#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 0.00 3.60 1.09 0.00 -1.26 -5.09 105.19 103.53 2k1q n GLY 23 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2k1q n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k1q s ARG 24 N 0.00 3.96 -0.11 1.61 0.52 -1.26 -4.94 118.95 118.73 2k1q s ARG 24 Ca 0.00 -0.31 0.15 0.00 -0.52 0.00 0.00 55.73 55.06 2k1q s ARG 24 Cb 0.00 -3.65 0.34 0.00 0.52 0.00 0.00 34.95 32.16 2k1q s ARG 24 CO 0.00 -0.16 1.16 -0.40 0.02 0.00 0.00 175.30 175.92 2k1q n ASP 25 N 5.00 1.42 -0.00 0.23 5.75 -1.26 -4.96 116.55 122.73 2k1q n ASP 25 Ca -0.14 -2.98 0.00 0.00 -0.01 0.00 0.00 54.79 51.66 2k1q n ASP 25 Cb 0.52 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 2k1q n ASP 25 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2k1q n LYS 26 N -0.59 0.00 -0.13 0.11 3.00 -1.26 -3.62 118.16 115.67 2k1q n LYS 26 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.31 2k1q n LYS 26 Cb 0.81 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.82 2k1q n LYS 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2k1q h ASN 27 N 0.00 1.01 -4.30 3.14 -0.26 -2.01 -3.44 115.58 109.72 2k1q h ASN 27 Ca 0.00 -0.45 -0.51 0.00 -0.56 0.00 0.00 56.30 54.79 2k1q h ASN 27 Cb 0.00 -0.28 0.08 0.00 -1.06 0.00 0.00 38.32 37.05 2k1q h ASN 27 CO 0.00 1.25 0.38 -1.10 -1.06 0.00 0.00 177.43 176.90 2k1q s GLN 28 N -4.46 3.17 0.00 0.81 -0.21 -1.24 -4.98 119.66 112.76 2k1q s GLN 28 Ca -0.11 0.97 0.12 0.00 0.02 0.00 0.00 55.36 56.36 2k1q s GLN 28 Cb 0.11 -2.02 0.33 0.00 1.00 0.00 0.00 33.01 32.43 2k1q s GLN 28 CO 0.88 -0.91 1.27 1.33 -2.12 0.00 0.00 175.29 175.74 2k1q n VAL 29 N -2.77 1.00 -3.70 1.09 0.24 -1.26 -4.75 118.33 108.18 2k1q n VAL 29 Ca 0.07 -1.00 -0.10 0.00 -2.04 0.00 0.00 64.34 61.28 2k1q n VAL 29 Cb 0.53 0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 33.35 2k1q n VAL 29 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2k1q s GLU 30 N -1.00 1.00 0.00 7.34 -1.05 -1.26 -4.96 118.70 118.77 2k1q s GLU 30 Ca 0.25 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 2k1q s GLU 30 Cb 0.13 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 2k1q s GLU 30 CO 0.17 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.42 2k1q n GLY 31 N -0.17 -1.21 0.30 -3.83 0.00 -1.26 -5.03 105.19 93.98 2k1q n GLY 31 Ca -0.16 0.81 0.01 0.00 0.00 0.00 0.00 46.02 46.69 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 0.61 -5.19 1.61 5.08 -1.95 -3.40 114.58 111.34 2k1q h GLU 32 Ca 0.00 -0.08 -0.63 0.00 -1.00 0.00 0.00 59.36 57.65 2k1q h GLU 32 Cb 0.00 -0.11 -0.19 0.00 0.50 0.00 0.00 28.75 28.95 2k1q h GLU 32 CO 0.00 0.51 -0.60 0.08 -1.00 0.00 0.00 179.01 178.00 2k1q s VAL 33 N -5.27 4.46 0.12 3.13 1.01 -1.26 -2.81 120.40 119.77 2k1q s VAL 33 Ca -0.08 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 61.84 2k1q s VAL 33 Cb 0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2k1q s VAL 33 CO 0.76 0.43 -0.18 -1.10 0.00 0.00 0.00 175.10 175.01 2k1q s GLN 34 N 0.71 1.78 -0.02 2.72 -0.21 -1.21 -4.99 119.66 118.44 2k1q s GLN 34 Ca 0.02 -1.19 -0.30 0.00 0.02 0.00 0.00 55.36 53.92 2k1q s GLN 34 Cb -0.14 -2.11 -0.03 0.00 1.00 0.00 0.00 33.01 31.74 2k1q s GLN 34 CO 0.02 0.48 1.00 0.54 -2.12 0.00 0.00 175.29 175.20 2k1q s VAL 35 N -1.16 4.81 0.15 1.09 0.11 -1.26 -2.96 120.40 121.18 2k1q s VAL 35 Ca 0.18 2.03 0.08 0.00 -2.93 0.00 0.00 61.98 61.34 2k1q s VAL 35 Cb -0.10 -4.30 -0.04 0.00 -1.53 0.00 0.00 36.38 30.40 2k1q s VAL 35 CO 0.10 0.12 -0.19 0.68 -3.33 0.00 0.00 175.10 172.49 2k1q s VAL 36 N 1.23 1.79 0.26 2.04 -7.23 -0.79 -4.13 120.40 113.56 2k1q s VAL 36 Ca 0.52 -1.85 -0.10 0.00 -1.81 0.00 0.00 61.98 58.74 2k1q s VAL 36 Cb -0.21 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 2k1q s VAL 36 CO 0.26 -0.27 0.44 -0.44 -0.31 0.00 0.00 175.10 174.77 2k1q s SER 37 N -2.53 0.09 0.11 4.85 0.01 -0.70 -1.41 113.70 114.13 2k1q s SER 37 Ca 0.14 -1.08 0.02 0.00 1.31 0.00 0.00 55.95 56.34 2k1q s SER 37 Cb -0.06 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.73 2k1q s SER 37 CO 0.06 -1.14 0.11 0.35 0.41 0.00 0.00 173.24 173.03 2k1q n THR 38 N -0.40 0.00 1.66 1.44 -2.24 -0.40 -1.75 114.28 112.59 2k1q n THR 38 Ca -0.01 -0.81 0.14 0.00 -2.27 0.00 0.00 64.05 61.09 2k1q n THR 38 Cb 0.62 0.41 0.80 0.00 -2.10 0.00 0.00 70.33 70.07 2k1q n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q n ALA 39 N -2.21 2.50 -0.01 6.98 0.00 -1.26 -4.03 120.51 122.48 2k1q n ALA 39 Ca -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 2k1q n ALA 39 Cb 0.21 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 2k1q n ALA 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k1q n THR 40 N -1.04 0.11 -4.07 0.00 -1.04 -1.26 -5.12 114.28 101.86 2k1q n THR 40 Ca 0.20 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.05 62.07 2k1q n THR 40 Cb 0.11 -1.21 -0.07 0.00 -1.82 0.00 0.00 70.33 67.34 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 -2.04 1.50 0.08 -2.82 -2.07 -1.26 -5.17 119.66 107.88 2k1q s GLN 41 Ca -0.03 -1.44 0.09 0.00 -1.82 0.00 0.00 55.36 52.17 2k1q s GLN 41 Cb 0.01 0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 32.30 2k1q s GLN 41 CO 0.04 -0.59 -0.25 0.45 -1.32 0.00 0.00 175.29 173.62 2k1q s SER 42 N -3.09 3.36 0.25 12.60 0.15 -1.26 -1.28 113.70 124.44 2k1q s SER 42 Ca 0.29 -0.61 -0.08 0.00 0.70 0.00 0.00 55.95 56.24 2k1q s SER 42 Cb 0.02 -0.33 0.03 0.00 -1.71 0.00 0.00 66.02 64.03 2k1q s SER 42 CO 0.12 0.23 0.49 2.22 1.20 0.00 0.00 173.24 177.49 2k1q n PHE 43 N 1.40 -1.77 -4.01 3.44 -1.74 -0.50 -4.57 117.46 109.70 2k1q n PHE 43 Ca -0.17 -1.27 -0.23 0.00 -0.56 0.00 0.00 57.45 55.22 2k1q n PHE 43 Cb 0.52 0.57 -0.06 0.00 1.52 0.00 0.00 39.48 42.03 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 3.24 0.04 5.98 1.43 -0.46 -1.89 118.68 127.01 2k1q s LEU 44 Ca 0.12 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.30 2k1q s LEU 44 Cb -0.03 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2k1q s LEU 44 CO 0.09 -0.45 0.07 0.00 0.23 0.00 0.00 176.35 176.29 2k1q s ALA 45 N -2.49 0.05 -0.10 4.21 0.00 -1.16 -4.00 121.76 118.26 2k1q s ALA 45 Ca 0.41 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.72 2k1q s ALA 45 Cb -0.00 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2k1q s ALA 45 CO 0.24 -0.33 -0.23 0.95 0.00 0.00 0.00 175.76 176.39 2k1q s THR 46 N -2.83 2.03 -0.49 0.00 -4.23 -0.56 -3.31 115.64 106.25 2k1q s THR 46 Ca -0.03 -1.00 -0.21 0.00 -1.18 0.00 0.00 61.69 59.27 2k1q s THR 46 Cb 0.00 -1.76 0.04 0.00 1.34 0.00 0.00 72.50 72.12 2k1q s THR 46 CO -0.06 0.55 0.72 0.00 -0.54 0.00 0.00 174.62 175.29 2k1q s VAL 48 N 3.05 2.86 -1.45 0.00 1.01 0.68 -0.52 120.40 126.02 2k1q s VAL 48 Ca 0.22 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 2k1q s VAL 48 Cb -0.15 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.15 2k1q s VAL 48 CO 0.17 0.57 0.77 0.59 0.00 0.00 0.00 175.10 177.19 2k1q n ASN 49 N 2.82 -5.07 -0.92 3.32 3.02 -1.26 -0.90 115.26 116.27 2k1q n ASN 49 Ca -0.17 -0.51 -0.10 0.00 -0.03 0.00 0.00 54.58 53.76 2k1q n ASN 49 Cb 0.52 -4.09 -0.03 0.00 -0.61 0.00 0.00 39.78 35.57 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 -1.54 0.79 2.81 7.41 0.00 -1.26 -5.01 105.19 108.39 2k1q n GLY 50 Ca -0.02 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.43 0.13 0.52 1.61 1.01 -0.08 -3.27 120.40 117.89 2k1q s VAL 51 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 2k1q s VAL 51 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 36.38 36.09 2k1q s VAL 51 CO 0.00 0.13 1.17 0.00 0.00 0.00 0.00 175.10 176.40 2k1q s TRP 53 N -1.63 0.07 0.13 0.00 0.52 0.17 -2.86 118.94 115.34 2k1q s TRP 53 Ca 0.70 -0.15 -0.20 0.00 0.02 0.00 0.00 56.10 56.47 2k1q s TRP 53 Cb -0.28 -0.05 0.07 0.00 -1.15 0.00 0.00 33.47 32.06 2k1q s TRP 53 CO 0.32 -0.06 0.94 -2.37 0.02 0.00 0.00 176.95 175.80 2k1q n THR 54 N 2.64 0.00 -2.29 2.01 5.66 -1.13 -1.50 114.28 119.68 2k1q n THR 54 Ca -0.16 -0.43 -0.30 0.00 -3.05 0.00 0.00 64.05 60.12 2k1q n THR 54 Cb 0.59 0.64 -0.00 0.00 -1.55 0.00 0.00 70.33 70.01 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 -2.11 4.77 0.06 1.08 0.11 -1.26 -2.54 120.40 120.52 2k1q s VAL 55 Ca 0.21 0.64 -0.15 0.00 -2.93 0.00 0.00 61.98 59.75 2k1q s VAL 55 Cb -0.02 -3.84 -0.27 0.00 -1.53 0.00 0.00 36.38 30.72 2k1q s VAL 55 CO 0.04 -0.94 1.14 0.22 -3.33 0.00 0.00 175.10 172.23 2k1q h TYR 56 N 0.14 1.04 0.00 1.54 3.20 -1.27 -3.26 116.97 118.36 2k1q h TYR 56 Ca -0.46 -0.61 -0.00 0.00 3.14 0.00 0.00 58.73 60.80 2k1q h TYR 56 Cb 1.19 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 2k1q h TYR 56 CO 0.63 1.45 -0.02 1.12 -1.64 0.00 0.00 178.16 179.69 2k1q h HIS 57 N 0.33 0.00 -0.01 -3.82 2.07 -1.95 0.84 115.15 112.61 2k1q h HIS 57 Ca -0.16 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.33 2k1q h HIS 57 Cb 1.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.81 2k1q h HIS 57 CO 0.11 0.02 -0.09 0.78 -3.07 0.00 0.00 177.93 175.68 2k1q h GLY 58 N 0.18 0.08 0.00 6.13 0.00 -1.96 -3.43 103.07 104.07 2k1q h GLY 58 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 2k1q h GLY 58 CO 0.00 0.12 -0.77 0.00 0.00 0.00 0.00 176.54 175.89 2k1q n ALA 59 N -2.49 2.49 0.00 3.60 0.00 -1.00 -4.79 120.51 118.32 2k1q n ALA 59 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2k1q n ALA 59 Cb 0.41 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 2.79 -2.19 2.53 0.00 0.00 0.29 -4.34 105.19 104.26 2k1q n GLY 60 Ca -0.08 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 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 0.40 6.27 -4.16 1.61 2.88 -1.26 -4.86 113.62 114.50 2k1q n SER 61 Ca 0.00 -2.71 -0.12 0.00 -1.33 0.00 0.00 58.87 54.71 2k1q n SER 61 Cb 0.00 -1.61 -0.09 0.00 -0.75 0.00 0.00 64.21 61.76 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 2.66 1.26 0.34 -1.46 1.02 -1.26 -5.10 119.74 117.19 2k1q s LYS 62 Ca 0.58 -1.57 -0.29 0.00 0.02 0.00 0.00 55.97 54.71 2k1q s LYS 62 Cb 0.16 0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 37.67 2k1q s LYS 62 CO -0.07 -0.43 1.35 0.99 -0.92 0.00 0.00 175.35 176.26 2k1q s THR 63 N -4.13 2.58 -0.06 2.17 2.01 -1.26 -4.72 115.64 112.23 2k1q s THR 63 Ca 0.36 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.95 2k1q s THR 63 Cb 0.06 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 2k1q s THR 63 CO 0.12 0.14 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.93 2k1q s LEU 64 N -1.79 3.37 -0.39 4.42 2.96 -1.14 -4.91 118.68 121.20 2k1q s LEU 64 Ca 0.50 0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 54.29 2k1q s LEU 64 Cb -0.41 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.49 2k1q s LEU 64 CO 0.55 0.35 0.32 0.00 -1.32 0.00 0.00 176.35 176.24 2k1q s ALA 65 N -0.89 3.48 0.45 5.97 0.00 -0.72 -1.15 121.76 128.90 2k1q s ALA 65 Ca 0.14 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.55 2k1q s ALA 65 Cb -0.11 -2.87 0.02 0.00 0.00 0.00 0.00 23.12 20.15 2k1q s ALA 65 CO 0.03 -1.35 0.13 0.41 0.00 0.00 0.00 175.76 174.99 2k1q n GLY 66 N 5.12 3.32 0.26 0.00 0.00 -0.47 -1.72 105.19 111.71 2k1q n GLY 66 Ca -0.10 -2.32 0.04 0.00 0.00 0.00 0.00 46.02 43.63 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 0.24 -0.01 1.61 0.13 -1.98 -1.97 132.00 130.02 2k1q h PRO 67 Ca -0.34 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.59 2k1q h PRO 67 Cb 1.10 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2k1q h PRO 67 CO 0.55 0.27 -0.75 -0.22 -0.23 0.00 0.00 178.00 177.62 2k1q h LYS 68 N 0.24 0.10 0.00 0.86 3.64 -1.95 -3.50 116.57 115.97 2k1q h LYS 68 Ca 0.06 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2k1q h LYS 68 Cb 0.17 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2k1q h LYS 68 CO 0.00 0.80 0.00 0.41 -2.27 0.00 0.00 179.45 178.40 2k1q n GLY 69 N 0.61 0.82 3.77 5.01 0.00 -0.74 -5.08 105.19 109.58 2k1q n GLY 69 Ca -0.02 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.93 3.62 -0.01 1.61 0.04 -1.26 -1.37 135.00 135.70 2k1q s PRO 70 Ca 0.00 1.82 0.04 0.00 0.04 0.00 0.00 61.00 62.90 2k1q s PRO 70 Cb 0.00 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2k1q s PRO 70 CO 0.00 -0.68 -0.13 0.42 0.04 0.00 0.00 177.00 176.65 2k1q s ILE 71 N -1.53 0.99 0.06 0.56 1.01 -0.30 -4.91 121.20 117.08 2k1q s ILE 71 Ca 0.66 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 2k1q s ILE 71 Cb -0.30 -0.83 -0.07 0.00 0.01 0.00 0.00 42.46 41.28 2k1q s ILE 71 CO 0.36 0.28 0.55 -0.89 0.00 0.00 0.00 174.94 175.23 2k1q s THR 72 N -0.29 4.78 0.38 2.92 2.01 -1.26 -2.87 115.64 121.30 2k1q s THR 72 Ca 0.05 1.17 -0.17 0.00 0.31 0.00 0.00 61.69 63.04 2k1q s THR 72 Cb -0.05 -3.87 -0.10 0.00 0.01 0.00 0.00 72.50 68.49 2k1q s THR 72 CO -0.00 0.56 0.83 0.00 -0.69 0.00 0.00 174.62 175.32 2k1q s GLN 73 N -1.09 4.09 -0.10 4.92 1.03 -1.26 -2.60 119.66 124.66 2k1q s GLN 73 Ca 0.28 0.86 0.09 0.00 0.04 0.00 0.00 55.36 56.63 2k1q s GLN 73 Cb -0.19 -2.32 -0.12 0.00 0.03 0.00 0.00 33.01 30.41 2k1q s GLN 73 CO 0.18 0.06 0.04 -1.33 -2.54 0.00 0.00 175.29 171.70 2k1q n MET 74 N -0.54 2.39 -4.20 9.60 2.81 0.28 -4.87 117.12 122.60 2k1q n MET 74 Ca 0.05 -0.01 -0.18 0.00 -1.81 0.00 0.00 57.70 55.76 2k1q n MET 74 Cb 0.54 -1.25 -0.12 0.00 -0.71 0.00 0.00 33.22 31.67 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 -2.24 1.08 -0.15 2.03 2.02 -1.12 -4.94 117.35 114.03 2k1q s TYR 75 Ca -0.05 -0.42 -0.07 0.00 -0.37 0.00 0.00 57.07 56.16 2k1q s TYR 75 Cb 0.03 -0.63 0.06 0.00 -0.40 0.00 0.00 41.96 41.03 2k1q s TYR 75 CO 0.40 0.02 0.33 0.95 -1.57 0.00 0.00 175.55 175.68 2k1q s THR 76 N -1.13 -0.23 -0.32 -0.71 -4.23 -1.26 -2.14 115.64 105.63 2k1q s THR 76 Ca -0.02 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.64 2k1q s THR 76 Cb -0.09 -0.52 0.12 0.00 1.34 0.00 0.00 72.50 73.36 2k1q s THR 76 CO 0.02 0.07 0.21 0.21 -0.54 0.00 0.00 174.62 174.58 2k1q s ASN 77 N 1.81 2.82 0.16 3.99 3.84 -0.34 -5.00 114.94 122.20 2k1q s ASN 77 Ca -0.06 -1.55 -0.15 0.00 0.21 0.00 0.00 52.86 51.32 2k1q s ASN 77 Cb -0.10 -0.14 0.04 0.00 -0.55 0.00 0.00 41.25 40.50 2k1q s ASN 77 CO -0.11 -0.37 1.77 0.58 -2.79 0.00 0.00 177.10 176.19 2k1q h VAL 78 N 5.77 1.17 -0.12 -5.21 2.07 -1.96 0.82 116.25 118.79 2k1q h VAL 78 Ca -0.08 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2k1q h VAL 78 Cb 1.01 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2k1q h VAL 78 CO 0.34 0.17 0.08 0.44 0.02 0.00 0.00 177.57 178.62 2k1q h ASP 79 N 0.65 0.14 0.91 0.57 3.32 -1.97 -1.98 116.42 118.07 2k1q h ASP 79 Ca 0.17 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2k1q h ASP 79 Cb 0.04 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2k1q h ASP 79 CO -0.03 0.11 -0.00 1.67 -1.72 0.00 0.00 179.24 179.27 2k1q n GLN 80 N -5.00 0.09 -3.61 3.56 -0.06 -1.10 -4.93 117.38 106.33 2k1q n GLN 80 Ca -0.05 -0.00 -0.21 0.00 -2.00 0.00 0.00 57.00 54.75 2k1q n GLN 80 Cb 0.03 -1.50 0.06 0.00 -4.06 0.00 0.00 30.24 24.77 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 -1.46 -2.31 -4.02 1.69 2.03 0.28 -4.89 116.55 107.87 2k1q n ASP 81 Ca 0.08 -0.71 -0.11 0.00 0.52 0.00 0.00 54.79 54.57 2k1q n ASP 81 Cb 0.32 -4.55 -0.11 0.00 -0.72 0.00 0.00 41.12 36.06 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 -6.67 2.24 -0.02 -2.67 1.43 -0.84 -0.88 118.68 111.28 2k1q s LEU 82 Ca 0.11 -0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 2k1q s LEU 82 Cb -0.05 -0.04 0.03 0.00 0.03 0.00 0.00 46.19 46.15 2k1q s LEU 82 CO 0.77 -0.25 0.33 0.54 0.23 0.00 0.00 176.35 177.97 2k1q s VAL 83 N -1.40 0.05 0.05 -1.59 0.11 -1.05 -1.20 120.40 115.38 2k1q s VAL 83 Ca -0.13 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.50 2k1q s VAL 83 Cb -0.10 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 2k1q s VAL 83 CO -0.00 -0.25 -0.10 -0.83 -3.33 0.00 0.00 175.10 170.59 2k1q s GLY 84 N -1.32 0.64 0.38 6.54 0.00 -0.91 -2.82 107.32 109.84 2k1q s GLY 84 Ca -0.13 -0.84 0.08 0.00 0.00 0.00 0.00 44.72 43.83 2k1q s GLY 84 CO 0.05 -0.87 -0.03 -0.98 0.00 0.00 0.00 173.10 171.26 2k1q s TRP 85 N -1.29 2.47 -0.12 1.90 0.51 -1.13 0.10 118.94 121.37 2k1q s TRP 85 Ca -0.06 -0.61 -0.29 0.00 -2.12 0.00 0.00 56.10 53.01 2k1q s TRP 85 Cb -0.10 -1.63 -0.03 0.00 -0.81 0.00 0.00 33.47 30.91 2k1q s TRP 85 CO 0.01 0.49 1.37 -0.65 -0.51 0.00 0.00 176.95 177.66 2k1q s GLN 86 N -3.68 4.22 0.16 4.98 -0.21 -1.07 -2.12 119.66 121.95 2k1q s GLN 86 Ca 0.34 1.81 -0.31 0.00 0.02 0.00 0.00 55.36 57.23 2k1q s GLN 86 Cb 0.07 -3.81 -0.08 0.00 1.00 0.00 0.00 33.01 30.19 2k1q s GLN 86 CO 0.17 -0.73 1.36 0.00 -2.12 0.00 0.00 175.29 173.98 2k1q s ALA 87 N 3.55 3.57 0.70 6.09 0.00 -1.20 -4.81 121.76 129.65 2k1q s ALA 87 Ca 0.60 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 53.56 2k1q s ALA 87 Cb -0.25 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.37 2k1q s ALA 87 CO 0.19 -0.59 1.10 -1.25 0.00 0.00 0.00 175.76 175.21 2k1q s PRO 88 N 0.48 2.60 0.75 0.00 0.04 -1.26 -4.98 135.00 132.63 2k1q s PRO 88 Ca 0.61 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 2k1q s PRO 88 Cb -0.37 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.28 2k1q s PRO 88 CO 0.35 -1.39 1.08 -1.25 0.04 0.00 0.00 177.00 175.83 2k1q s PRO 89 N -4.43 2.44 -0.90 0.56 0.04 -1.26 -3.61 135.00 127.83 2k1q s PRO 89 Ca 0.64 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2k1q s PRO 89 Cb -0.19 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2k1q s PRO 89 CO 0.47 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.44 2k1q n GLY 90 N -1.48 -0.06 3.46 0.56 0.00 -1.26 -4.93 105.19 101.48 2k1q n GLY 90 Ca 0.08 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.53 2.67 0.14 4.61 0.00 -1.24 -4.83 121.76 120.59 2k1q s ALA 91 Ca 0.00 -1.88 0.04 0.00 0.00 0.00 0.00 51.96 50.12 2k1q s ALA 91 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2k1q s ALA 91 CO 0.00 0.21 0.13 1.03 0.00 0.00 0.00 175.76 177.14 2k1q s ARG 92 N -3.55 2.94 0.28 0.00 0.52 -1.26 -5.02 118.95 112.85 2k1q s ARG 92 Ca 0.29 -0.81 0.09 0.00 -0.52 0.00 0.00 55.73 54.79 2k1q s ARG 92 Cb -0.03 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 2k1q s ARG 92 CO 0.14 0.51 0.06 -1.12 0.02 0.00 0.00 175.30 174.91 2k1q s SER 93 N -2.94 4.77 -0.18 0.23 0.01 -1.26 -4.31 113.70 110.01 2k1q s SER 93 Ca 0.31 -0.59 -0.09 0.00 1.31 0.00 0.00 55.95 56.89 2k1q s SER 93 Cb -0.11 -0.94 -0.05 0.00 0.21 0.00 0.00 66.02 65.14 2k1q s SER 93 CO 0.23 -0.06 0.13 -0.76 0.41 0.00 0.00 173.24 173.19 2k1q s LEU 94 N -3.74 4.21 0.66 2.44 1.43 0.32 -4.93 118.68 119.08 2k1q s LEU 94 Ca 0.33 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.58 2k1q s LEU 94 Cb -0.06 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 2k1q s LEU 94 CO 0.21 0.22 1.05 0.42 0.23 0.00 0.00 176.35 178.48 2k1q s THR 95 N 0.10 4.31 0.48 5.49 -4.23 -1.26 -4.35 115.64 116.18 2k1q s THR 95 Ca 0.09 0.75 -0.08 0.00 -1.18 0.00 0.00 61.69 61.27 2k1q s THR 95 Cb -0.11 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 2k1q s THR 95 CO -0.01 -0.98 0.83 -2.16 -0.54 0.00 0.00 174.62 171.76 2k1q s PRO 96 N -5.09 3.64 -0.00 3.99 0.04 -1.26 -0.06 135.00 136.25 2k1q s PRO 96 Ca 0.57 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 2k1q s PRO 96 Cb -0.13 -2.33 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 2k1q s PRO 96 CO 0.54 -0.21 0.99 0.00 0.04 0.00 0.00 177.00 178.36 2k1q n THR 98 N 3.94 1.16 -0.38 0.00 5.66 -1.26 -4.81 114.28 118.59 2k1q n THR 98 Ca 0.06 -4.51 0.00 0.00 -3.05 0.00 0.00 64.05 56.55 2k1q n THR 98 Cb 0.51 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 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 3.59 0.00 0.00 -1.26 -4.96 105.19 102.12 2k1q n GLY 100 Ca 0.00 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.95 6.02 0.22 1.61 0.15 -1.26 -4.97 113.70 111.52 2k1q s SER 101 Ca 0.23 -0.03 -0.08 0.00 0.70 0.00 0.00 55.95 56.78 2k1q s SER 101 Cb -0.10 -2.12 0.17 0.00 -1.71 0.00 0.00 66.02 62.25 2k1q s SER 101 CO 0.73 -0.06 1.79 0.28 1.20 0.00 0.00 173.24 177.18 2k1q h SER 102 N 8.38 1.11 -3.07 5.45 0.02 -1.93 -3.43 113.55 120.08 2k1q h SER 102 Ca -0.35 -0.16 -0.53 0.00 -0.84 0.00 0.00 61.79 59.92 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 0.97 0.86 -1.81 -1.14 0.00 0.00 176.83 176.26 2k1q s ASP 103 N -6.33 6.53 0.02 3.07 1.01 -1.26 -0.80 116.67 118.91 2k1q s ASP 103 Ca -0.12 2.73 0.01 0.00 0.71 0.00 0.00 52.55 55.88 2k1q s ASP 103 Cb 0.16 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 2k1q s ASP 103 CO 0.84 -0.83 -0.05 -0.76 0.21 0.00 0.00 175.17 174.58 2k1q s LEU 104 N 0.36 2.13 -0.23 1.23 1.43 0.39 -4.20 118.68 119.80 2k1q s LEU 104 Ca 0.66 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2k1q s LEU 104 Cb -0.45 -0.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.62 2k1q s LEU 104 CO 0.38 -0.10 0.03 -0.31 0.23 0.00 0.00 176.35 176.58 2k1q s TYR 105 N -0.78 3.06 0.01 0.29 2.02 -0.08 -0.80 117.35 121.07 2k1q s TYR 105 Ca -0.06 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.18 2k1q s TYR 105 Cb -0.06 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 2k1q s TYR 105 CO -0.00 -0.31 0.10 -1.17 -1.57 0.00 0.00 175.55 172.60 2k1q s LEU 106 N 1.32 3.97 -0.15 -1.29 2.96 -0.95 -0.79 118.68 123.76 2k1q s LEU 106 Ca 0.04 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.09 2k1q s LEU 106 Cb -0.15 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 2k1q s LEU 106 CO 0.02 0.26 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.57 2k1q s VAL 107 N -1.25 3.79 0.56 1.68 1.01 -1.22 -2.50 120.40 122.47 2k1q s VAL 107 Ca 0.25 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2k1q s VAL 107 Cb -0.12 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.64 2k1q s VAL 107 CO 0.16 0.50 0.78 -0.89 0.00 0.00 0.00 175.10 175.65 2k1q s THR 108 N 0.34 2.65 0.42 3.92 2.01 -0.38 -4.58 115.64 120.02 2k1q s THR 108 Ca -0.05 -0.65 0.37 0.00 0.31 0.00 0.00 61.69 61.67 2k1q s THR 108 Cb -0.14 -3.00 0.40 0.00 0.01 0.00 0.00 72.50 69.77 2k1q s THR 108 CO 0.03 0.00 2.18 -0.09 -0.69 0.00 0.00 174.62 176.05 2k1q h ARG 109 N 0.05 0.00 -0.98 4.92 2.43 -1.87 -2.37 114.38 116.56 2k1q h ARG 109 Ca -0.42 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.40 2k1q h ARG 109 Cb 1.30 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.64 2k1q h ARG 109 CO 0.52 0.02 0.45 1.58 -1.51 0.00 0.00 179.97 181.03 2k1q n HIS 110 N -3.21 2.18 -3.80 2.20 -0.00 -1.26 -4.87 115.22 106.46 2k1q n HIS 110 Ca -0.01 -1.42 -0.28 0.00 0.46 0.00 0.00 57.72 56.47 2k1q n HIS 110 Cb 0.19 -0.73 0.05 0.00 -0.12 0.00 0.00 29.99 29.37 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 -0.62 -1.29 -2.77 1.57 0.00 -0.89 -4.98 120.51 111.53 2k1q n ALA 111 Ca 0.42 0.28 -0.24 0.00 0.00 0.00 0.00 53.44 53.89 2k1q n ALA 111 Cb 1.33 -4.89 -0.06 0.00 0.00 0.00 0.00 19.45 15.83 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 -3.31 5.28 -0.06 0.00 1.01 -1.25 -4.90 116.67 113.45 2k1q s ASP 112 Ca 0.64 -0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.65 2k1q s ASP 112 Cb -0.31 -1.29 0.01 0.00 1.01 0.00 0.00 42.92 42.35 2k1q s ASP 112 CO 0.79 0.03 -0.11 0.54 0.21 0.00 0.00 175.17 176.63 2k1q s VAL 113 N -1.95 1.00 0.08 -1.27 0.11 -1.26 -1.25 120.40 115.86 2k1q s VAL 113 Ca 0.31 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 59.02 2k1q s VAL 113 Cb -0.09 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2k1q s VAL 113 CO 0.23 0.32 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.53 2k1q s ILE 114 N 0.68 1.31 -0.03 7.04 1.01 -1.04 -4.97 121.20 125.19 2k1q s ILE 114 Ca -0.13 -1.39 -0.23 0.00 0.00 0.00 0.00 60.65 58.90 2k1q s ILE 114 Cb -0.15 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2k1q s ILE 114 CO 0.03 -0.17 0.67 -2.16 0.00 0.00 0.00 174.94 173.31 2k1q s PRO 115 N -1.80 4.41 -0.06 2.79 0.04 -1.26 -2.23 135.00 136.89 2k1q s PRO 115 Ca 0.01 0.85 0.02 0.00 0.04 0.00 0.00 61.00 61.92 2k1q s PRO 115 Cb -0.10 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 31.05 2k1q s PRO 115 CO 0.03 0.19 -0.11 0.08 0.04 0.00 0.00 177.00 177.23 2k1q s VAL 116 N 0.38 1.02 -0.03 -0.36 1.01 0.02 -3.69 120.40 118.75 2k1q s VAL 116 Ca 0.35 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 2k1q s VAL 116 Cb -0.18 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 2k1q s VAL 116 CO 0.18 0.33 0.46 -0.60 0.00 0.00 0.00 175.10 175.47 2k1q s ARG 117 N 0.70 4.12 -0.02 2.72 6.06 -1.14 -0.46 118.95 130.94 2k1q s ARG 117 Ca -0.14 0.47 -0.30 0.00 -2.50 0.00 0.00 55.73 53.26 2k1q s ARG 117 Cb -0.16 -3.30 -0.03 0.00 0.06 0.00 0.00 34.95 31.52 2k1q s ARG 117 CO 0.03 0.48 1.02 0.50 -2.50 0.00 0.00 175.30 174.83 2k1q s ARG 118 N -0.44 4.51 -0.14 5.12 3.52 0.02 -0.63 118.95 130.91 2k1q s ARG 118 Ca 0.25 1.46 0.16 0.00 -0.13 0.00 0.00 55.73 57.47 2k1q s ARG 118 Cb -0.16 -3.47 0.31 0.00 -1.56 0.00 0.00 34.95 30.07 2k1q s ARG 118 CO 0.13 -0.15 1.16 0.54 -0.81 0.00 0.00 175.30 176.18 2k1q n ARG 119 N 4.19 1.26 0.00 5.12 5.12 0.11 -4.90 116.66 127.56 2k1q n ARG 119 Ca 0.07 -2.67 0.00 0.00 -1.93 0.00 0.00 57.85 53.32 2k1q n ARG 119 Cb 0.50 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 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 -1.22 -0.95 0.34 -0.13 0.00 -0.83 -4.80 105.19 97.59 2k1q n GLY 120 Ca 0.16 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.95 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 1.05 0.00 1.61 1.82 -1.98 -3.27 116.42 115.64 2k1q h ASP 121 Ca 0.00 -0.09 -0.07 0.00 -0.39 0.00 0.00 57.03 56.48 2k1q h ASP 121 Cb 0.00 -0.27 -0.16 0.00 0.68 0.00 0.00 39.33 39.58 2k1q h ASP 121 CO 0.00 0.83 -0.66 -1.54 -1.61 0.00 0.00 179.24 176.26 2k1q n SER 122 N -4.39 1.12 -4.10 2.28 3.41 -1.26 -4.62 113.62 106.06 2k1q n SER 122 Ca 0.09 -2.60 -0.22 0.00 -0.26 0.00 0.00 58.87 55.88 2k1q n SER 122 Cb 0.08 -0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 63.53 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 -1.15 1.08 0.21 4.33 6.06 -1.24 -2.29 118.95 125.95 2k1q s ARG 123 Ca 0.27 -0.48 -0.04 0.00 -2.50 0.00 0.00 55.73 52.98 2k1q s ARG 123 Cb 0.29 -1.05 -0.03 0.00 0.06 0.00 0.00 34.95 34.22 2k1q s ARG 123 CO -0.08 0.29 0.22 0.20 -2.50 0.00 0.00 175.30 173.42 2k1q s GLY 124 N -0.32 1.18 0.23 8.12 0.00 -0.47 0.07 107.32 116.13 2k1q s GLY 124 Ca 0.05 -1.47 0.10 0.00 0.00 0.00 0.00 44.72 43.40 2k1q s GLY 124 CO -0.00 -1.19 -0.08 -1.35 0.00 0.00 0.00 173.10 170.48 2k1q s SER 125 N -3.12 4.26 -0.29 1.64 1.04 0.20 -1.57 113.70 115.86 2k1q s SER 125 Ca 0.34 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 55.99 2k1q s SER 125 Cb 0.05 -0.70 -0.04 0.00 0.10 0.00 0.00 66.02 65.42 2k1q s SER 125 CO 0.11 0.05 0.19 -0.22 0.98 0.00 0.00 173.24 174.35 2k1q s LEU 126 N -3.25 4.07 0.19 2.42 2.96 0.35 -2.87 118.68 122.56 2k1q s LEU 126 Ca 0.28 -0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 54.04 2k1q s LEU 126 Cb -0.07 -2.11 0.12 0.00 0.50 0.00 0.00 46.19 44.63 2k1q s LEU 126 CO 0.17 -0.08 1.55 -0.07 -1.32 0.00 0.00 176.35 176.59 2k1q h LEU 127 N 8.38 0.74 -8.23 -0.68 4.07 -1.84 -3.40 115.31 114.35 2k1q h LEU 127 Ca -0.35 -0.34 -0.70 0.00 0.08 0.00 0.00 57.88 56.58 2k1q h LEU 127 Cb 1.18 -0.21 -0.28 0.00 1.08 0.00 0.00 40.66 42.44 2k1q h LEU 127 CO 0.57 1.05 -0.59 -0.55 -1.08 0.00 0.00 178.44 177.84 2k1q s SER 128 N -6.85 5.40 -0.12 -0.43 0.15 -1.26 -5.05 113.70 105.53 2k1q s SER 128 Ca -0.09 -1.12 -0.29 0.00 0.70 0.00 0.00 55.95 55.15 2k1q s SER 128 Cb 0.12 -1.90 -0.05 0.00 -1.71 0.00 0.00 66.02 62.48 2k1q s SER 128 CO 0.84 -0.34 1.84 -2.16 1.20 0.00 0.00 173.24 174.62 2k1q s PRO 129 N 1.43 3.83 0.28 5.44 0.04 -1.26 -4.98 135.00 139.78 2k1q s PRO 129 Ca -0.01 2.08 0.12 0.00 0.04 0.00 0.00 61.00 63.23 2k1q s PRO 129 Cb -0.19 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.17 2k1q s PRO 129 CO 0.04 -1.28 -0.20 1.03 0.04 0.00 0.00 177.00 176.63 2k1q s ARG 130 N 4.83 1.69 0.74 4.56 1.81 -1.24 -4.93 118.95 126.40 2k1q s ARG 130 Ca 0.82 -1.77 -0.12 0.00 -1.72 0.00 0.00 55.73 52.94 2k1q s ARG 130 Cb -0.33 -1.77 0.04 0.00 -0.45 0.00 0.00 34.95 32.44 2k1q s ARG 130 CO 0.34 0.33 1.11 -1.25 -0.68 0.00 0.00 175.30 175.14 2k1q s PRO 131 N -3.51 2.38 0.33 3.54 0.04 -1.26 -1.20 135.00 135.32 2k1q s PRO 131 Ca 0.30 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.67 2k1q s PRO 131 Cb -0.05 -1.90 0.59 0.00 0.04 0.00 0.00 34.50 33.17 2k1q s PRO 131 CO 0.15 -1.57 1.95 0.28 0.04 0.00 0.00 177.00 177.85 2k1q h VAL 132 N -0.68 1.18 -1.00 -0.36 2.07 -1.57 -2.40 116.25 113.48 2k1q h VAL 132 Ca -0.45 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 66.59 2k1q h VAL 132 Cb 1.24 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 2k1q h VAL 132 CO 0.52 0.21 0.66 0.28 0.02 0.00 0.00 177.57 179.26 2k1q h SER 133 N 0.77 1.15 -1.00 0.57 0.02 -1.91 0.12 113.55 113.26 2k1q h SER 133 Ca 0.19 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2k1q h SER 133 Cb 0.06 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.27 2k1q h SER 133 CO -0.03 0.83 0.66 0.22 -1.14 0.00 0.00 176.83 177.37 2k1q h TYR 134 N 1.35 1.26 0.00 3.45 3.20 -1.80 -2.40 116.97 122.04 2k1q h TYR 134 Ca 0.37 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.16 2k1q h TYR 134 Cb -0.15 -0.43 -0.02 0.00 1.54 0.00 0.00 36.73 37.68 2k1q h TYR 134 CO -0.00 0.79 -0.68 -0.07 -1.64 0.00 0.00 178.16 176.56 2k1q h LEU 135 N 1.35 0.00 -9.95 2.82 4.07 -1.38 -3.45 115.31 108.77 2k1q h LEU 135 Ca 0.37 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.79 2k1q h LEU 135 Cb -0.15 0.00 0.11 0.00 1.08 0.00 0.00 40.66 41.70 2k1q h LEU 135 CO -0.08 0.45 0.78 -0.54 -1.08 0.00 0.00 178.44 177.96 2k1q s LYS 136 N -2.99 4.07 0.00 1.13 -0.14 0.36 -1.75 119.74 120.42 2k1q s LYS 136 Ca 0.03 2.57 0.00 0.00 -1.36 0.00 0.00 55.97 57.20 2k1q s LYS 136 Cb 0.08 -2.94 0.00 0.00 -1.68 0.00 0.00 37.83 33.29 2k1q s LYS 136 CO 0.76 -0.56 0.00 0.41 -0.76 0.00 0.00 175.35 175.19 2k1q n GLY 137 N 0.46 0.50 0.40 -3.33 0.00 -1.26 -4.89 105.19 97.07 2k1q n GLY 137 Ca 0.01 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 0.05 2.94 -4.77 1.61 7.64 -0.72 -4.50 113.62 115.87 2k1q n SER 138 Ca 0.00 -2.94 -0.35 0.00 1.01 0.00 0.00 58.87 56.59 2k1q n SER 138 Cb 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2k1q n SER 138 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k1q s SER 139 N -2.31 5.76 0.00 6.43 0.01 -1.26 -3.00 113.70 119.33 2k1q s SER 139 Ca 0.33 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.76 2k1q s SER 139 Cb 0.28 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2k1q s SER 139 CO 0.06 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.12 2k1q n GLY 140 N 0.15 1.83 3.71 3.44 0.00 -1.04 -1.36 105.19 111.92 2k1q n GLY 140 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2k1q n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1q n GLY 141 N -2.00 0.87 3.81 -0.02 0.00 -1.16 -4.02 105.19 102.67 2k1q n GLY 141 Ca 0.00 0.39 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 2k1q n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1q s PRO 142 N -1.30 4.25 -0.39 1.61 0.04 -1.26 -1.31 135.00 136.65 2k1q s PRO 142 Ca 0.60 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 2k1q s PRO 142 Cb -0.56 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 30.94 2k1q s PRO 142 CO 0.57 0.52 0.23 -0.51 0.04 0.00 0.00 177.00 177.85 2k1q s LEU 143 N -1.55 4.86 -0.17 -3.56 1.02 -0.32 -3.40 118.68 115.57 2k1q s LEU 143 Ca 0.36 -1.03 -0.07 0.00 0.02 0.00 0.00 54.13 53.41 2k1q s LEU 143 Cb -0.19 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.93 2k1q s LEU 143 CO 0.21 -0.42 0.08 -0.76 0.02 0.00 0.00 176.35 175.48 2k1q s LEU 144 N 1.57 3.95 0.78 1.79 1.02 0.03 -0.51 118.68 127.33 2k1q s LEU 144 Ca 0.03 0.17 -0.11 0.00 0.02 0.00 0.00 54.13 54.24 2k1q s LEU 144 Cb -0.20 -1.99 0.06 0.00 0.02 0.00 0.00 46.19 44.09 2k1q s LEU 144 CO 0.07 0.23 1.10 0.00 0.02 0.00 0.00 176.35 177.77 2k1q h PRO 146 N -1.14 0.00 -0.84 0.00 0.13 -1.91 0.02 132.00 128.26 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 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2k1q h PRO 146 CO 0.50 0.00 0.38 0.77 -0.23 0.00 0.00 178.00 179.42 2k1q h SER 147 N 0.00 1.12 0.00 1.44 0.02 -1.95 -3.46 113.55 110.72 2k1q h SER 147 Ca 0.23 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2k1q h SER 147 Cb 1.26 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2k1q h SER 147 CO -0.00 0.96 0.00 0.61 -1.14 0.00 0.00 176.83 177.26 2k1q n GLY 148 N -0.96 1.44 3.09 -3.77 0.00 -0.01 -5.15 105.19 99.83 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 -1.80 0.96 0.22 1.61 3.76 -1.25 -4.88 115.29 113.92 2k1q s HIS 149 Ca 0.00 -0.34 -0.30 0.00 -0.15 0.00 0.00 55.06 54.27 2k1q s HIS 149 Cb 0.00 -0.58 -0.09 0.00 1.11 0.00 0.00 32.58 33.03 2k1q s HIS 149 CO 0.00 -0.00 1.18 0.00 -0.85 0.00 0.00 174.74 175.06 2k1q s ALA 150 N -0.85 3.43 -0.01 -1.40 0.00 0.91 -1.18 121.76 122.66 2k1q s ALA 150 Ca -0.01 0.96 0.04 0.00 0.00 0.00 0.00 51.96 52.95 2k1q s ALA 150 Cb -0.07 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 2k1q s ALA 150 CO 0.01 -0.33 0.08 1.55 0.00 0.00 0.00 175.76 177.07 2k1q n VAL 151 N 2.00 0.03 -3.96 0.00 3.14 0.34 0.66 118.33 120.53 2k1q n VAL 151 Ca 0.02 -0.11 0.02 0.00 -2.96 0.00 0.00 64.34 61.32 2k1q n VAL 151 Cb 0.44 0.24 0.01 0.00 -1.06 0.00 0.00 33.84 33.47 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 2.32 0.33 3.07 7.55 0.00 -1.24 -2.14 105.19 115.09 2k1q n GLY 152 Ca -0.01 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.05 0.94 0.37 -0.61 1.01 -0.77 -1.17 121.20 118.92 2k1q s ILE 153 Ca 0.20 -0.52 -0.28 0.00 0.00 0.00 0.00 60.65 60.06 2k1q s ILE 153 Cb -0.00 -0.79 -0.11 0.00 0.01 0.00 0.00 42.46 41.57 2k1q s ILE 153 CO -0.01 0.26 1.48 0.12 0.00 0.00 0.00 174.94 176.79 2k1q s PHE 154 N -0.29 2.61 0.03 3.97 5.36 -0.42 -1.27 117.98 127.97 2k1q s PHE 154 Ca 0.05 1.18 0.00 0.00 -0.96 0.00 0.00 56.93 57.20 2k1q s PHE 154 Cb -0.05 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.63 2k1q s PHE 154 CO -0.00 -2.93 0.00 -2.13 -1.46 0.00 0.00 175.22 168.70 2k1q n ARG 155 N 0.48 0.00 -3.77 10.12 0.63 0.15 -2.49 116.66 121.77 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 -0.48 -0.07 0.00 0.45 0.00 0.00 32.46 32.75 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 -0.54 0.02 5.13 0.00 -1.21 -4.90 121.76 118.25 2k1q s ALA 156 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2k1q s ALA 156 Cb 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2k1q s ALA 156 CO 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 175.76 175.23 2k1q s ALA 157 N -3.24 3.10 -0.23 0.00 0.00 -1.26 -1.99 121.76 118.13 2k1q s ALA 157 Ca -0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 2k1q s ALA 157 Cb 0.02 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 2k1q s ALA 157 CO -0.08 0.63 -0.00 0.08 0.00 0.00 0.00 175.76 176.39 2k1q s VAL 158 N -1.07 3.68 0.09 0.00 1.01 -0.01 -5.00 120.40 119.10 2k1q s VAL 158 Ca 0.19 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.83 2k1q s VAL 158 Cb -0.11 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2k1q s VAL 158 CO 0.10 0.39 -0.14 0.00 0.00 0.00 0.00 175.10 175.46 2k1q h THR 160 N 3.95 1.50 0.00 0.00 1.35 -1.86 -3.44 112.91 114.41 2k1q h THR 160 Ca -0.40 -2.27 -0.20 0.00 -0.55 0.00 0.00 66.41 62.99 2k1q h THR 160 Cb 1.19 2.92 -0.14 0.00 -1.73 0.00 0.00 68.15 70.39 2k1q h THR 160 CO 0.45 0.64 -0.27 -2.11 -0.25 0.00 0.00 175.52 173.99 2k1q n ARG 161 N -4.24 0.89 0.00 4.72 1.85 -1.26 -4.93 116.66 113.69 2k1q n ARG 161 Ca -0.12 -1.60 0.00 0.00 -1.00 0.00 0.00 57.85 55.14 2k1q n ARG 161 Cb 0.70 -0.41 0.00 0.00 -1.05 0.00 0.00 32.46 31.70 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 -0.12 1.75 3.22 2.89 0.00 -1.26 -5.07 105.19 106.59 2k1q n GLY 162 Ca -0.03 0.00 -0.34 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 -2.19 2.66 -0.06 1.61 1.01 -1.26 -1.32 120.40 120.86 2k1q s VAL 163 Ca 0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 2k1q s VAL 163 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2k1q s VAL 163 CO 0.00 0.49 0.79 0.00 0.00 0.00 0.00 175.10 176.38 2k1q s ALA 164 N 1.30 3.30 -0.04 5.51 0.00 -0.34 -2.33 121.76 129.16 2k1q s ALA 164 Ca 0.04 0.24 0.09 0.00 0.00 0.00 0.00 51.96 52.33 2k1q s ALA 164 Cb -0.14 -3.10 -0.13 0.00 0.00 0.00 0.00 23.12 19.76 2k1q s ALA 164 CO -0.07 -0.20 0.13 0.36 0.00 0.00 0.00 175.76 175.98 2k1q n LYS 165 N 3.97 1.27 -3.98 0.00 2.85 -0.36 -3.71 118.16 118.21 2k1q n LYS 165 Ca 0.01 -0.05 -0.08 0.00 -1.05 0.00 0.00 58.31 57.14 2k1q n LYS 165 Cb 0.51 -1.22 -0.09 0.00 -0.65 0.00 0.00 35.03 33.58 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 -2.46 0.15 0.21 0.58 0.00 -1.20 0.13 121.76 119.18 2k1q s ALA 166 Ca -0.04 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.04 2k1q s ALA 166 Cb 0.05 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 2k1q s ALA 166 CO 0.37 -0.41 0.05 0.14 0.00 0.00 0.00 175.76 175.91 2k1q s VAL 167 N -3.70 0.59 -0.02 0.00 -7.23 -0.61 -0.83 120.40 108.60 2k1q s VAL 167 Ca 0.04 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.28 2k1q s VAL 167 Cb 0.05 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2k1q s VAL 167 CO -0.10 -0.23 -0.17 -0.62 -0.31 0.00 0.00 175.10 173.68 2k1q s ASP 168 N -3.24 2.02 0.05 4.85 -1.08 -0.84 -1.37 116.67 117.06 2k1q s ASP 168 Ca 0.31 -0.31 0.01 0.00 -0.52 0.00 0.00 52.55 52.04 2k1q s ASP 168 Cb 0.07 -0.25 -0.03 0.00 -1.46 0.00 0.00 42.92 41.25 2k1q s ASP 168 CO 0.09 0.21 -0.05 0.72 0.52 0.00 0.00 175.17 176.66 2k1q s PHE 169 N -0.37 0.57 -0.25 -5.34 -0.12 -0.97 -0.67 117.98 110.83 2k1q s PHE 169 Ca 0.06 -0.74 -0.17 0.00 -0.05 0.00 0.00 56.93 56.03 2k1q s PHE 169 Cb -0.07 -0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 41.92 2k1q s PHE 169 CO -0.00 -0.20 0.47 0.08 -0.05 0.00 0.00 175.22 175.51 2k1q s VAL 170 N -2.53 5.11 0.68 -2.49 1.01 -0.39 -4.52 120.40 117.27 2k1q s VAL 170 Ca -0.03 0.80 -0.15 0.00 0.00 0.00 0.00 61.98 62.60 2k1q s VAL 170 Cb -0.02 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2k1q s VAL 170 CO -0.04 0.13 1.15 -2.16 0.00 0.00 0.00 175.10 174.19 2k1q s PRO 171 N 2.05 2.58 0.52 2.72 0.04 -1.26 -1.84 135.00 139.80 2k1q s PRO 171 Ca 0.20 1.57 0.23 0.00 0.04 0.00 0.00 61.00 63.04 2k1q s PRO 171 Cb -0.16 -1.91 1.40 0.00 0.04 0.00 0.00 34.50 33.88 2k1q s PRO 171 CO 0.09 -1.46 2.10 0.28 0.04 0.00 0.00 177.00 178.05 2k1q h VAL 172 N 0.01 0.75 -1.00 -0.36 2.07 -1.79 -2.60 116.25 113.33 2k1q h VAL 172 Ca -0.47 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 66.68 2k1q h VAL 172 Cb 1.27 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 2k1q h VAL 172 CO 0.52 0.10 0.66 -0.08 0.02 0.00 0.00 177.57 178.79 2k1q h GLU 173 N 0.00 1.26 -0.84 1.57 4.81 -1.90 -1.95 114.58 117.53 2k1q h GLU 173 Ca -0.00 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2k1q h GLU 173 Cb 0.23 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2k1q h GLU 173 CO 0.01 0.83 0.56 0.66 -0.73 0.00 0.00 179.01 180.34 2k1q h SER 174 N 1.30 0.96 -0.89 1.04 4.64 -1.83 -2.21 113.55 116.55 2k1q h SER 174 Ca 0.39 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 2k1q h SER 174 Cb -0.05 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.76 2k1q h SER 174 CO -0.11 0.70 0.47 0.24 -0.87 0.00 0.00 176.83 177.26 2k1q h MET 175 N 1.14 1.25 -0.83 4.77 2.86 -1.46 -2.39 114.93 120.28 2k1q h MET 175 Ca 0.31 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2k1q h MET 175 Cb -0.13 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.25 2k1q h MET 175 CO -0.07 0.93 0.55 1.49 1.06 0.00 0.00 176.91 180.87 2k1q h GLU 176 N 1.25 1.09 0.00 1.72 4.81 -1.24 -1.94 114.58 120.27 2k1q h GLU 176 Ca 0.31 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2k1q h GLU 176 Cb 0.06 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2k1q h GLU 176 CO -0.05 0.72 -0.37 1.79 -0.73 0.00 0.00 179.01 180.37 2k1q h THR 177 N 1.12 1.02 -0.46 0.32 1.35 -1.34 -3.07 112.91 111.83 2k1q h THR 177 Ca 0.30 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2k1q h THR 177 Cb -0.13 1.82 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 2k1q h THR 177 CO -0.07 0.37 0.31 0.74 -0.25 0.00 0.00 175.52 176.62 2k1q h THR 178 N 0.00 1.12 -0.55 6.82 2.02 -0.85 0.93 112.91 122.41 2k1q h THR 178 Ca -0.00 -0.22 -0.12 0.00 0.77 0.00 0.00 66.41 66.84 2k1q h THR 178 Cb 0.79 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2k1q h THR 178 CO 0.05 0.12 -0.11 0.24 0.37 0.00 0.00 175.52 176.18 2k1q h MET 179 N 0.63 1.04 0.00 6.66 2.07 -1.47 -2.74 114.93 121.13 2k1q h MET 179 Ca 0.17 -0.39 -0.06 0.00 -2.07 0.00 0.00 59.70 57.35 2k1q h MET 179 Cb -0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.59 2k1q h MET 179 CO -0.04 1.09 -0.27 0.00 1.07 0.00 0.00 176.91 178.76 2k1q h ARG 180 N 0.93 0.00 -0.73 1.72 3.08 -1.39 -1.71 114.38 116.27 2k1q h ARG 180 Ca 0.14 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.20 2k1q h ARG 180 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 2k1q h ARG 180 CO 0.05 0.27 0.48 0.00 -1.07 0.00 0.00 179.97 179.70 2k1q h ALA 181 N 1.73 0.92 0.00 0.04 0.00 -0.50 -3.44 119.26 118.01 2k1q h ALA 181 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k1q h ALA 181 Cb 0.70 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k1q h ALA 181 CO 0.04 0.34 0.00 0.45 0.00 0.00 0.00 179.25 180.08 2k1q n SER 182 N -4.58 -0.05 -4.43 0.00 2.88 -1.18 -5.06 113.62 101.20 2k1q n SER 182 Ca 0.07 0.13 -0.40 0.00 -1.33 0.00 0.00 58.87 57.34 2k1q n SER 182 Cb 0.02 0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.47 2k1q n SER 182 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2k1q s LYS 183 N -1.25 3.16 0.14 -1.46 1.02 -1.04 -4.96 119.74 115.35 2k1q s LYS 183 Ca 0.00 -0.85 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 2k1q s LYS 183 Cb 0.00 -3.70 -0.05 0.00 -0.52 0.00 0.00 37.83 33.56 2k1q s LYS 183 CO 0.00 -0.55 1.46 0.87 -0.92 0.00 0.00 175.35 176.22 2k1q h LYS 184 N 8.43 0.94 -4.50 1.68 1.57 -1.66 -3.39 116.57 119.65 2k1q h LYS 184 Ca -0.29 -0.51 -0.18 0.00 -1.87 0.00 0.00 60.65 57.79 2k1q h LYS 184 Cb 1.13 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.32 2k1q h LYS 184 CO 0.65 1.17 -0.69 0.15 -0.57 0.00 0.00 179.45 180.15 2k1q s LYS 185 N -4.35 0.75 0.00 3.15 1.02 -1.26 -4.80 119.74 114.24 2k1q s LYS 185 Ca -0.11 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.59 2k1q s LYS 185 Cb 0.11 -0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 2k1q s LYS 185 CO 0.89 -0.05 0.00 1.17 -0.92 0.00 0.00 175.35 176.43