.69 2.03 0.13 -4.89 116.55 109.05 2k1q n ASP 81 Ca 0.07 -0.81 -0.14 0.00 0.52 0.00 0.00 54.79 54.43 2k1q n ASP 81 Cb 0.33 -4.10 -0.14 0.00 -0.72 0.00 0.00 41.12 36.49 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 -6.66 0.82 0.16 -2.67 1.43 -0.79 -1.06 118.68 109.92 2k1q s LEU 82 Ca 0.00 0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2k1q s LEU 82 Cb -0.00 0.34 -0.04 0.00 0.03 0.00 0.00 46.19 46.51 2k1q s LEU 82 CO 0.81 -0.14 -0.11 0.68 0.23 0.00 0.00 176.35 177.82 2k1q s VAL 83 N 1.06 1.35 0.07 -1.59 -7.23 -1.01 -0.35 120.40 112.70 2k1q s VAL 83 Ca -0.08 -2.11 -0.07 0.00 -1.81 0.00 0.00 61.98 57.91 2k1q s VAL 83 Cb -0.11 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 2k1q s VAL 83 CO -0.05 -0.70 0.13 -0.83 -0.31 0.00 0.00 175.10 173.34 2k1q s GLY 84 N -3.21 0.17 0.25 2.32 0.00 -0.24 -2.35 107.32 104.27 2k1q s GLY 84 Ca 0.18 -0.71 0.10 0.00 0.00 0.00 0.00 44.72 44.30 2k1q s GLY 84 CO 0.02 -0.87 -0.18 -0.98 0.00 0.00 0.00 173.10 171.09 2k1q s TRP 85 N -3.64 2.07 -0.51 1.90 0.51 -1.07 -1.80 118.94 116.40 2k1q s TRP 85 Ca 0.04 -0.42 -0.28 0.00 -2.12 0.00 0.00 56.10 53.31 2k1q s TRP 85 Cb 0.04 -0.92 0.02 0.00 -0.81 0.00 0.00 33.47 31.81 2k1q s TRP 85 CO -0.10 0.58 1.29 -1.14 -0.51 0.00 0.00 176.95 177.08 2k1q s GLN 86 N -3.56 3.52 0.26 4.98 0.74 -1.17 -2.42 119.66 122.00 2k1q s GLN 86 Ca 0.27 0.55 -0.29 0.00 0.05 0.00 0.00 55.36 55.94 2k1q s GLN 86 Cb -0.03 -4.02 -0.09 0.00 1.10 0.00 0.00 33.01 29.96 2k1q s GLN 86 CO 0.12 -1.65 1.24 0.00 -0.55 0.00 0.00 175.29 174.44 2k1q s ALA 87 N 5.25 3.47 0.74 1.58 0.00 -1.18 -4.90 121.76 126.73 2k1q s ALA 87 Ca 0.51 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 53.44 2k1q s ALA 87 Cb -0.10 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.64 2k1q s ALA 87 CO 0.29 -0.44 1.09 -1.25 0.00 0.00 0.00 175.76 175.45 2k1q s PRO 88 N -1.04 2.42 0.46 0.00 0.04 -1.26 -4.92 135.00 130.70 2k1q s PRO 88 Ca 0.50 1.21 -0.23 0.00 0.04 0.00 0.00 61.00 62.53 2k1q s PRO 88 Cb -0.36 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 2k1q s PRO 88 CO 0.44 -1.52 1.17 -1.25 0.04 0.00 0.00 177.00 175.87 2k1q s PRO 89 N -4.71 3.74 0.00 0.56 0.04 -1.26 -3.10 135.00 130.27 2k1q s PRO 89 Ca 0.62 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2k1q s PRO 89 Cb -0.18 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.97 2k1q s PRO 89 CO 0.52 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.41 2k1q n GLY 90 N 0.44 3.18 3.77 0.56 0.00 -1.26 -4.92 105.19 106.96 2k1q n GLY 90 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.99 3.48 0.56 4.61 0.00 -1.18 -4.51 121.76 121.73 2k1q s ALA 91 Ca 0.00 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 2k1q s ALA 91 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 2k1q s ALA 91 CO 0.00 -0.57 0.96 0.50 0.00 0.00 0.00 175.76 176.65 2k1q s ARG 92 N -1.75 3.66 0.30 0.00 3.52 -1.26 -4.88 118.95 118.54 2k1q s ARG 92 Ca 0.48 0.66 0.03 0.00 -0.13 0.00 0.00 55.73 56.78 2k1q s ARG 92 Cb -0.38 -2.17 -0.06 0.00 -1.56 0.00 0.00 34.95 30.78 2k1q s ARG 92 CO 0.51 -0.41 0.07 -1.54 -0.81 0.00 0.00 175.30 173.12 2k1q s SER 93 N -3.89 2.00 -0.15 -2.12 1.04 -1.26 -4.34 113.70 104.98 2k1q s SER 93 Ca 0.54 -1.37 -0.05 0.00 0.48 0.00 0.00 55.95 55.55 2k1q s SER 93 Cb -0.11 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 2k1q s SER 93 CO 0.47 -0.64 0.02 -0.76 0.98 0.00 0.00 173.24 173.31 2k1q s LEU 94 N -3.43 3.59 0.72 2.42 1.43 -0.46 -4.90 118.68 118.06 2k1q s LEU 94 Ca 0.37 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 2k1q s LEU 94 Cb 0.08 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.45 2k1q s LEU 94 CO 0.15 0.21 1.07 0.42 0.23 0.00 0.00 176.35 178.43 2k1q s THR 95 N 0.11 3.85 0.68 5.49 -4.23 -1.26 -4.32 115.64 115.96 2k1q s THR 95 Ca 0.02 0.60 -0.11 0.00 -1.18 0.00 0.00 61.69 61.02 2k1q s THR 95 Cb -0.13 -3.28 -0.00 0.00 1.34 0.00 0.00 72.50 70.44 2k1q s THR 95 CO 0.02 -0.78 1.06 -2.16 -0.54 0.00 0.00 174.62 172.21 2k1q s PRO 96 N -5.01 3.06 0.06 3.99 0.04 -1.26 0.57 135.00 136.45 2k1q s PRO 96 Ca 0.59 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 62.11 2k1q s PRO 96 Cb -0.15 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 2k1q s PRO 96 CO 0.55 -0.97 1.20 0.00 0.04 0.00 0.00 177.00 177.83 2k1q n THR 98 N 3.94 1.28 -0.37 0.00 -2.24 -1.26 -4.81 114.28 110.83 2k1q n THR 98 Ca 0.09 -4.23 0.00 0.00 -2.27 0.00 0.00 64.05 57.64 2k1q n THR 98 Cb 0.46 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.50 3.59 0.00 0.00 -1.26 -4.96 105.19 102.05 2k1q n GLY 100 Ca 0.00 0.22 -0.38 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 -3.59 6.02 0.21 1.61 0.15 -1.26 -4.97 113.70 111.88 2k1q s SER 101 Ca 0.44 -0.01 -0.08 0.00 0.70 0.00 0.00 55.95 57.00 2k1q s SER 101 Cb -0.19 -2.12 0.16 0.00 -1.71 0.00 0.00 66.02 62.15 2k1q s SER 101 CO 0.73 -0.05 1.78 0.28 1.20 0.00 0.00 173.24 177.17 2k1q h SER 102 N 8.37 1.11 -2.69 5.45 0.02 -1.93 -3.43 113.55 120.46 2k1q h SER 102 Ca -0.35 -0.18 -0.52 0.00 -0.84 0.00 0.00 61.79 59.90 2k1q h SER 102 Cb 1.19 -0.29 0.06 0.00 0.14 0.00 0.00 62.40 63.50 2k1q h SER 102 CO 0.55 0.99 1.00 -0.62 -1.14 0.00 0.00 176.83 177.60 2k1q s ASP 103 N -6.37 6.41 0.06 3.07 -1.08 -1.26 -0.46 116.67 117.04 2k1q s ASP 103 Ca -0.12 2.84 0.04 0.00 -0.52 0.00 0.00 52.55 54.78 2k1q s ASP 103 Cb 0.16 -2.60 -0.03 0.00 -1.46 0.00 0.00 42.92 38.99 2k1q s ASP 103 CO 0.84 -0.95 -0.11 -0.76 0.52 0.00 0.00 175.17 174.70 2k1q s LEU 104 N 1.18 2.27 -0.19 -1.34 1.43 0.25 -4.28 118.68 118.01 2k1q s LEU 104 Ca 0.74 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2k1q s LEU 104 Cb -0.49 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.38 2k1q s LEU 104 CO 0.32 -0.14 -0.12 -0.31 0.23 0.00 0.00 176.35 176.33 2k1q s TYR 105 N -1.36 2.86 -0.05 0.29 2.02 -0.57 -0.91 117.35 119.63 2k1q s TYR 105 Ca -0.05 -1.20 -0.04 0.00 -0.37 0.00 0.00 57.07 55.41 2k1q s TYR 105 Cb -0.10 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 2k1q s TYR 105 CO 0.01 -0.62 0.14 -1.17 -1.57 0.00 0.00 175.55 172.35 2k1q s LEU 106 N 1.25 4.26 -0.16 -1.29 2.96 -1.04 -0.74 118.68 123.92 2k1q s LEU 106 Ca 0.03 0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 2k1q s LEU 106 Cb -0.14 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 2k1q s LEU 106 CO -0.06 0.32 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.57 2k1q s VAL 107 N -1.19 3.92 0.56 1.68 1.01 -1.22 -2.43 120.40 122.72 2k1q s VAL 107 Ca 0.22 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.93 2k1q s VAL 107 Cb -0.12 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.59 2k1q s VAL 107 CO 0.13 0.48 0.55 0.42 0.00 0.00 0.00 175.10 176.68 2k1q s THR 108 N 0.46 1.80 0.55 3.92 -4.23 -1.21 -4.63 115.64 112.29 2k1q s THR 108 Ca -0.03 -1.31 0.21 0.00 -1.18 0.00 0.00 61.69 59.38 2k1q s THR 108 Cb -0.14 -2.11 0.30 0.00 1.34 0.00 0.00 72.50 71.89 2k1q s THR 108 CO 0.03 0.00 2.19 0.03 -0.54 0.00 0.00 174.62 176.33 2k1q h ARG 109 N 0.53 0.00 -0.75 3.99 3.08 -1.92 -1.05 114.38 118.27 2k1q h ARG 109 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2k1q h ARG 109 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2k1q h ARG 109 CO 0.51 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 180.13 2k1q n HIS 110 N -4.28 1.03 -3.91 3.04 8.25 -1.26 -4.89 115.22 113.20 2k1q n HIS 110 Ca -0.03 -0.36 -0.30 0.00 -0.26 0.00 0.00 57.72 56.76 2k1q n HIS 110 Cb 0.09 -0.29 0.03 0.00 1.12 0.00 0.00 29.99 30.94 2k1q n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k1q n ALA 111 N 0.35 -1.28 -2.87 -1.41 0.00 -0.40 -4.96 120.51 109.95 2k1q n ALA 111 Ca 0.14 0.21 -0.37 0.00 0.00 0.00 0.00 53.44 53.42 2k1q n ALA 111 Cb 0.71 -4.56 -0.06 0.00 0.00 0.00 0.00 19.45 15.53 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 -3.30 6.35 -0.31 0.00 1.01 -1.26 -4.89 116.67 114.28 2k1q s ASP 112 Ca 0.67 0.45 -0.17 0.00 0.71 0.00 0.00 52.55 54.20 2k1q s ASP 112 Cb -0.33 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 2k1q s ASP 112 CO 0.83 0.39 0.48 -0.69 0.21 0.00 0.00 175.17 176.40 2k1q s VAL 113 N -0.94 5.06 -0.35 -1.27 1.01 -1.26 -3.31 120.40 119.35 2k1q s VAL 113 Ca 0.14 0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 2k1q s VAL 113 Cb -0.12 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2k1q s VAL 113 CO 0.04 -0.05 0.15 -0.63 0.00 0.00 0.00 175.10 174.60 2k1q s ILE 114 N 2.30 4.10 -0.18 2.22 1.01 -1.02 -4.92 121.20 124.70 2k1q s ILE 114 Ca 0.19 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.52 2k1q s ILE 114 Cb -0.16 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2k1q s ILE 114 CO 0.11 -0.20 1.58 -2.16 0.00 0.00 0.00 174.94 174.27 2k1q s PRO 115 N 1.46 3.92 -0.14 2.79 0.04 -1.26 -2.51 135.00 139.30 2k1q s PRO 115 Ca -0.00 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.82 2k1q s PRO 115 Cb -0.19 -4.00 0.01 0.00 0.04 0.00 0.00 34.50 30.36 2k1q s PRO 115 CO 0.04 -1.15 -0.22 0.08 0.04 0.00 0.00 177.00 175.80 2k1q s VAL 116 N 4.79 2.06 -0.06 -0.36 1.01 -0.08 -3.88 120.40 123.87 2k1q s VAL 116 Ca 0.70 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 2k1q s VAL 116 Cb -0.26 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2k1q s VAL 116 CO 0.28 0.55 0.72 -0.60 0.00 0.00 0.00 175.10 176.04 2k1q s ARG 117 N 0.80 4.44 0.11 2.72 6.06 -1.15 -0.58 118.95 131.35 2k1q s ARG 117 Ca -0.07 0.91 -0.31 0.00 -2.50 0.00 0.00 55.73 53.75 2k1q s ARG 117 Cb -0.16 -3.45 -0.09 0.00 0.06 0.00 0.00 34.95 31.32 2k1q s ARG 117 CO -0.02 0.06 1.56 0.50 -2.50 0.00 0.00 175.30 174.90 2k1q s ARG 118 N 0.80 4.23 -0.08 5.12 3.52 0.39 -1.69 118.95 131.25 2k1q s ARG 118 Ca 0.38 2.27 0.12 0.00 -0.13 0.00 0.00 55.73 58.37 2k1q s ARG 118 Cb -0.18 -3.36 0.21 0.00 -1.56 0.00 0.00 34.95 30.06 2k1q s ARG 118 CO 0.19 -0.62 1.10 0.54 -0.81 0.00 0.00 175.30 175.70 2k1q n ARG 119 N 4.65 0.70 -3.42 5.12 5.12 -0.80 -4.89 116.66 123.13 2k1q n ARG 119 Ca 0.14 -2.01 0.00 0.00 -1.93 0.00 0.00 57.85 54.06 2k1q n ARG 119 Cb 0.40 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 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 -0.65 -1.86 0.28 -0.13 0.00 -0.84 -4.80 105.19 97.18 2k1q n GLY 120 Ca 0.09 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 2k1q n GLY 120 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k1q h ASP 121 N 0.00 0.98 0.00 1.61 1.82 -1.98 -3.33 116.42 115.51 2k1q h ASP 121 Ca 0.00 -0.36 -0.03 0.00 -0.39 0.00 0.00 57.03 56.25 2k1q h ASP 121 Cb 0.00 -0.27 -0.06 0.00 0.68 0.00 0.00 39.33 39.69 2k1q h ASP 121 CO 0.00 1.12 -0.42 -1.54 -1.61 0.00 0.00 179.24 176.78 2k1q n SER 122 N -4.18 1.06 -4.11 2.28 3.41 -1.26 -4.48 113.62 106.33 2k1q n SER 122 Ca 0.01 -2.54 -0.14 0.00 -0.26 0.00 0.00 58.87 55.93 2k1q n SER 122 Cb 0.41 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.24 0.67 0.14 4.33 3.00 -1.25 -1.15 118.95 123.46 2k1q s ARG 123 Ca 0.19 -0.93 0.00 0.00 -1.00 0.00 0.00 55.73 54.00 2k1q s ARG 123 Cb 0.18 -0.43 -0.00 0.00 0.00 0.00 0.00 34.95 34.70 2k1q s ARG 123 CO -0.02 0.08 0.18 0.41 0.00 0.00 0.00 175.30 175.94 2k1q n GLY 124 N 1.12 2.93 3.32 8.12 0.00 0.44 -1.91 105.19 119.21 2k1q n GLY 124 Ca -0.20 -1.55 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 2k1q n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1q s SER 125 N -1.91 2.60 -0.28 1.61 1.04 -0.68 -2.42 113.70 113.66 2k1q s SER 125 Ca 0.13 -0.85 -0.11 0.00 0.48 0.00 0.00 55.95 55.60 2k1q s SER 125 Cb -0.00 -0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 2k1q s SER 125 CO 0.09 -0.04 0.19 -0.22 0.98 0.00 0.00 173.24 174.24 2k1q s LEU 126 N -2.61 4.02 0.22 2.42 2.96 0.30 -2.95 118.68 123.04 2k1q s LEU 126 Ca 0.15 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 2k1q s LEU 126 Cb -0.06 -2.12 0.22 0.00 0.50 0.00 0.00 46.19 44.73 2k1q s LEU 126 CO 0.06 -0.05 1.62 -0.07 -1.32 0.00 0.00 176.35 176.59 2k1q h LEU 127 N 8.37 0.68 -8.24 -0.68 4.07 -1.84 -3.40 115.31 114.27 2k1q h LEU 127 Ca -0.35 -0.27 -0.68 0.00 0.08 0.00 0.00 57.88 56.66 2k1q h LEU 127 Cb 1.19 -0.19 -0.29 0.00 1.08 0.00 0.00 40.66 42.45 2k1q h LEU 127 CO 0.55 0.94 -0.66 -0.55 -1.08 0.00 0.00 178.44 177.64 2k1q s SER 128 N -6.80 4.96 -0.11 -0.43 0.15 -1.26 -5.06 113.70 105.15 2k1q s SER 128 Ca -0.08 -0.93 -0.29 0.00 0.70 0.00 0.00 55.95 55.35 2k1q s SER 128 Cb 0.13 -1.81 -0.06 0.00 -1.71 0.00 0.00 66.02 62.58 2k1q s SER 128 CO 0.83 -0.22 1.85 -2.16 1.20 0.00 0.00 173.24 174.74 2k1q s PRO 129 N 1.40 3.85 0.19 5.44 0.04 -1.26 -4.97 135.00 139.69 2k1q s PRO 129 Ca -0.00 2.14 0.07 0.00 0.04 0.00 0.00 61.00 63.24 2k1q s PRO 129 Cb -0.18 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 2k1q s PRO 129 CO 0.01 -1.26 -0.13 1.03 0.04 0.00 0.00 177.00 176.68 2k1q s ARG 130 N 4.81 1.25 0.75 4.56 0.52 -1.23 -4.97 118.95 124.64 2k1q s ARG 130 Ca 0.83 -1.55 -0.13 0.00 -0.52 0.00 0.00 55.73 54.36 2k1q s ARG 130 Cb -0.34 -0.97 0.05 0.00 0.52 0.00 0.00 34.95 34.21 2k1q s ARG 130 CO 0.34 0.15 1.13 -1.25 0.02 0.00 0.00 175.30 175.70 2k1q s PRO 131 N -3.68 2.21 0.50 3.54 0.04 -1.26 -1.78 135.00 134.57 2k1q s PRO 131 Ca 0.21 1.43 0.26 0.00 0.04 0.00 0.00 61.00 62.94 2k1q s PRO 131 Cb 0.00 -1.87 1.33 0.00 0.04 0.00 0.00 34.50 34.00 2k1q s PRO 131 CO 0.05 -1.71 2.02 -0.39 0.04 0.00 0.00 177.00 177.01 2k1q h VAL 132 N -0.69 0.58 -0.85 -0.36 -1.51 -1.83 -2.77 116.25 108.82 2k1q h VAL 132 Ca -0.45 -0.66 0.01 0.00 -1.23 0.00 0.00 66.70 64.37 2k1q h VAL 132 Cb 1.26 1.43 -0.04 0.00 -2.13 0.00 0.00 31.29 31.80 2k1q h VAL 132 CO 0.50 0.14 0.57 -1.28 -1.23 0.00 0.00 177.57 176.27 2k1q h SER 133 N 0.00 0.97 -1.00 4.19 0.87 -1.91 -0.80 113.55 115.88 2k1q h SER 133 Ca -0.00 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2k1q h SER 133 Cb 0.42 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 2k1q h SER 133 CO 0.02 0.70 0.66 0.22 -0.53 0.00 0.00 176.83 177.90 2k1q h TYR 134 N 1.15 1.26 0.00 2.24 3.20 -1.86 -2.05 116.97 120.90 2k1q h TYR 134 Ca 0.32 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.21 2k1q h TYR 134 Cb -0.12 -0.43 0.00 0.00 1.54 0.00 0.00 36.73 37.73 2k1q h TYR 134 CO -0.00 0.79 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.98 2k1q h LEU 135 N 1.36 0.00 -9.91 2.82 4.07 -1.53 -3.45 115.31 108.66 2k1q h LEU 135 Ca 0.37 -0.05 -0.53 0.00 0.08 0.00 0.00 57.88 57.75 2k1q h LEU 135 Cb -0.16 0.00 0.09 0.00 1.08 0.00 0.00 40.66 41.67 2k1q h LEU 135 CO -0.08 0.02 0.71 -0.54 -1.08 0.00 0.00 178.44 177.48 2k1q s LYS 136 N -3.18 4.23 0.00 1.13 -0.14 -0.36 -1.98 119.74 119.44 2k1q s LYS 136 Ca 0.07 2.40 0.00 0.00 -1.36 0.00 0.00 55.97 57.08 2k1q s LYS 136 Cb 0.10 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 2k1q s LYS 136 CO 0.67 -0.37 0.00 0.41 -0.76 0.00 0.00 175.35 175.30 2k1q n GLY 137 N 0.62 0.68 0.74 -3.33 0.00 -1.26 -4.88 105.19 97.76 2k1q n GLY 137 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2k1q n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1q n SER 138 N -0.01 3.58 -4.78 1.61 7.64 -0.84 -4.22 113.62 116.61 2k1q n SER 138 Ca 0.00 -2.98 -0.36 0.00 1.01 0.00 0.00 58.87 56.54 2k1q n SER 138 Cb 0.01 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 2k1q n SER 138 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k1q s SER 139 N -2.04 6.26 0.00 6.43 0.15 -1.26 -3.05 113.70 120.18 2k1q s SER 139 Ca 0.39 2.13 0.00 0.00 0.70 0.00 0.00 55.95 59.17 2k1q s SER 139 Cb 0.32 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2k1q s SER 139 CO 0.08 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2k1q n GLY 140 N 0.20 2.40 3.78 9.45 0.00 -1.07 -2.38 105.19 117.56 2k1q n GLY 140 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.03 2.94 0.27 -0.02 0.00 -1.17 -3.35 107.32 103.95 2k1q s GLY 141 Ca 0.00 1.60 -0.14 0.00 0.00 0.00 0.00 44.72 46.18 2k1q s GLY 141 CO 0.00 2.29 0.66 2.56 0.00 0.00 0.00 173.10 178.61 2k1q s PRO 142 N -2.11 3.96 -0.25 2.90 0.04 -1.26 -1.54 135.00 136.73 2k1q s PRO 142 Ca 0.53 0.55 -0.08 0.00 0.04 0.00 0.00 61.00 62.04 2k1q s PRO 142 Cb -0.47 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 2k1q s PRO 142 CO 0.64 0.26 0.08 -0.51 0.04 0.00 0.00 177.00 177.51 2k1q s LEU 143 N -2.73 3.49 -0.15 -3.56 1.02 -0.07 -3.45 118.68 113.23 2k1q s LEU 143 Ca 0.49 -0.19 -0.03 0.00 0.02 0.00 0.00 54.13 54.42 2k1q s LEU 143 Cb -0.12 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.12 2k1q s LEU 143 CO 0.19 -0.04 -0.03 -0.76 0.02 0.00 0.00 176.35 175.73 2k1q s LEU 144 N 1.63 3.29 0.77 1.79 1.02 0.08 -0.17 118.68 127.09 2k1q s LEU 144 Ca 0.06 -0.10 -0.11 0.00 0.02 0.00 0.00 54.13 54.01 2k1q s LEU 144 Cb -0.15 -1.79 0.06 0.00 0.02 0.00 0.00 46.19 44.33 2k1q s LEU 144 CO 0.04 0.19 1.09 0.00 0.02 0.00 0.00 176.35 177.70 2k1q h PRO 146 N -1.11 0.00 -0.61 0.00 0.13 -1.92 0.32 132.00 128.81 2k1q h PRO 146 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 2k1q h PRO 146 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2k1q h PRO 146 CO 0.51 0.00 -0.01 1.03 -0.23 0.00 0.00 178.00 179.30 2k1q h SER 147 N 0.00 1.06 0.00 1.44 0.87 -1.95 -3.47 113.55 111.50 2k1q h SER 147 Ca 0.12 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2k1q h SER 147 Cb 1.06 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2k1q h SER 147 CO -0.00 1.12 0.00 0.61 -0.53 0.00 0.00 176.83 178.02 2k1q n GLY 148 N -0.40 1.51 3.10 5.77 0.00 0.10 -5.15 105.19 110.13 2k1q n GLY 148 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.97 1.03 0.28 1.61 3.76 -1.25 -4.83 115.29 113.92 2k1q s HIS 149 Ca 0.00 -0.32 -0.29 0.00 -0.15 0.00 0.00 55.06 54.30 2k1q s HIS 149 Cb 0.00 -0.62 -0.10 0.00 1.11 0.00 0.00 32.58 32.97 2k1q s HIS 149 CO 0.00 0.00 1.24 0.00 -0.85 0.00 0.00 174.74 175.14 2k1q s ALA 150 N -0.74 3.47 -0.01 -1.40 0.00 0.19 -1.70 121.76 121.58 2k1q s ALA 150 Ca 0.00 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.09 2k1q s ALA 150 Cb -0.07 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 2k1q s ALA 150 CO 0.01 -0.46 0.04 1.55 0.00 0.00 0.00 175.76 176.89 2k1q n VAL 151 N 1.35 0.03 -1.92 0.00 3.14 0.76 0.56 118.33 122.25 2k1q n VAL 151 Ca 0.01 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2k1q n VAL 151 Cb 0.43 0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 2k1q n VAL 151 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k1q n GLY 152 N 2.47 -1.23 3.06 7.55 0.00 -1.24 -1.29 105.19 114.51 2k1q n GLY 152 Ca -0.01 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.62 0.87 0.37 -0.61 1.01 -0.67 -0.90 121.20 118.64 2k1q s ILE 153 Ca 0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 59.90 2k1q s ILE 153 Cb 0.00 -0.72 -0.11 0.00 0.01 0.00 0.00 42.46 41.64 2k1q s ILE 153 CO 0.00 0.25 1.48 0.12 0.00 0.00 0.00 174.94 176.79 2k1q s PHE 154 N -0.26 2.63 0.02 3.97 5.36 -0.59 -1.24 117.98 127.88 2k1q s PHE 154 Ca 0.04 1.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.17 2k1q s PHE 154 Cb -0.04 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 2k1q s PHE 154 CO -0.00 -2.95 0.00 -2.13 -1.46 0.00 0.00 175.22 168.68 2k1q n ARG 155 N 0.61 0.00 -3.63 10.12 0.63 -0.38 -2.58 116.66 121.43 2k1q n ARG 155 Ca 0.01 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.84 2k1q n ARG 155 Cb 0.39 -0.49 -0.04 0.00 0.45 0.00 0.00 32.46 32.76 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 -2.00 -0.97 0.16 5.13 0.00 -1.19 -4.92 121.76 117.97 2k1q s ALA 156 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 51.99 2k1q s ALA 156 Cb 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2k1q s ALA 156 CO 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 175.76 175.10 2k1q s ALA 157 N -3.81 3.25 -0.24 0.00 0.00 -1.26 -1.41 121.76 118.29 2k1q s ALA 157 Ca 0.04 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 2k1q s ALA 157 Cb 0.01 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 2k1q s ALA 157 CO -0.11 0.52 0.00 0.08 0.00 0.00 0.00 175.76 176.25 2k1q s VAL 158 N -1.66 3.68 0.08 0.00 1.01 -0.35 -4.95 120.40 118.21 2k1q s VAL 158 Ca 0.27 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2k1q s VAL 158 Cb -0.10 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2k1q s VAL 158 CO 0.19 0.35 -0.06 0.00 0.00 0.00 0.00 175.10 175.58 2k1q n THR 160 N 0.21 1.52 -3.12 0.00 -2.24 -0.93 -4.83 114.28 104.89 2k1q n THR 160 Ca -0.14 -0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.20 2k1q n THR 160 Cb 0.60 -1.99 -0.02 0.00 -2.10 0.00 0.00 70.33 66.82 2k1q n THR 160 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k1q n ARG 161 N -4.31 0.90 -0.06 -0.78 1.74 -1.26 -4.89 116.66 108.00 2k1q n ARG 161 Ca -0.45 -3.12 0.00 0.00 -0.77 0.00 0.00 57.85 53.51 2k1q n ARG 161 Cb 0.80 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 2k1q n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k1q n GLY 162 N 0.64 1.41 3.29 -0.13 0.00 -1.26 -5.02 105.19 104.12 2k1q n GLY 162 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.56 2.78 -0.18 1.61 1.01 -1.26 -2.42 120.40 119.38 2k1q s VAL 163 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 2k1q s VAL 163 Cb 0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 2k1q s VAL 163 CO 0.00 0.51 0.12 0.00 0.00 0.00 0.00 175.10 175.74 2k1q s ALA 164 N 0.71 3.68 -0.15 5.51 0.00 -0.74 -2.20 121.76 128.57 2k1q s ALA 164 Ca -0.07 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.27 2k1q s ALA 164 Cb -0.16 -2.10 -0.09 0.00 0.00 0.00 0.00 23.12 20.78 2k1q s ALA 164 CO 0.02 0.24 0.21 1.63 0.00 0.00 0.00 175.76 177.86 2k1q n LYS 165 N 3.26 2.30 -4.04 0.00 5.02 -0.84 -3.58 118.16 120.28 2k1q n LYS 165 Ca -0.17 -0.03 -0.08 0.00 -2.02 0.00 0.00 58.31 56.01 2k1q n LYS 165 Cb 0.53 -1.01 -0.10 0.00 -0.02 0.00 0.00 35.03 34.43 2k1q n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k1q s ALA 166 N -2.09 0.34 0.16 7.82 0.00 -1.23 0.11 121.76 126.87 2k1q s ALA 166 Ca -0.00 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2k1q s ALA 166 Cb 0.05 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2k1q s ALA 166 CO 0.28 -0.36 -0.11 0.14 0.00 0.00 0.00 175.76 175.70 2k1q s VAL 167 N -3.59 1.34 -0.04 0.00 -7.23 -1.02 -1.21 120.40 108.65 2k1q s VAL 167 Ca 0.04 -2.11 0.05 0.00 -1.81 0.00 0.00 61.98 58.15 2k1q s VAL 167 Cb 0.05 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 2k1q s VAL 167 CO -0.09 -0.70 -0.21 -0.62 -0.31 0.00 0.00 175.10 173.17 2k1q s ASP 168 N -3.21 2.60 0.06 4.85 -1.08 -0.50 -0.42 116.67 118.97 2k1q s ASP 168 Ca 0.18 -0.43 -0.00 0.00 -0.52 0.00 0.00 52.55 51.78 2k1q s ASP 168 Cb 0.02 -0.65 -0.04 0.00 -1.46 0.00 0.00 42.92 40.79 2k1q s ASP 168 CO 0.02 0.21 -0.04 0.72 0.52 0.00 0.00 175.17 176.61 2k1q s PHE 169 N -0.14 0.60 -0.24 -5.34 -0.12 -0.30 -1.25 117.98 111.19 2k1q s PHE 169 Ca -0.02 -1.04 -0.11 0.00 -0.05 0.00 0.00 56.93 55.72 2k1q s PHE 169 Cb -0.12 -0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 41.80 2k1q s PHE 169 CO 0.02 -0.33 0.17 0.08 -0.05 0.00 0.00 175.22 175.11 2k1q s VAL 170 N -3.86 5.35 0.53 -2.49 1.01 -0.37 -4.40 120.40 116.18 2k1q s VAL 170 Ca 0.08 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 2k1q s VAL 170 Cb 0.07 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2k1q s VAL 170 CO -0.09 0.34 1.24 -2.16 0.00 0.00 0.00 175.10 174.43 2k1q s PRO 171 N 1.12 3.30 0.59 2.72 0.04 -1.26 -1.67 135.00 139.84 2k1q s PRO 171 Ca 0.08 1.94 0.31 0.00 0.04 0.00 0.00 61.00 63.37 2k1q s PRO 171 Cb -0.14 -2.20 1.84 0.00 0.04 0.00 0.00 34.50 34.05 2k1q s PRO 171 CO 0.05 -0.97 2.25 -0.39 0.04 0.00 0.00 177.00 177.98 2k1q h VAL 172 N 1.41 0.48 -0.98 -0.36 -1.51 -1.54 -2.39 116.25 111.36 2k1q h VAL 172 Ca -0.50 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 2k1q h VAL 172 Cb 1.28 1.04 -0.05 0.00 -2.13 0.00 0.00 31.29 31.44 2k1q h VAL 172 CO 0.58 0.01 0.61 -0.33 -1.23 0.00 0.00 177.57 177.21 2k1q h GLU 173 N 0.00 1.31 -0.61 5.19 5.08 -1.90 -2.61 114.58 121.05 2k1q h GLU 173 Ca -0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2k1q h GLU 173 Cb 0.04 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2k1q h GLU 173 CO 0.00 0.89 0.33 0.66 -1.00 0.00 0.00 179.01 179.89 2k1q h SER 174 N 1.34 0.76 -0.78 1.42 4.64 -1.80 -2.62 113.55 116.51 2k1q h SER 174 Ca 0.35 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 2k1q h SER 174 Cb -0.10 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.76 2k1q h SER 174 CO -0.07 0.64 0.29 0.24 -0.87 0.00 0.00 176.83 177.05 2k1q h MET 175 N 0.82 1.19 -0.98 4.77 2.86 -1.59 -2.31 114.93 119.69 2k1q h MET 175 Ca 0.21 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k1q h MET 175 Cb 0.05 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.48 2k1q h MET 175 CO -0.03 0.98 0.62 1.49 1.06 0.00 0.00 176.91 181.03 2k1q h GLU 176 N 1.15 1.31 0.00 1.72 4.81 -1.19 -1.68 114.58 120.70 2k1q h GLU 176 Ca 0.26 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2k1q h GLU 176 Cb 0.25 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2k1q h GLU 176 CO -0.02 0.89 -0.31 1.15 -0.73 0.00 0.00 179.01 179.99 2k1q h THR 177 N 1.34 0.84 -0.93 0.32 2.02 -1.12 -3.08 112.91 112.30 2k1q h THR 177 Ca 0.36 -1.27 0.01 0.00 0.77 0.00 0.00 66.41 66.28 2k1q h THR 177 Cb -0.11 1.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 2k1q h THR 177 CO -0.07 0.31 0.61 0.74 0.37 0.00 0.00 175.52 177.48 2k1q h THR 178 N 0.00 1.23 -0.42 3.16 2.02 -0.76 0.18 112.91 118.33 2k1q h THR 178 Ca -0.00 -0.43 -0.15 0.00 0.77 0.00 0.00 66.41 66.60 2k1q h THR 178 Cb 0.75 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2k1q h THR 178 CO 0.04 0.23 -0.32 0.24 0.37 0.00 0.00 175.52 176.08 2k1q h MET 179 N 1.25 0.96 -0.37 6.66 2.07 -1.54 -2.64 114.93 121.33 2k1q h MET 179 Ca 0.34 -0.47 -0.17 0.00 -2.07 0.00 0.00 59.70 57.34 2k1q h MET 179 Cb -0.14 -0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.58 2k1q h MET 179 CO -0.08 1.13 -0.41 -0.09 1.07 0.00 0.00 176.91 178.54 2k1q h ARG 180 N 0.80 0.94 -0.01 1.72 2.43 -1.47 -3.24 114.38 115.55 2k1q h ARG 180 Ca 0.08 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2k1q h ARG 180 Cb 0.91 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2k1q h ARG 180 CO 0.08 1.17 0.00 0.00 -1.51 0.00 0.00 179.97 179.71 2k1q h ALA 181 N 0.76 0.01 -2.84 2.80 0.00 -0.61 -3.46 119.26 115.92 2k1q h ALA 181 Ca 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2k1q h ALA 181 Cb 1.01 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 2k1q h ALA 181 CO 0.10 -0.49 0.03 0.45 0.00 0.00 0.00 179.25 179.34 2k1q s SER 182 N -5.20 -0.35 0.00 0.00 0.15 -1.00 -5.07 113.70 102.23 2k1q s SER 182 Ca -0.13 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2k1q s SER 182 Cb 0.06 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2k1q s SER 182 CO 0.66 -0.89 0.00 1.17 1.20 0.00 0.00 173.24 175.38 2k1q n LYS 183 N -0.28 3.29 -0.38 5.44 4.81 -1.26 -4.26 118.16 125.52 2k1q n LYS 183 Ca -0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.26 2k1q n LYS 183 Cb 0.64 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.80 2k1q n LYS 183 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2k1q h LYS 184 N 0.00 1.33 0.00 1.64 3.64 -1.96 -3.16 116.57 118.05 2k1q h LYS 184 Ca 0.00 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2k1q h LYS 184 Cb 0.00 -0.30 -0.13 0.00 -0.41 0.00 0.00 32.23 31.40 2k1q h LYS 184 CO 0.00 0.88 -0.62 0.36 -2.27 0.00 0.00 179.45 177.80 2k1q n LYS 185 N -4.38 0.92 -0.41 1.90 2.85 -1.26 -5.01 118.16 112.77 2k1q n LYS 185 Ca 0.12 -2.63 0.00 0.00 -1.05 0.00 0.00 58.31 54.75 2k1q n LYS 185 Cb 0.01 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 2k1q n LYS 185 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52