#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1q s GLY 23 N 0.00 1.61 0.24 1.09 0.00 -1.26 -4.96 107.32 104.04 2k1q s GLY 23 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 43.95 2k1q s GLY 23 CO 0.00 -0.18 1.91 -0.09 0.00 0.00 0.00 173.10 174.74 2k1q h ARG 24 N -1.12 1.22 0.00 2.90 2.43 -2.08 -3.38 114.38 114.36 2k1q h ARG 24 Ca -0.46 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.47 2k1q h ARG 24 Cb 1.32 -0.28 -0.15 0.00 -0.42 0.00 0.00 29.97 30.45 2k1q h ARG 24 CO 0.64 0.81 -0.27 -3.47 -1.51 0.00 0.00 179.97 176.17 2k1q n ASP 25 N -4.44 -1.45 -0.12 -3.80 -0.08 -1.26 -4.97 116.55 100.43 2k1q n ASP 25 Ca 0.11 -2.20 -0.13 0.00 -1.51 0.00 0.00 54.79 51.05 2k1q n ASP 25 Cb 0.02 0.67 -0.02 0.00 2.34 0.00 0.00 41.12 44.13 2k1q n ASP 25 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2k1q h LYS 26 N 0.97 0.95 -4.73 -0.67 1.57 -1.97 -3.45 116.57 109.24 2k1q h LYS 26 Ca -0.45 -0.49 -0.30 0.00 -1.87 0.00 0.00 60.65 57.54 2k1q h LYS 26 Cb 1.30 0.01 -0.21 0.00 0.08 0.00 0.00 32.23 33.41 2k1q h LYS 26 CO -0.19 1.15 -0.74 -0.80 -0.57 0.00 0.00 179.45 178.30 2k1q s ASN 27 N -6.83 1.04 0.11 0.86 0.02 -1.26 -5.09 114.94 103.79 2k1q s ASN 27 Ca -0.11 -0.58 0.06 0.00 -1.02 0.00 0.00 52.86 51.20 2k1q s ASN 27 Cb 0.11 0.02 -0.03 0.00 0.02 0.00 0.00 41.25 41.37 2k1q s ASN 27 CO 0.88 -0.19 -0.15 -1.10 0.02 0.00 0.00 177.10 176.57 2k1q s GLN 28 N -1.71 0.97 -0.23 -0.60 -0.21 -1.26 -5.05 119.66 111.57 2k1q s GLN 28 Ca -0.07 -1.15 -0.05 0.00 0.02 0.00 0.00 55.36 54.11 2k1q s GLN 28 Cb -0.09 -0.91 -0.02 0.00 1.00 0.00 0.00 33.01 32.99 2k1q s GLN 28 CO 0.01 0.19 -0.00 0.08 -2.12 0.00 0.00 175.29 173.44 2k1q s VAL 29 N -1.82 3.69 -0.13 1.09 1.01 -1.26 -4.96 120.40 118.02 2k1q s VAL 29 Ca 0.06 -0.38 0.20 0.00 0.00 0.00 0.00 61.98 61.85 2k1q s VAL 29 Cb -0.07 -2.70 0.45 0.00 0.00 0.00 0.00 36.38 34.07 2k1q s VAL 29 CO 0.03 0.39 1.17 -0.62 0.00 0.00 0.00 175.10 176.07 2k1q n GLU 30 N 4.84 1.09 -3.72 2.72 1.02 -1.26 -4.98 120.64 120.34 2k1q n GLU 30 Ca -0.17 -2.83 0.03 0.00 -0.02 0.00 0.00 57.16 54.17 2k1q n GLU 30 Cb 0.51 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 2k1q n GLU 30 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k1q s GLY 31 N -2.83 -0.37 0.00 0.62 0.00 -1.26 -5.02 107.32 98.46 2k1q s GLY 31 Ca 0.35 0.61 0.20 0.00 0.00 0.00 0.00 44.72 45.88 2k1q s GLY 31 CO -0.10 2.22 1.47 1.18 0.00 0.00 0.00 173.10 177.87 2k1q n GLU 32 N -0.65 2.75 -4.85 2.90 1.02 -1.26 -4.43 120.64 116.12 2k1q n GLU 32 Ca -0.05 -2.51 -0.30 0.00 -0.02 0.00 0.00 57.16 54.29 2k1q n GLU 32 Cb 0.62 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 30.37 2k1q n GLU 32 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2k1q s VAL 33 N -1.02 1.74 0.06 2.62 1.01 -1.26 -3.09 120.40 120.46 2k1q s VAL 33 Ca 0.43 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2k1q s VAL 33 Cb 0.22 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2k1q s VAL 33 CO 0.29 0.49 -0.18 -1.10 0.00 0.00 0.00 175.10 174.60 2k1q s GLN 34 N 0.61 1.99 -0.22 2.72 -0.21 -1.19 -5.03 119.66 118.33 2k1q s GLN 34 Ca -0.14 -1.03 -0.19 0.00 0.02 0.00 0.00 55.36 54.02 2k1q s GLN 34 Cb -0.17 -2.16 -0.03 0.00 1.00 0.00 0.00 33.01 31.65 2k1q s GLN 34 CO 0.04 0.52 0.53 0.08 -2.12 0.00 0.00 175.29 174.35 2k1q s VAL 35 N -0.97 5.08 -0.04 1.09 1.01 -1.26 -2.84 120.40 122.47 2k1q s VAL 35 Ca 0.15 0.96 0.05 0.00 0.00 0.00 0.00 61.98 63.14 2k1q s VAL 35 Cb -0.10 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2k1q s VAL 35 CO 0.06 0.14 -0.17 0.68 0.00 0.00 0.00 175.10 175.81 2k1q s VAL 36 N 1.88 2.81 0.11 2.92 -7.23 -0.93 -4.21 120.40 115.75 2k1q s VAL 36 Ca 0.24 -0.83 -0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2k1q s VAL 36 Cb -0.15 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 2k1q s VAL 36 CO 0.09 0.58 0.00 -0.44 -0.31 0.00 0.00 175.10 175.03 2k1q s SER 37 N -0.73 0.66 0.02 4.85 0.01 0.08 -1.76 113.70 116.83 2k1q s SER 37 Ca 0.11 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2k1q s SER 37 Cb -0.10 0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.33 2k1q s SER 37 CO 0.00 -0.62 0.01 0.41 0.41 0.00 0.00 173.24 173.44 2k1q n THR 38 N -0.06 0.00 -0.26 1.44 -1.04 0.25 -0.48 114.28 114.13 2k1q n THR 38 Ca -0.09 -0.12 -0.05 0.00 -2.04 0.00 0.00 64.05 61.75 2k1q n THR 38 Cb 0.62 0.04 0.06 0.00 -1.82 0.00 0.00 70.33 69.23 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 1.03 0.91 0.00 2.41 0.00 -2.01 -3.35 119.26 118.26 2k1q h ALA 39 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k1q h ALA 39 Cb 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2k1q h ALA 39 CO 0.03 0.34 0.00 -2.37 0.00 0.00 0.00 179.25 177.25 2k1q n THR 40 N -4.58 0.00 -4.33 0.00 5.66 -1.26 -5.07 114.28 104.70 2k1q n THR 40 Ca 0.07 -0.29 -0.25 0.00 -3.05 0.00 0.00 64.05 60.52 2k1q n THR 40 Cb 0.02 1.10 -0.09 0.00 -1.55 0.00 0.00 70.33 69.81 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 -0.45 2.04 -0.14 1.09 2.00 -1.26 -5.14 119.66 117.81 2k1q s GLN 41 Ca 0.00 -1.40 -0.12 0.00 -2.00 0.00 0.00 55.36 51.84 2k1q s GLN 41 Cb 0.00 -2.08 0.04 0.00 0.80 0.00 0.00 33.01 31.77 2k1q s GLN 41 CO 0.00 0.40 0.36 -1.54 -0.50 0.00 0.00 175.29 174.00 2k1q s SER 42 N -3.17 -0.39 0.26 6.67 1.04 -1.26 0.86 113.70 117.71 2k1q s SER 42 Ca 0.27 0.73 -0.16 0.00 0.48 0.00 0.00 55.95 57.27 2k1q s SER 42 Cb -0.07 0.72 0.06 0.00 0.10 0.00 0.00 66.02 66.82 2k1q s SER 42 CO 0.16 -0.14 0.82 2.22 0.98 0.00 0.00 173.24 177.29 2k1q n PHE 43 N 3.15 -1.74 -4.32 5.02 -1.74 -0.72 -4.64 117.46 112.46 2k1q n PHE 43 Ca -0.15 -1.40 -0.24 0.00 -0.56 0.00 0.00 57.45 55.10 2k1q n PHE 43 Cb 0.57 0.69 -0.08 0.00 1.52 0.00 0.00 39.48 42.18 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 3.07 0.10 5.98 1.43 -1.18 -2.20 118.68 125.88 2k1q s LEU 44 Ca 0.18 -0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2k1q s LEU 44 Cb -0.03 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 2k1q s LEU 44 CO 0.08 0.02 0.01 0.00 0.23 0.00 0.00 176.35 176.68 2k1q s ALA 45 N -2.27 0.78 -0.01 4.21 0.00 -1.13 -2.79 121.76 120.55 2k1q s ALA 45 Ca 0.30 -1.37 0.07 0.00 0.00 0.00 0.00 51.96 50.97 2k1q s ALA 45 Cb -0.07 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2k1q s ALA 45 CO 0.18 -0.40 -0.23 -0.08 0.00 0.00 0.00 175.76 175.23 2k1q s THR 46 N -3.92 1.83 -0.50 0.00 -1.32 -1.04 -3.18 115.64 107.51 2k1q s THR 46 Ca 0.16 -1.03 -0.16 0.00 -1.21 0.00 0.00 61.69 59.45 2k1q s THR 46 Cb 0.07 -1.53 0.08 0.00 -1.51 0.00 0.00 72.50 69.62 2k1q s THR 46 CO -0.03 0.48 0.46 0.00 -2.21 0.00 0.00 174.62 173.32 2k1q s VAL 48 N 1.83 3.81 -1.51 0.00 1.01 0.14 -2.32 120.40 123.37 2k1q s VAL 48 Ca 0.06 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 2k1q s VAL 48 Cb -0.25 -2.64 0.07 0.00 0.00 0.00 0.00 36.38 33.57 2k1q s VAL 48 CO 0.07 0.53 1.02 0.59 0.00 0.00 0.00 175.10 177.30 2k1q n ASN 49 N 3.15 -5.11 -0.83 3.32 3.02 -1.26 -0.71 115.26 116.84 2k1q n ASN 49 Ca -0.18 -0.74 -0.10 0.00 -0.03 0.00 0.00 54.58 53.53 2k1q n ASN 49 Cb 0.53 -4.07 -0.04 0.00 -0.61 0.00 0.00 39.78 35.59 2k1q n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k1q n GLY 50 N -1.74 1.08 3.00 7.41 0.00 -1.26 -5.00 105.19 108.67 2k1q n GLY 50 Ca 0.04 -0.54 -0.24 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 -2.40 1.00 0.39 1.61 1.01 0.11 -3.14 120.40 118.99 2k1q s VAL 51 Ca 0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 2k1q s VAL 51 Cb 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.35 2k1q s VAL 51 CO 0.00 0.33 0.97 0.00 0.00 0.00 0.00 175.10 176.39 2k1q s TRP 53 N -1.88 1.43 0.24 0.00 0.52 0.14 -2.31 118.94 117.08 2k1q s TRP 53 Ca 0.57 -0.45 -0.19 0.00 0.02 0.00 0.00 56.10 56.05 2k1q s TRP 53 Cb -0.15 -0.79 0.07 0.00 -1.15 0.00 0.00 33.47 31.45 2k1q s TRP 53 CO 0.20 0.12 0.95 -2.37 0.02 0.00 0.00 176.95 175.86 2k1q n THR 54 N 1.15 0.00 -3.95 2.01 5.66 -0.62 -2.50 114.28 116.03 2k1q n THR 54 Ca -0.20 -0.68 -0.27 0.00 -3.05 0.00 0.00 64.05 59.86 2k1q n THR 54 Cb 0.54 0.82 -0.03 0.00 -1.55 0.00 0.00 70.33 70.11 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 -2.08 5.27 0.14 1.08 0.11 -1.26 -2.36 120.40 121.30 2k1q s VAL 55 Ca 0.21 -0.68 -0.11 0.00 -2.93 0.00 0.00 61.98 58.47 2k1q s VAL 55 Cb -0.03 -3.69 -0.05 0.00 -1.53 0.00 0.00 36.38 31.07 2k1q s VAL 55 CO 0.07 -0.06 1.46 0.22 -3.33 0.00 0.00 175.10 173.46 2k1q h TYR 56 N 2.29 1.12 0.00 1.54 3.20 -1.34 0.16 116.97 123.93 2k1q h TYR 56 Ca -0.48 -0.35 -0.02 0.00 3.14 0.00 0.00 58.73 61.02 2k1q h TYR 56 Cb 1.19 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 2k1q h TYR 56 CO 0.55 1.18 -0.11 1.12 -1.64 0.00 0.00 178.16 179.25 2k1q h HIS 57 N 0.74 0.00 0.03 -3.82 2.07 -1.96 0.57 115.15 112.79 2k1q h HIS 57 Ca 0.05 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.24 2k1q h HIS 57 Cb 1.01 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.95 2k1q h HIS 57 CO 0.07 0.11 -1.86 0.41 -3.07 0.00 0.00 177.93 173.58 2k1q n GLY 58 N 0.06 -0.63 0.39 6.13 0.00 -1.16 -4.76 105.19 105.22 2k1q n GLY 58 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 2k1q n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1q n ALA 59 N -3.48 1.77 -0.73 4.61 0.00 0.52 -4.88 120.51 118.32 2k1q n ALA 59 Ca -0.39 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.30 2k1q n ALA 59 Cb 0.85 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.55 2k1q n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1q n GLY 60 N 1.87 -0.07 2.65 0.00 0.00 0.20 -3.73 105.19 106.12 2k1q n GLY 60 Ca -0.37 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.11 7.08 -4.11 1.61 2.88 -1.26 -4.87 113.62 112.84 2k1q n SER 61 Ca 0.00 -3.28 -0.08 0.00 -1.33 0.00 0.00 58.87 54.18 2k1q n SER 61 Cb 0.00 -1.34 -0.10 0.00 -0.75 0.00 0.00 64.21 62.02 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 -1.65 0.72 0.33 -1.46 1.02 -1.24 -4.99 119.74 112.47 2k1q s LYS 62 Ca 0.45 -1.29 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 2k1q s LYS 62 Cb 0.15 0.21 -0.10 0.00 -0.52 0.00 0.00 37.83 37.57 2k1q s LYS 62 CO -0.06 -0.16 1.36 0.95 -0.92 0.00 0.00 175.35 176.52 2k1q s THR 63 N -3.96 2.57 -0.04 2.17 -4.23 -1.26 -4.54 115.64 106.36 2k1q s THR 63 Ca 0.13 0.57 0.03 0.00 -1.18 0.00 0.00 61.69 61.23 2k1q s THR 63 Cb 0.08 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 2k1q s THR 63 CO -0.06 0.13 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.82 2k1q s LEU 64 N -1.74 2.94 -0.35 4.79 1.98 -1.11 -4.89 118.68 120.31 2k1q s LEU 64 Ca 0.51 -0.15 -0.23 0.00 -2.89 0.00 0.00 54.13 51.36 2k1q s LEU 64 Cb -0.41 -1.65 0.01 0.00 0.66 0.00 0.00 46.19 44.80 2k1q s LEU 64 CO 0.54 0.33 0.78 0.00 -1.89 0.00 0.00 176.35 176.12 2k1q s ALA 65 N -0.83 3.46 0.49 5.97 0.00 0.37 -1.68 121.76 129.53 2k1q s ALA 65 Ca 0.13 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.52 2k1q s ALA 65 Cb -0.11 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2k1q s ALA 65 CO 0.03 -1.40 0.00 0.20 0.00 0.00 0.00 175.76 174.59 2k1q s GLY 66 N 1.78 2.91 0.40 0.00 0.00 -0.62 -0.75 107.32 111.04 2k1q s GLY 66 Ca 0.31 -0.83 0.10 0.00 0.00 0.00 0.00 44.72 44.31 2k1q s GLY 66 CO 0.16 -2.18 1.95 -0.56 0.00 0.00 0.00 173.10 172.47 2k1q h PRO 67 N 1.45 0.23 -0.04 2.90 0.13 -1.97 -2.11 132.00 132.60 2k1q h PRO 67 Ca -0.44 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2k1q h PRO 67 Cb 1.30 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2k1q h PRO 67 CO 0.76 0.34 -0.58 0.87 -0.23 0.00 0.00 178.00 179.16 2k1q h LYS 68 N 0.23 0.12 0.00 0.86 1.57 -1.95 -3.48 116.57 113.92 2k1q h LYS 68 Ca 0.05 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2k1q h LYS 68 Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2k1q h LYS 68 CO 0.02 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 179.98 2k1q n GLY 69 N 0.18 0.71 3.77 3.86 0.00 -0.79 -5.04 105.19 107.88 2k1q n GLY 69 Ca -0.02 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.00 3.99 -0.10 1.61 0.04 -1.26 -1.59 135.00 135.69 2k1q s PRO 70 Ca 0.00 1.77 0.04 0.00 0.04 0.00 0.00 61.00 62.85 2k1q s PRO 70 Cb 0.00 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2k1q s PRO 70 CO 0.00 -0.35 -0.24 0.42 0.04 0.00 0.00 177.00 176.87 2k1q s ILE 71 N -1.49 2.06 -0.05 0.56 1.01 -0.68 -4.92 121.20 117.69 2k1q s ILE 71 Ca 0.59 -1.02 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 2k1q s ILE 71 Cb -0.29 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 2k1q s ILE 71 CO 0.36 0.56 0.75 -0.89 0.00 0.00 0.00 174.94 175.71 2k1q s THR 72 N 0.39 5.00 0.34 2.92 2.01 -1.26 -2.73 115.64 122.31 2k1q s THR 72 Ca -0.18 1.55 -0.28 0.00 0.31 0.00 0.00 61.69 63.09 2k1q s THR 72 Cb -0.18 -4.09 -0.12 0.00 0.01 0.00 0.00 72.50 68.12 2k1q s THR 72 CO 0.08 0.24 1.29 0.00 -0.69 0.00 0.00 174.62 175.54 2k1q n GLN 73 N 3.74 2.13 -0.04 4.92 1.13 -1.26 -4.26 117.38 123.73 2k1q n GLN 73 Ca -0.00 0.75 -0.09 0.00 -1.94 0.00 0.00 57.00 55.71 2k1q n GLN 73 Cb 0.51 -2.33 -0.03 0.00 0.11 0.00 0.00 30.24 28.50 2k1q n GLN 73 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2k1q n MET 74 N 0.57 0.19 -5.31 -1.09 0.00 0.14 -4.89 117.12 106.73 2k1q n MET 74 Ca 0.05 0.08 -0.31 0.00 -0.00 0.00 0.00 57.70 57.52 2k1q n MET 74 Cb 0.36 -0.84 -0.16 0.00 0.00 0.00 0.00 33.22 32.58 2k1q n MET 74 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 2k1q s TYR 75 N -2.16 2.33 -0.04 1.12 2.02 -0.36 -4.90 117.35 115.35 2k1q s TYR 75 Ca -0.12 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 2k1q s TYR 75 Cb 0.05 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 2k1q s TYR 75 CO 0.16 -0.04 -0.02 0.99 -1.57 0.00 0.00 175.55 175.06 2k1q s THR 76 N -0.61 0.39 -0.31 -0.71 2.01 -1.26 -1.46 115.64 113.68 2k1q s THR 76 Ca 0.10 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 2k1q s THR 76 Cb -0.10 -0.44 0.12 0.00 0.01 0.00 0.00 72.50 72.09 2k1q s THR 76 CO -0.01 0.19 0.21 0.21 -0.69 0.00 0.00 174.62 174.53 2k1q s ASN 77 N 0.99 2.75 0.19 3.53 3.84 -0.58 -4.99 114.94 120.67 2k1q s ASN 77 Ca -0.10 -1.40 -0.09 0.00 0.21 0.00 0.00 52.86 51.48 2k1q s ASN 77 Cb -0.14 -0.07 0.08 0.00 -0.55 0.00 0.00 41.25 40.57 2k1q s ASN 77 CO -0.01 -0.38 1.67 0.58 -2.79 0.00 0.00 177.10 176.17 2k1q h VAL 78 N 5.92 1.27 -0.02 -5.21 2.07 -1.96 0.33 116.25 118.65 2k1q h VAL 78 Ca -0.10 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2k1q h VAL 78 Cb 1.02 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2k1q h VAL 78 CO 0.35 0.41 0.01 0.44 0.02 0.00 0.00 177.57 178.80 2k1q h ASP 79 N 1.02 0.02 -0.01 0.57 3.32 -1.97 -2.56 116.42 116.81 2k1q h ASP 79 Ca 0.19 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2k1q h ASP 79 Cb 0.51 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2k1q h ASP 79 CO 0.02 0.01 -0.00 0.00 -1.72 0.00 0.00 179.24 177.55 2k1q n GLN 80 N -5.08 1.61 -3.80 3.56 1.13 -1.19 -4.95 117.38 108.67 2k1q n GLN 80 Ca -0.07 -0.89 -0.24 0.00 -1.94 0.00 0.00 57.00 53.86 2k1q n GLN 80 Cb 0.03 -1.48 0.02 0.00 0.11 0.00 0.00 30.24 28.92 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2k1q n ASP 81 N 0.09 -1.95 -3.82 1.08 2.03 0.11 -4.90 116.55 109.19 2k1q n ASP 81 Ca 0.19 -0.84 -0.13 0.00 0.52 0.00 0.00 54.79 54.53 2k1q n ASP 81 Cb 0.34 -3.84 -0.14 0.00 -0.72 0.00 0.00 41.12 36.76 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 -6.88 1.53 0.09 -2.67 1.43 -0.82 -0.95 118.68 110.40 2k1q s LEU 82 Ca 0.18 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2k1q s LEU 82 Cb -0.09 0.18 -0.04 0.00 0.03 0.00 0.00 46.19 46.27 2k1q s LEU 82 CO 0.83 -0.05 -0.02 0.68 0.23 0.00 0.00 176.35 178.01 2k1q s VAL 83 N 0.34 0.37 0.12 -1.59 -7.23 -0.99 -1.52 120.40 109.90 2k1q s VAL 83 Ca -0.03 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2k1q s VAL 83 Cb -0.04 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2k1q s VAL 83 CO -0.01 -0.82 0.08 -0.83 -0.31 0.00 0.00 175.10 173.21 2k1q s GLY 84 N -3.00 0.83 0.24 2.32 0.00 -0.54 -1.59 107.32 105.58 2k1q s GLY 84 Ca 0.13 -1.33 0.10 0.00 0.00 0.00 0.00 44.72 43.62 2k1q s GLY 84 CO -0.05 -1.26 -0.18 -0.98 0.00 0.00 0.00 173.10 170.63 2k1q s TRP 85 N -4.02 2.01 -0.50 1.90 0.51 -0.98 0.26 118.94 118.13 2k1q s TRP 85 Ca 0.21 -0.44 -0.29 0.00 -2.12 0.00 0.00 56.10 53.45 2k1q s TRP 85 Cb 0.07 -0.91 0.03 0.00 -0.81 0.00 0.00 33.47 31.85 2k1q s TRP 85 CO -0.00 0.53 1.15 -1.14 -0.51 0.00 0.00 176.95 176.98 2k1q s GLN 86 N -3.47 3.68 0.33 4.98 0.74 -1.26 -1.43 119.66 123.23 2k1q s GLN 86 Ca 0.25 0.51 -0.28 0.00 0.05 0.00 0.00 55.36 55.90 2k1q s GLN 86 Cb -0.03 -3.93 -0.10 0.00 1.10 0.00 0.00 33.01 30.05 2k1q s GLN 86 CO 0.11 -1.44 1.19 0.00 -0.55 0.00 0.00 175.29 174.59 2k1q s ALA 87 N 4.57 3.37 0.77 1.58 0.00 -1.19 -4.92 121.76 125.95 2k1q s ALA 87 Ca 0.47 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 53.37 2k1q s ALA 87 Cb -0.07 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.71 2k1q s ALA 87 CO 0.31 -0.43 1.09 -1.25 0.00 0.00 0.00 175.76 175.48 2k1q s PRO 88 N -1.80 2.28 0.85 0.00 0.04 -1.26 -4.92 135.00 130.19 2k1q s PRO 88 Ca 0.49 1.16 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 2k1q s PRO 88 Cb -0.34 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.40 2k1q s PRO 88 CO 0.45 -1.62 1.12 -1.25 0.04 0.00 0.00 177.00 175.73 2k1q s PRO 89 N -4.91 1.57 -0.65 0.56 0.04 -1.26 -3.48 135.00 126.87 2k1q s PRO 89 Ca 0.61 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2k1q s PRO 89 Cb -0.17 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2k1q s PRO 89 CO 0.56 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.82 2k1q n GLY 90 N -0.45 0.07 3.69 0.56 0.00 -1.26 -5.02 105.19 102.77 2k1q n GLY 90 Ca 0.10 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.38 3.30 -0.07 4.61 0.00 -1.23 -4.90 121.76 121.09 2k1q s ALA 91 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 51.96 50.78 2k1q s ALA 91 Cb 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 2k1q s ALA 91 CO 0.00 0.64 0.79 0.50 0.00 0.00 0.00 175.76 177.69 2k1q s ARG 92 N -1.47 4.43 0.30 0.00 3.52 -1.26 -4.93 118.95 119.55 2k1q s ARG 92 Ca 0.19 1.03 0.09 0.00 -0.13 0.00 0.00 55.73 56.90 2k1q s ARG 92 Cb -0.12 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 2k1q s ARG 92 CO 0.09 -0.04 0.09 -1.54 -0.81 0.00 0.00 175.30 173.09 2k1q s SER 93 N 0.92 4.73 -0.15 -2.12 1.04 -1.26 -4.44 113.70 112.42 2k1q s SER 93 Ca 0.41 -0.66 -0.05 0.00 0.48 0.00 0.00 55.95 56.13 2k1q s SER 93 Cb -0.18 -0.85 -0.03 0.00 0.10 0.00 0.00 66.02 65.05 2k1q s SER 93 CO 0.19 -0.16 0.01 -0.76 0.98 0.00 0.00 173.24 173.51 2k1q s LEU 94 N -3.78 3.56 0.69 2.42 1.43 -0.98 -4.91 118.68 117.10 2k1q s LEU 94 Ca 0.35 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 2k1q s LEU 94 Cb -0.05 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2k1q s LEU 94 CO 0.22 0.21 1.06 0.42 0.23 0.00 0.00 176.35 178.49 2k1q s THR 95 N 0.11 4.09 0.79 5.49 -4.23 -1.26 -4.39 115.64 116.24 2k1q s THR 95 Ca 0.02 0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 61.10 2k1q s THR 95 Cb -0.13 -3.44 0.07 0.00 1.34 0.00 0.00 72.50 70.33 2k1q s THR 95 CO 0.02 -0.89 1.09 -2.16 -0.54 0.00 0.00 174.62 172.13 2k1q s PRO 96 N -5.06 2.12 0.01 3.99 0.04 -1.26 0.26 135.00 135.10 2k1q s PRO 96 Ca 0.58 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 2k1q s PRO 96 Cb -0.14 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2k1q s PRO 96 CO 0.55 -1.66 1.01 0.00 0.04 0.00 0.00 177.00 176.94 2k1q n THR 98 N 3.89 1.25 -0.39 0.00 5.66 -1.26 -4.80 114.28 118.62 2k1q n THR 98 Ca 0.06 -4.43 0.00 0.00 -3.05 0.00 0.00 64.05 56.63 2k1q n THR 98 Cb 0.50 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 2k1q n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k1q n GLY 100 N 0.00 -0.43 3.57 0.00 0.00 -1.26 -4.93 105.19 102.14 2k1q n GLY 100 Ca 0.00 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2k1q n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1q s SER 101 N -2.68 6.51 0.25 1.61 0.01 -1.26 -4.92 113.70 113.22 2k1q s SER 101 Ca 0.26 0.20 -0.06 0.00 1.31 0.00 0.00 55.95 57.66 2k1q s SER 101 Cb -0.11 -2.41 0.26 0.00 0.21 0.00 0.00 66.02 63.97 2k1q s SER 101 CO 0.32 -0.85 1.93 0.28 0.41 0.00 0.00 173.24 175.33 2k1q h SER 102 N 8.73 1.16 -3.11 2.44 0.02 -1.92 -3.42 113.55 117.45 2k1q h SER 102 Ca -0.24 -0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.15 2k1q h SER 102 Cb 1.09 -0.29 0.06 0.00 0.14 0.00 0.00 62.40 63.40 2k1q h SER 102 CO 0.95 0.84 0.86 -1.81 -1.14 0.00 0.00 176.83 176.53 2k1q s ASP 103 N -6.12 6.53 0.03 3.07 1.01 -1.26 -1.70 116.67 118.22 2k1q s ASP 103 Ca -0.13 2.75 0.03 0.00 0.71 0.00 0.00 52.55 55.91 2k1q s ASP 103 Cb 0.18 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 2k1q s ASP 103 CO 0.82 -0.83 -0.08 -0.76 0.21 0.00 0.00 175.17 174.53 2k1q s LEU 104 N 0.25 2.17 -0.23 1.23 1.43 0.80 -4.30 118.68 120.03 2k1q s LEU 104 Ca 0.66 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 2k1q s LEU 104 Cb -0.45 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 2k1q s LEU 104 CO 0.39 -0.07 0.05 -0.31 0.23 0.00 0.00 176.35 176.64 2k1q s TYR 105 N -0.89 3.08 -0.06 0.29 1.51 -0.58 -0.47 117.35 120.22 2k1q s TYR 105 Ca -0.04 -0.43 -0.13 0.00 -1.01 0.00 0.00 57.07 55.46 2k1q s TYR 105 Cb -0.07 -2.19 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 2k1q s TYR 105 CO 0.00 -0.32 0.32 -1.17 -1.11 0.00 0.00 175.55 173.28 2k1q s LEU 106 N 1.41 4.41 -0.27 -1.29 2.96 -1.11 -1.56 118.68 123.23 2k1q s LEU 106 Ca 0.05 0.75 -0.16 0.00 -0.22 0.00 0.00 54.13 54.55 2k1q s LEU 106 Cb -0.15 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 2k1q s LEU 106 CO 0.03 0.30 0.44 -0.69 -1.32 0.00 0.00 176.35 175.10 2k1q s VAL 107 N -0.74 5.13 0.47 1.68 1.01 -1.22 -3.59 120.40 123.14 2k1q s VAL 107 Ca 0.20 0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.94 2k1q s VAL 107 Cb -0.15 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2k1q s VAL 107 CO 0.09 0.12 0.64 0.42 0.00 0.00 0.00 175.10 176.38 2k1q s THR 108 N 2.18 2.88 0.12 3.92 -4.23 -0.90 -4.74 115.64 114.87 2k1q s THR 108 Ca 0.18 -0.89 0.34 0.00 -1.18 0.00 0.00 61.69 60.13 2k1q s THR 108 Cb -0.16 -2.99 0.39 0.00 1.34 0.00 0.00 72.50 71.08 2k1q s THR 108 CO 0.10 0.00 1.99 0.03 -0.54 0.00 0.00 174.62 176.19 2k1q h ARG 109 N 0.44 0.00 -0.90 3.99 3.08 -1.89 -2.88 114.38 116.23 2k1q h ARG 109 Ca -0.41 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.40 2k1q h ARG 109 Cb 1.29 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.19 2k1q h ARG 109 CO 0.47 0.01 0.31 0.72 -1.07 0.00 0.00 179.97 180.41 2k1q n HIS 110 N -3.11 1.97 -3.73 3.04 8.25 -1.26 -4.88 115.22 115.50 2k1q n HIS 110 Ca 0.00 -1.15 -0.28 0.00 -0.26 0.00 0.00 57.72 56.04 2k1q n HIS 110 Cb 0.31 -0.63 0.03 0.00 1.12 0.00 0.00 29.99 30.81 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 -0.30 -1.23 -2.58 -1.41 0.00 -1.09 -4.97 120.51 108.94 2k1q n ALA 111 Ca 0.35 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.70 2k1q n ALA 111 Cb 1.21 -4.39 -0.16 0.00 0.00 0.00 0.00 19.45 16.10 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 -3.18 3.04 0.03 0.00 1.01 -1.26 -4.95 116.67 111.36 2k1q s ASP 112 Ca 0.60 -0.49 0.09 0.00 0.71 0.00 0.00 52.55 53.45 2k1q s ASP 112 Cb -0.29 -0.65 -0.03 0.00 1.01 0.00 0.00 42.92 42.96 2k1q s ASP 112 CO 0.74 0.27 -0.26 0.68 0.21 0.00 0.00 175.17 176.80 2k1q s VAL 113 N -0.33 2.12 0.15 -1.27 -7.23 -1.26 -2.11 120.40 110.47 2k1q s VAL 113 Ca 0.02 -1.33 0.06 0.00 -1.81 0.00 0.00 61.98 58.91 2k1q s VAL 113 Cb -0.12 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2k1q s VAL 113 CO 0.02 0.41 -0.12 0.27 -0.31 0.00 0.00 175.10 175.37 2k1q s ILE 114 N -0.76 1.34 -0.09 -0.62 -4.36 -1.24 -4.93 121.20 110.54 2k1q s ILE 114 Ca 0.11 -2.02 -0.19 0.00 -0.26 0.00 0.00 60.65 58.29 2k1q s ILE 114 Cb -0.10 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 2k1q s ILE 114 CO 0.01 -0.64 0.52 -2.16 0.24 0.00 0.00 174.94 172.91 2k1q s PRO 115 N -3.48 4.33 -0.06 0.37 0.04 -1.26 -2.75 135.00 132.19 2k1q s PRO 115 Ca 0.16 0.53 0.02 0.00 0.04 0.00 0.00 61.00 61.76 2k1q s PRO 115 Cb 0.00 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 31.14 2k1q s PRO 115 CO 0.03 0.19 -0.10 0.08 0.04 0.00 0.00 177.00 177.23 2k1q s VAL 116 N 0.49 0.99 0.36 -0.36 1.01 0.38 -4.23 120.40 119.05 2k1q s VAL 116 Ca 0.28 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 2k1q s VAL 116 Cb -0.16 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.20 2k1q s VAL 116 CO 0.12 0.32 0.84 -0.60 0.00 0.00 0.00 175.10 175.79 2k1q s ARG 117 N 0.71 4.16 -0.27 2.72 6.06 -0.98 -0.14 118.95 131.22 2k1q s ARG 117 Ca -0.14 0.93 -0.15 0.00 -2.50 0.00 0.00 55.73 53.87 2k1q s ARG 117 Cb -0.15 -2.37 -0.04 0.00 0.06 0.00 0.00 34.95 32.45 2k1q s ARG 117 CO 0.03 0.10 0.38 0.50 -2.50 0.00 0.00 175.30 173.80 2k1q s ARG 118 N -2.95 4.01 -0.18 5.12 3.52 -0.69 -0.49 118.95 127.29 2k1q s ARG 118 Ca 0.57 0.05 0.16 0.00 -0.13 0.00 0.00 55.73 56.38 2k1q s ARG 118 Cb -0.11 -3.66 0.56 0.00 -1.56 0.00 0.00 34.95 30.18 2k1q s ARG 118 CO 0.16 -0.28 1.45 0.54 -0.81 0.00 0.00 175.30 176.36 2k1q n ARG 119 N 5.34 3.11 0.00 5.12 5.12 0.58 -4.93 116.66 130.99 2k1q n ARG 119 Ca -0.08 -2.87 0.00 0.00 -1.93 0.00 0.00 57.85 52.96 2k1q n ARG 119 Cb 0.51 -1.89 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 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 -0.40 -0.91 0.36 -0.13 0.00 -0.95 -4.81 105.19 98.35 2k1q n GLY 120 Ca 0.22 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 1.13 0.00 1.61 3.32 -1.96 -3.25 116.42 117.27 2k1q h ASP 121 Ca 0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2k1q h ASP 121 Cb 0.00 -0.29 -0.07 0.00 0.22 0.00 0.00 39.33 39.19 2k1q h ASP 121 CO 0.00 0.90 -0.45 -1.54 -1.72 0.00 0.00 179.24 176.44 2k1q n SER 122 N -4.33 1.21 -4.19 6.45 3.41 -1.26 -4.21 113.62 110.70 2k1q n SER 122 Ca 0.10 -2.67 -0.27 0.00 -0.26 0.00 0.00 58.87 55.77 2k1q n SER 122 Cb 0.09 -0.35 -0.16 0.00 -0.26 0.00 0.00 64.21 63.54 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 -1.46 1.79 0.12 4.33 6.06 -1.23 -1.59 118.95 126.97 2k1q s ARG 123 Ca 0.23 -0.70 0.00 0.00 -2.50 0.00 0.00 55.73 52.76 2k1q s ARG 123 Cb 0.22 -1.63 -0.04 0.00 0.06 0.00 0.00 34.95 33.56 2k1q s ARG 123 CO -0.03 0.36 -0.00 0.20 -2.50 0.00 0.00 175.30 173.32 2k1q s GLY 124 N -0.26 0.92 0.10 8.12 0.00 0.72 -0.31 107.32 116.61 2k1q s GLY 124 Ca 0.02 -1.44 0.10 0.00 0.00 0.00 0.00 44.72 43.41 2k1q s GLY 124 CO 0.01 -1.43 -0.26 -1.35 0.00 0.00 0.00 173.10 170.07 2k1q s SER 125 N -3.06 3.35 -0.19 1.64 1.04 0.35 -1.06 113.70 115.77 2k1q s SER 125 Ca 0.18 -0.68 -0.15 0.00 0.48 0.00 0.00 55.95 55.78 2k1q s SER 125 Cb 0.07 -0.28 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 2k1q s SER 125 CO -0.01 0.20 0.35 -0.22 0.98 0.00 0.00 173.24 174.54 2k1q s LEU 126 N -1.83 4.18 0.24 2.42 2.96 0.55 -2.31 118.68 124.89 2k1q s LEU 126 Ca 0.14 0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 54.47 2k1q s LEU 126 Cb -0.10 -2.44 0.23 0.00 0.50 0.00 0.00 46.19 44.37 2k1q s LEU 126 CO 0.05 -0.01 1.87 -0.07 -1.32 0.00 0.00 176.35 176.88 2k1q h LEU 127 N 7.31 1.13 -8.88 -0.68 4.07 -1.85 -3.43 115.31 112.98 2k1q h LEU 127 Ca -0.38 -0.09 -0.68 0.00 0.08 0.00 0.00 57.88 56.81 2k1q h LEU 127 Cb 1.16 -0.29 -0.22 0.00 1.08 0.00 0.00 40.66 42.39 2k1q h LEU 127 CO 0.72 0.89 -0.87 -0.94 -1.08 0.00 0.00 178.44 177.17 2k1q s SER 128 N -6.22 3.25 -0.19 -0.43 1.04 -1.26 -5.10 113.70 104.79 2k1q s SER 128 Ca -0.13 -0.73 -0.29 0.00 0.48 0.00 0.00 55.95 55.28 2k1q s SER 128 Cb 0.17 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2k1q s SER 128 CO 0.83 0.18 1.04 -2.16 0.98 0.00 0.00 173.24 174.10 2k1q s PRO 129 N -1.99 4.30 0.26 4.02 0.04 -1.26 -4.86 135.00 135.51 2k1q s PRO 129 Ca 0.13 1.38 0.10 0.00 0.04 0.00 0.00 61.00 62.65 2k1q s PRO 129 Cb -0.10 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.77 2k1q s PRO 129 CO 0.06 -0.55 -0.17 1.03 0.04 0.00 0.00 177.00 177.41 2k1q s ARG 130 N 2.89 1.58 0.59 4.56 0.52 -1.19 -4.89 118.95 123.01 2k1q s ARG 130 Ca 0.45 -1.73 -0.18 0.00 -0.52 0.00 0.00 55.73 53.75 2k1q s ARG 130 Cb -0.16 -1.55 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 2k1q s ARG 130 CO 0.09 0.26 1.16 -1.25 0.02 0.00 0.00 175.30 175.59 2k1q s PRO 131 N -3.57 3.08 0.47 3.54 0.04 -1.26 0.63 135.00 137.93 2k1q s PRO 131 Ca 0.28 1.68 0.14 0.00 0.04 0.00 0.00 61.00 63.15 2k1q s PRO 131 Cb -0.03 -1.96 1.07 0.00 0.04 0.00 0.00 34.50 33.62 2k1q s PRO 131 CO 0.13 -1.09 2.04 0.28 0.04 0.00 0.00 177.00 178.40 2k1q h VAL 132 N 0.87 1.09 -0.84 -0.36 2.07 -1.90 -2.34 116.25 114.85 2k1q h VAL 132 Ca -0.50 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 66.60 2k1q h VAL 132 Cb 1.28 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 2k1q h VAL 132 CO 0.55 0.13 0.56 0.28 0.02 0.00 0.00 177.57 179.11 2k1q h SER 133 N 0.02 0.97 -1.00 0.57 0.02 -1.90 0.38 113.55 112.60 2k1q h SER 133 Ca 0.00 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k1q h SER 133 Cb 0.22 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 2k1q h SER 133 CO 0.02 0.70 0.67 0.22 -1.14 0.00 0.00 176.83 177.29 2k1q h TYR 134 N 1.14 1.26 0.00 3.45 3.20 -1.79 -2.47 116.97 121.76 2k1q h TYR 134 Ca 0.31 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.13 2k1q h TYR 134 Cb -0.13 -0.43 -0.01 0.00 1.54 0.00 0.00 36.73 37.70 2k1q h TYR 134 CO 0.00 0.79 -0.93 -0.07 -1.64 0.00 0.00 178.16 176.31 2k1q h LEU 135 N 1.36 0.00 -9.66 2.82 4.07 -1.47 -3.45 115.31 108.98 2k1q h LEU 135 Ca 0.37 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.81 2k1q h LEU 135 Cb -0.15 0.00 0.06 0.00 1.08 0.00 0.00 40.66 41.65 2k1q h LEU 135 CO -0.08 0.30 1.02 -0.75 -1.08 0.00 0.00 178.44 177.84 2k1q s LYS 136 N -3.11 4.12 0.00 1.13 2.47 0.13 -1.41 119.74 123.07 2k1q s LYS 136 Ca 0.00 2.61 0.00 0.00 -1.56 0.00 0.00 55.97 57.02 2k1q s LYS 136 Cb 0.08 -3.08 0.00 0.00 -1.46 0.00 0.00 37.83 33.38 2k1q s LYS 136 CO 0.77 -0.75 0.00 0.41 0.16 0.00 0.00 175.35 175.94 2k1q n GLY 137 N 3.98 0.94 0.47 5.54 0.00 -1.26 -4.89 105.19 109.98 2k1q n GLY 137 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 1.49 -4.78 1.61 3.41 -0.50 -3.76 113.62 111.08 2k1q n SER 138 Ca 0.00 -1.49 -0.41 0.00 -0.26 0.00 0.00 58.87 56.71 2k1q n SER 138 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k1q n SER 138 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k1q n SER 139 N 0.16 3.84 0.00 4.04 7.64 -1.26 -1.82 113.62 126.22 2k1q n SER 139 Ca 0.19 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.30 2k1q n SER 139 Cb 0.35 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 61.93 2k1q n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1q n GLY 140 N 0.45 3.41 3.72 0.23 0.00 -0.31 -3.12 105.19 109.58 2k1q n GLY 140 Ca 0.01 0.00 -0.34 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 -2.71 2.26 0.05 -0.02 0.00 -0.76 -3.53 107.32 102.62 2k1q s GLY 141 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 44.72 45.49 2k1q s GLY 141 CO 0.00 1.22 0.27 2.56 0.00 0.00 0.00 173.10 177.14 2k1q s PRO 142 N -4.01 3.53 -0.39 2.90 0.04 -1.26 -1.76 135.00 134.06 2k1q s PRO 142 Ca 0.73 -0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.45 2k1q s PRO 142 Cb -0.28 -3.02 0.04 0.00 0.04 0.00 0.00 34.50 31.29 2k1q s PRO 142 CO 0.46 0.60 0.23 -0.51 0.04 0.00 0.00 177.00 177.81 2k1q s LEU 143 N -2.19 4.84 -0.16 -3.56 1.02 -0.06 -3.41 118.68 115.14 2k1q s LEU 143 Ca 0.33 -1.08 -0.11 0.00 0.02 0.00 0.00 54.13 53.29 2k1q s LEU 143 Cb -0.13 -2.03 -0.05 0.00 0.02 0.00 0.00 46.19 44.00 2k1q s LEU 143 CO 0.22 -0.42 0.20 -0.76 0.02 0.00 0.00 176.35 175.60 2k1q s LEU 144 N 1.54 4.26 0.77 1.79 1.02 -0.60 0.37 118.68 127.84 2k1q s LEU 144 Ca 0.02 0.40 -0.11 0.00 0.02 0.00 0.00 54.13 54.46 2k1q s LEU 144 Cb -0.20 -2.21 0.05 0.00 0.02 0.00 0.00 46.19 43.86 2k1q s LEU 144 CO 0.06 0.20 1.09 0.00 0.02 0.00 0.00 176.35 177.72 2k1q h PRO 146 N -1.08 0.00 -0.83 0.00 0.13 -1.92 0.16 132.00 128.46 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 0.00 178.00 179.43 2k1q h SER 147 N 0.00 1.11 0.00 1.44 0.02 -1.95 -3.46 113.55 110.70 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 1.30 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.55 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 1.34 3.11 -3.77 0.00 0.04 -5.15 105.19 99.80 2k1q n GLY 148 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.93 1.05 0.44 1.61 3.76 -1.25 -4.81 115.29 114.16 2k1q s HIS 149 Ca 0.00 -0.36 -0.25 0.00 -0.15 0.00 0.00 55.06 54.30 2k1q s HIS 149 Cb 0.00 -0.62 -0.08 0.00 1.11 0.00 0.00 32.58 32.99 2k1q s HIS 149 CO 0.00 0.01 1.32 0.00 -0.85 0.00 0.00 174.74 175.22 2k1q s ALA 150 N -0.92 3.16 -0.02 -1.40 0.00 0.14 -1.50 121.76 121.22 2k1q s ALA 150 Ca -0.01 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2k1q s ALA 150 Cb -0.08 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2k1q s ALA 150 CO 0.01 -0.95 -0.01 0.28 0.00 0.00 0.00 175.76 175.09 2k1q n VAL 151 N -0.17 0.13 -3.83 0.00 0.31 0.16 0.42 118.33 115.35 2k1q n VAL 151 Ca 0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k1q n VAL 151 Cb 0.44 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 3.28 0.65 3.07 2.92 0.00 -1.23 -1.86 105.19 112.03 2k1q n GLY 152 Ca -0.04 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.17 1.23 0.32 -0.61 1.01 -0.81 -0.88 121.20 119.28 2k1q s ILE 153 Ca 0.01 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 2k1q s ILE 153 Cb -0.00 -1.08 -0.11 0.00 0.01 0.00 0.00 42.46 41.28 2k1q s ILE 153 CO -0.00 0.37 1.51 0.12 0.00 0.00 0.00 174.94 176.94 2k1q s PHE 154 N 0.30 2.76 -0.02 3.97 5.36 -0.72 -1.15 117.98 128.48 2k1q s PHE 154 Ca -0.08 0.99 -0.02 0.00 -0.96 0.00 0.00 56.93 56.86 2k1q s PHE 154 Cb -0.13 -3.99 -0.02 0.00 -0.34 0.00 0.00 43.02 38.55 2k1q s PHE 154 CO 0.03 -3.12 -0.06 -2.13 -1.46 0.00 0.00 175.22 168.48 2k1q n ARG 155 N 1.55 0.09 -3.76 10.12 0.63 -0.42 -1.16 116.66 123.71 2k1q n ARG 155 Ca 0.05 0.04 -0.09 0.00 -0.92 0.00 0.00 57.85 56.92 2k1q n ARG 155 Cb 0.39 -0.65 -0.06 0.00 0.45 0.00 0.00 32.46 32.58 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 -2.09 -0.52 0.14 5.13 0.00 -1.21 -4.83 121.76 118.38 2k1q s ALA 156 Ca -0.06 -0.38 0.09 0.00 0.00 0.00 0.00 51.96 51.61 2k1q s ALA 156 Cb 0.02 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2k1q s ALA 156 CO 0.07 -0.57 -0.14 0.00 0.00 0.00 0.00 175.76 175.13 2k1q s ALA 157 N -3.84 2.82 -0.25 0.00 0.00 -1.26 -1.46 121.76 117.77 2k1q s ALA 157 Ca 0.04 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.54 2k1q s ALA 157 Cb 0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2k1q s ALA 157 CO -0.11 0.55 0.05 0.08 0.00 0.00 0.00 175.76 176.32 2k1q s VAL 158 N -1.39 4.03 0.11 0.00 1.01 0.25 -4.97 120.40 119.45 2k1q s VAL 158 Ca 0.21 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.91 2k1q s VAL 158 Cb -0.10 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2k1q s VAL 158 CO 0.13 0.32 -0.12 0.00 0.00 0.00 0.00 175.10 175.42 2k1q n THR 160 N 0.50 1.41 -3.23 0.00 -1.04 -1.00 -4.84 114.28 106.07 2k1q n THR 160 Ca -0.15 0.19 -0.25 0.00 -2.04 0.00 0.00 64.05 61.80 2k1q n THR 160 Cb 0.57 -2.20 -0.06 0.00 -1.82 0.00 0.00 70.33 66.83 2k1q n THR 160 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k1q n ARG 161 N -4.24 1.99 -1.48 -2.82 1.74 -1.26 -4.83 116.66 105.75 2k1q n ARG 161 Ca -0.11 -4.16 -0.09 0.00 -0.77 0.00 0.00 57.85 52.72 2k1q n ARG 161 Cb 0.42 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 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 0.70 0.78 2.76 -0.13 0.00 -1.26 -5.01 105.19 103.04 2k1q n GLY 162 Ca 0.27 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 2k1q n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1q s VAL 163 N -2.35 0.00 -0.19 1.61 0.11 -1.26 -3.49 120.40 114.84 2k1q s VAL 163 Ca 0.00 0.22 -0.20 0.00 -2.93 0.00 0.00 61.98 59.08 2k1q s VAL 163 Cb 0.00 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 2k1q s VAL 163 CO 0.00 0.13 0.58 0.00 -3.33 0.00 0.00 175.10 172.47 2k1q s ALA 164 N 1.30 3.53 -0.02 1.54 0.00 0.20 -2.37 121.76 125.94 2k1q s ALA 164 Ca -0.06 -0.32 0.14 0.00 0.00 0.00 0.00 51.96 51.72 2k1q s ALA 164 Cb -0.13 -2.89 -0.21 0.00 0.00 0.00 0.00 23.12 19.89 2k1q s ALA 164 CO -0.03 -0.47 0.30 1.63 0.00 0.00 0.00 175.76 177.19 2k1q n LYS 165 N 4.84 0.43 -3.75 0.00 5.02 -0.81 -3.14 118.16 120.74 2k1q n LYS 165 Ca -0.03 -0.12 -0.11 0.00 -2.02 0.00 0.00 58.31 56.03 2k1q n LYS 165 Cb 0.50 -1.32 -0.07 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.94 -0.62 0.19 7.82 0.00 -1.22 -0.33 121.76 124.66 2k1q s ALA 166 Ca -0.05 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.77 2k1q s ALA 166 Cb 0.09 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 2k1q s ALA 166 CO 0.57 -0.49 -0.01 0.14 0.00 0.00 0.00 175.76 175.96 2k1q s VAL 167 N -3.17 0.87 -0.05 0.00 -7.23 -0.22 -0.58 120.40 110.02 2k1q s VAL 167 Ca -0.01 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 2k1q s VAL 167 Cb 0.01 -2.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 2k1q s VAL 167 CO -0.07 -0.45 -0.18 -0.62 -0.31 0.00 0.00 175.10 173.47 2k1q s ASP 168 N -3.22 2.29 0.10 4.85 -1.08 -0.53 -0.20 116.67 118.88 2k1q s ASP 168 Ca 0.25 -0.38 0.03 0.00 -0.52 0.00 0.00 52.55 51.93 2k1q s ASP 168 Cb 0.05 -0.67 -0.04 0.00 -1.46 0.00 0.00 42.92 40.80 2k1q s ASP 168 CO 0.05 0.16 -0.08 0.72 0.52 0.00 0.00 175.17 176.54 2k1q s PHE 169 N 0.05 0.99 -0.21 -5.34 -0.71 -0.62 -1.30 117.98 110.85 2k1q s PHE 169 Ca -0.05 -0.77 -0.16 0.00 -1.04 0.00 0.00 56.93 54.91 2k1q s PHE 169 Cb -0.12 -0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 41.10 2k1q s PHE 169 CO 0.03 -0.05 0.40 0.08 -1.34 0.00 0.00 175.22 174.33 2k1q s VAL 170 N -3.03 5.19 0.54 -2.49 1.01 -0.30 -4.25 120.40 117.07 2k1q s VAL 170 Ca 0.09 0.69 -0.21 0.00 0.00 0.00 0.00 61.98 62.55 2k1q s VAL 170 Cb 0.01 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2k1q s VAL 170 CO -0.02 0.23 1.23 -2.16 0.00 0.00 0.00 175.10 174.39 2k1q s PRO 171 N 1.45 3.27 0.61 2.72 0.04 -1.26 -1.92 135.00 139.91 2k1q s PRO 171 Ca 0.18 1.92 0.34 0.00 0.04 0.00 0.00 61.00 63.48 2k1q s PRO 171 Cb -0.15 -2.17 1.99 0.00 0.04 0.00 0.00 34.50 34.21 2k1q s PRO 171 CO 0.08 -0.99 2.29 0.28 0.04 0.00 0.00 177.00 178.70 2k1q h VAL 172 N 1.35 0.38 -0.93 -0.36 2.07 -1.74 -2.39 116.25 114.63 2k1q h VAL 172 Ca -0.50 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2k1q h VAL 172 Cb 1.28 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2k1q h VAL 172 CO 0.57 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 178.45 2k1q h GLU 173 N 0.00 1.23 -0.24 1.57 5.08 -1.90 -2.32 114.58 118.01 2k1q h GLU 173 Ca 0.00 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 2k1q h GLU 173 Cb 0.01 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2k1q h GLU 173 CO -0.00 0.81 -0.44 0.66 -1.00 0.00 0.00 179.01 179.04 2k1q h SER 174 N 1.27 0.65 -1.00 1.42 4.64 -1.80 -3.08 113.55 115.65 2k1q h SER 174 Ca 0.34 -0.30 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2k1q h SER 174 Cb -0.14 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 61.71 2k1q h SER 174 CO -0.08 1.00 0.66 0.24 -0.87 0.00 0.00 176.83 177.79 2k1q h MET 175 N 0.49 1.31 -0.73 4.77 2.86 -1.46 -2.22 114.93 119.95 2k1q h MET 175 Ca 0.03 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2k1q h MET 175 Cb 0.97 -0.30 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 2k1q h MET 175 CO 0.09 0.87 0.20 0.93 1.06 0.00 0.00 176.91 180.06 2k1q h GLU 176 N 1.35 1.15 -0.89 1.72 5.08 -1.38 -2.73 114.58 118.89 2k1q h GLU 176 Ca 0.37 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2k1q h GLU 176 Cb -0.15 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 28.90 2k1q h GLU 176 CO -0.08 1.00 0.47 1.15 -1.00 0.00 0.00 179.01 180.55 2k1q h THR 177 N 1.10 1.26 -1.00 1.13 2.02 -1.35 -2.49 112.91 113.58 2k1q h THR 177 Ca 0.23 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.75 2k1q h THR 177 Cb 0.35 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.78 2k1q h THR 177 CO -0.00 0.30 0.66 0.74 0.37 0.00 0.00 175.52 177.58 2k1q h THR 178 N 1.26 1.26 -0.97 3.16 2.02 -1.13 -2.14 112.91 116.36 2k1q h THR 178 Ca 0.31 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2k1q h THR 178 Cb 0.05 -0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.21 2k1q h THR 178 CO -0.05 0.25 0.61 0.24 0.37 0.00 0.00 175.52 176.95 2k1q h MET 179 N 1.36 1.31 -0.58 6.66 2.07 -1.27 -1.00 114.93 123.47 2k1q h MET 179 Ca 0.37 -0.10 -0.11 0.00 -2.07 0.00 0.00 59.70 57.79 2k1q h MET 179 Cb -0.15 -0.28 -0.02 0.00 -1.87 0.00 0.00 31.60 29.28 2k1q h MET 179 CO -0.08 0.89 -0.05 0.00 1.07 0.00 0.00 176.91 178.74 2k1q h ARG 180 N 1.33 1.07 -0.58 1.72 2.47 -1.25 -3.01 114.38 116.13 2k1q h ARG 180 Ca 0.35 -0.37 -0.11 0.00 -1.26 0.00 0.00 59.98 58.60 2k1q h ARG 180 Cb -0.10 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 2k1q h ARG 180 CO -0.07 1.07 -0.06 0.00 0.56 0.00 0.00 179.97 181.47 2k1q h ALA 181 N 0.96 0.79 -2.59 0.04 0.00 -0.92 -3.43 119.26 114.10 2k1q h ALA 181 Ca 0.16 -0.34 -0.50 0.00 0.00 0.00 0.00 54.91 54.23 2k1q h ALA 181 Cb 0.62 -0.21 0.07 0.00 0.00 0.00 0.00 17.79 18.28 2k1q h ALA 181 CO 0.04 0.67 0.43 0.45 0.00 0.00 0.00 179.25 180.84 2k1q s SER 182 N -6.62 5.75 -0.14 0.00 0.15 -0.42 -5.02 113.70 107.40 2k1q s SER 182 Ca -0.12 2.17 -0.09 0.00 0.70 0.00 0.00 55.95 58.61 2k1q s SER 182 Cb 0.13 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 2k1q s SER 182 CO 0.86 -1.20 0.16 -0.54 1.20 0.00 0.00 173.24 173.72 2k1q s LYS 183 N -3.28 3.77 0.25 5.44 1.02 -1.26 -4.93 119.74 120.75 2k1q s LYS 183 Ca 0.73 -0.12 -0.06 0.00 0.02 0.00 0.00 55.97 56.54 2k1q s LYS 183 Cb -0.24 -3.28 0.26 0.00 -0.52 0.00 0.00 37.83 34.05 2k1q s LYS 183 CO 0.27 0.58 1.92 0.87 -0.92 0.00 0.00 175.35 178.06 2k1q h LYS 184 N 5.65 1.32 -1.00 1.68 1.79 -1.95 -2.28 116.57 121.77 2k1q h LYS 184 Ca -0.49 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 57.90 2k1q h LYS 184 Cb 1.20 -0.29 -0.05 0.00 -1.58 0.00 0.00 32.23 31.51 2k1q h LYS 184 CO 0.65 0.88 0.66 -0.22 -1.08 0.00 0.00 179.45 180.34 2k1q h LYS 185 N 1.35 1.32 0.00 3.15 1.63 -2.03 -3.54 116.57 118.44 2k1q h LYS 185 Ca 0.36 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 2k1q h LYS 185 Cb -0.13 -0.30 0.00 0.00 -0.60 0.00 0.00 32.23 31.20 2k1q h LYS 185 CO -0.08 0.88 0.00 1.17 -3.45 0.00 0.00 179.45 177.97