#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 3.19 2.98 3.41 0.00 -1.26 -5.02 105.19 108.49 2k1q n GLY 23 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.37 0.78 -1.44 1.61 3.52 -1.26 -4.83 118.95 116.96 2k1q s ARG 24 Ca 0.00 -0.26 -0.07 0.00 -0.13 0.00 0.00 55.73 55.28 2k1q s ARG 24 Cb 0.00 -0.74 0.04 0.00 -1.56 0.00 0.00 34.95 32.69 2k1q s ARG 24 CO 0.00 0.11 0.78 -3.47 -0.81 0.00 0.00 175.30 171.91 2k1q n ASP 25 N 3.22 -2.63 -0.34 -2.12 -0.08 -1.26 -4.86 116.55 108.48 2k1q n ASP 25 Ca -0.17 -0.84 -0.03 0.00 -1.51 0.00 0.00 54.79 52.23 2k1q n ASP 25 Cb 0.55 -3.77 0.09 0.00 2.34 0.00 0.00 41.12 40.34 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 -1.93 1.23 0.00 -0.67 1.57 -1.97 -3.32 116.57 111.47 2k1q h LYS 26 Ca -0.60 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 57.99 2k1q h LYS 26 Cb 1.37 -0.26 -0.18 0.00 0.08 0.00 0.00 32.23 33.24 2k1q h LYS 26 CO 0.63 0.86 -0.75 0.27 -0.57 0.00 0.00 179.45 179.88 2k1q n ASN 27 N -4.39 0.47 -4.60 0.86 6.94 -1.26 -5.06 115.26 108.21 2k1q n ASN 27 Ca 0.10 -2.00 -0.40 0.00 -0.02 0.00 0.00 54.58 52.25 2k1q n ASN 27 Cb 0.05 -0.25 -0.08 0.00 -2.36 0.00 0.00 39.78 37.15 2k1q n ASN 27 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2k1q s GLN 28 N -0.01 3.97 -0.03 -3.83 -0.21 -1.25 -4.96 119.66 113.34 2k1q s GLN 28 Ca 0.16 0.21 -0.26 0.00 0.02 0.00 0.00 55.36 55.49 2k1q s GLN 28 Cb 0.18 -3.69 -0.21 0.00 1.00 0.00 0.00 33.01 30.30 2k1q s GLN 28 CO -0.08 -0.42 1.25 0.28 -2.12 0.00 0.00 175.29 174.20 2k1q h VAL 29 N 5.45 1.40 -3.00 1.09 2.07 -1.97 -3.48 116.25 117.82 2k1q h VAL 29 Ca -0.29 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 2k1q h VAL 29 Cb 1.14 2.21 -0.12 0.00 -1.52 0.00 0.00 31.29 33.00 2k1q h VAL 29 CO 0.73 0.31 0.21 -1.83 0.02 0.00 0.00 177.57 177.01 2k1q s GLU 30 N -4.18 1.29 0.00 1.57 -1.05 -1.26 -4.99 118.70 110.08 2k1q s GLU 30 Ca -0.16 -0.48 0.23 0.00 -0.15 0.00 0.00 54.97 54.41 2k1q s GLU 30 Cb 0.01 0.59 0.38 0.00 -0.44 0.00 0.00 34.13 34.67 2k1q s GLU 30 CO 0.67 -0.57 1.15 0.41 0.95 0.00 0.00 175.26 177.88 2k1q n GLY 31 N -0.38 0.94 0.34 -3.83 0.00 -1.26 -4.89 105.19 96.11 2k1q n GLY 31 Ca -0.17 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.11 2k1q n GLY 31 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2k1q h GLU 32 N 0.89 0.95 -5.29 1.61 4.11 -1.90 -3.41 114.58 111.54 2k1q h GLU 32 Ca -0.25 -0.06 -0.67 0.00 0.07 0.00 0.00 59.36 58.45 2k1q h GLU 32 Cb 1.84 -0.21 -0.30 0.00 0.50 0.00 0.00 28.75 30.58 2k1q h GLU 32 CO 0.07 0.64 -0.82 0.08 0.07 0.00 0.00 179.01 179.05 2k1q s VAL 33 N -5.79 2.58 0.12 -1.06 1.01 -1.26 -1.73 120.40 114.27 2k1q s VAL 33 Ca -0.11 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.11 2k1q s VAL 33 Cb 0.18 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2k1q s VAL 33 CO 0.78 0.53 -0.14 -1.10 0.00 0.00 0.00 175.10 175.17 2k1q s GLN 34 N 0.49 1.02 -0.14 2.72 -0.21 -1.22 -5.04 119.66 117.28 2k1q s GLN 34 Ca -0.12 -1.23 -0.18 0.00 0.02 0.00 0.00 55.36 53.85 2k1q s GLN 34 Cb -0.16 -0.92 -0.04 0.00 1.00 0.00 0.00 33.01 32.89 2k1q s GLN 34 CO 0.05 0.18 0.49 0.08 -2.12 0.00 0.00 175.29 173.97 2k1q s VAL 35 N -2.10 5.16 0.21 1.09 1.01 -1.26 -3.04 120.40 121.47 2k1q s VAL 35 Ca 0.09 0.96 0.08 0.00 0.00 0.00 0.00 61.98 63.10 2k1q s VAL 35 Cb -0.05 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2k1q s VAL 35 CO 0.03 0.28 -0.15 0.68 0.00 0.00 0.00 175.10 175.94 2k1q s VAL 36 N 0.91 1.78 0.11 2.92 -7.23 -0.94 -3.92 120.40 114.03 2k1q s VAL 36 Ca 0.26 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2k1q s VAL 36 Cb -0.15 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 2k1q s VAL 36 CO 0.10 -0.57 -0.01 -0.44 -0.31 0.00 0.00 175.10 173.87 2k1q s SER 37 N -3.28 0.76 0.25 4.85 0.01 -0.55 -2.27 113.70 113.47 2k1q s SER 37 Ca 0.22 -1.10 0.01 0.00 1.31 0.00 0.00 55.95 56.40 2k1q s SER 37 Cb -0.01 0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.35 2k1q s SER 37 CO 0.07 -0.60 0.09 -0.89 0.41 0.00 0.00 173.24 172.32 2k1q s THR 38 N -3.83 0.57 -0.66 1.44 2.01 0.76 -2.82 115.64 113.12 2k1q s THR 38 Ca 0.17 -2.00 0.17 0.00 0.31 0.00 0.00 61.69 60.34 2k1q s THR 38 Cb 0.07 -2.58 0.17 0.00 0.01 0.00 0.00 72.50 70.17 2k1q s THR 38 CO -0.02 -0.05 1.54 0.00 -0.69 0.00 0.00 174.62 175.39 2k1q n ALA 39 N -0.44 1.48 -0.01 7.40 0.00 -1.26 -3.45 120.51 124.23 2k1q n ALA 39 Ca -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 2k1q n ALA 39 Cb 0.66 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 2k1q n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k1q n THR 40 N -1.92 0.11 -3.87 0.00 -2.24 -1.26 -5.11 114.28 99.99 2k1q n THR 40 Ca 0.02 -0.07 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 2k1q n THR 40 Cb 0.15 -0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 67.42 2k1q n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q s GLN 41 N -2.04 1.77 0.17 -0.78 -2.07 -1.22 -5.18 119.66 110.31 2k1q s GLN 41 Ca -0.01 -1.02 0.09 0.00 -1.82 0.00 0.00 55.36 52.60 2k1q s GLN 41 Cb 0.00 0.60 -0.04 0.00 -1.09 0.00 0.00 33.01 32.48 2k1q s GLN 41 CO 0.07 -0.80 -0.19 0.45 -1.32 0.00 0.00 175.29 173.49 2k1q s SER 42 N -2.93 2.86 0.19 12.60 0.15 -1.26 -0.17 113.70 125.14 2k1q s SER 42 Ca 0.12 -0.87 -0.15 0.00 0.70 0.00 0.00 55.95 55.75 2k1q s SER 42 Cb -0.05 -0.18 0.06 0.00 -1.71 0.00 0.00 66.02 64.13 2k1q s SER 42 CO 0.07 -0.00 0.76 2.22 1.20 0.00 0.00 173.24 177.49 2k1q n PHE 43 N 0.25 -1.42 -4.26 3.44 1.16 -0.96 -4.54 117.46 111.13 2k1q n PHE 43 Ca -0.13 -1.12 -0.27 0.00 -1.87 0.00 0.00 57.45 54.07 2k1q n PHE 43 Cb 0.57 0.55 -0.09 0.00 -1.61 0.00 0.00 39.48 38.90 2k1q n PHE 43 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2k1q s LEU 44 N 0.00 3.07 0.20 5.98 1.43 -1.18 -2.22 118.68 125.96 2k1q s LEU 44 Ca 0.16 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 2k1q s LEU 44 Cb -0.03 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 2k1q s LEU 44 CO 0.06 0.11 -0.11 0.00 0.23 0.00 0.00 176.35 176.64 2k1q s ALA 45 N -1.63 1.92 -0.10 4.21 0.00 -1.17 -3.41 121.76 121.58 2k1q s ALA 45 Ca 0.25 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.59 2k1q s ALA 45 Cb -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 2k1q s ALA 45 CO 0.16 -0.01 -0.24 0.99 0.00 0.00 0.00 175.76 176.66 2k1q s THR 46 N -3.09 2.06 -0.56 0.00 2.01 -0.92 -3.44 115.64 111.70 2k1q s THR 46 Ca 0.23 -1.02 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 2k1q s THR 46 Cb 0.01 -1.78 0.06 0.00 0.01 0.00 0.00 72.50 70.80 2k1q s THR 46 CO 0.06 0.56 0.82 0.00 -0.69 0.00 0.00 174.62 175.38 2k1q s VAL 48 N 3.44 3.57 -1.45 0.00 1.01 0.91 -1.81 120.40 126.07 2k1q s VAL 48 Ca 0.22 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 2k1q s VAL 48 Cb -0.17 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.74 2k1q s VAL 48 CO 0.14 0.53 0.95 -3.20 0.00 0.00 0.00 175.10 173.52 2k1q n ASN 49 N 3.16 -5.60 -0.81 3.32 2.85 -1.26 -1.13 115.26 115.78 2k1q n ASN 49 Ca -0.18 -0.56 -0.11 0.00 -0.11 0.00 0.00 54.58 53.63 2k1q n ASN 49 Cb 0.53 -4.46 -0.04 0.00 1.24 0.00 0.00 39.78 37.04 2k1q n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k1q n GLY 50 N -1.74 1.19 2.94 8.20 0.00 -1.26 -5.00 105.19 109.51 2k1q n GLY 50 Ca -0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.39 0.75 0.44 1.61 1.01 -0.28 -3.22 120.40 118.32 2k1q s VAL 51 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 2k1q s VAL 51 Cb 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 36.38 35.57 2k1q s VAL 51 CO 0.00 0.27 1.12 0.00 0.00 0.00 0.00 175.10 176.49 2k1q s TRP 53 N -1.61 1.36 0.15 0.00 0.52 0.12 -2.65 118.94 116.84 2k1q s TRP 53 Ca 0.62 -0.47 -0.22 0.00 0.02 0.00 0.00 56.10 56.04 2k1q s TRP 53 Cb -0.26 -0.75 0.08 0.00 -1.15 0.00 0.00 33.47 31.39 2k1q s TRP 53 CO 0.31 0.10 1.06 -2.37 0.02 0.00 0.00 176.95 176.08 2k1q n THR 54 N 1.08 0.00 -3.48 2.01 5.66 -0.98 -2.16 114.28 116.41 2k1q n THR 54 Ca -0.20 -0.50 -0.27 0.00 -3.05 0.00 0.00 64.05 60.04 2k1q n THR 54 Cb 0.55 0.74 -0.03 0.00 -1.55 0.00 0.00 70.33 70.04 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 -2.05 5.11 0.10 1.08 0.11 -1.26 -2.57 120.40 120.92 2k1q s VAL 55 Ca 0.24 -0.26 -0.15 0.00 -2.93 0.00 0.00 61.98 58.88 2k1q s VAL 55 Cb -0.03 -3.78 -0.09 0.00 -1.53 0.00 0.00 36.38 30.96 2k1q s VAL 55 CO 0.05 -0.35 1.41 0.22 -3.33 0.00 0.00 175.10 173.10 2k1q h TYR 56 N 1.49 0.87 0.00 1.54 3.20 -1.29 -1.96 116.97 120.82 2k1q h TYR 56 Ca -0.48 -0.27 -0.00 0.00 3.14 0.00 0.00 58.73 61.11 2k1q h TYR 56 Cb 1.20 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 2k1q h TYR 56 CO 0.55 1.03 -0.02 1.12 -1.64 0.00 0.00 178.16 179.19 2k1q h HIS 57 N 0.46 0.00 0.04 -3.82 2.07 -1.96 -2.62 115.15 109.32 2k1q h HIS 57 Ca 0.04 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.35 2k1q h HIS 57 Cb 0.89 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.86 2k1q h HIS 57 CO 0.07 0.02 -1.10 0.78 -3.07 0.00 0.00 177.93 174.64 2k1q h GLY 58 N 0.94 0.10 -7.19 6.13 0.00 -1.92 -3.43 103.07 97.69 2k1q h GLY 58 Ca -0.00 -0.24 -0.62 0.00 0.00 0.00 0.00 47.33 46.46 2k1q h GLY 58 CO 0.00 0.21 -0.69 0.00 0.00 0.00 0.00 176.54 176.06 2k1q s ALA 59 N -2.38 2.62 1.00 3.60 0.00 -0.75 -4.85 121.76 121.01 2k1q s ALA 59 Ca -0.24 -2.82 0.00 0.00 0.00 0.00 0.00 51.96 48.90 2k1q s ALA 59 Cb 0.04 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2k1q s ALA 59 CO 0.67 -2.01 0.00 0.41 0.00 0.00 0.00 175.76 174.83 2k1q n GLY 60 N 3.47 -3.15 2.89 0.00 0.00 -1.01 -4.58 105.19 102.81 2k1q n GLY 60 Ca 0.06 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.00 3.56 -4.15 1.61 3.41 -1.26 -4.82 113.62 108.97 2k1q n SER 61 Ca 0.00 -2.60 -0.10 0.00 -0.26 0.00 0.00 58.87 55.91 2k1q n SER 61 Cb 0.00 -1.19 -0.10 0.00 -0.26 0.00 0.00 64.21 62.66 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 4.25 1.03 0.33 4.33 1.02 -1.26 -5.13 119.74 124.31 2k1q s LYS 62 Ca 0.52 -1.48 -0.29 0.00 0.02 0.00 0.00 55.97 54.74 2k1q s LYS 62 Cb 0.13 0.26 -0.10 0.00 -0.52 0.00 0.00 37.83 37.60 2k1q s LYS 62 CO 0.04 -0.31 1.35 0.99 -0.92 0.00 0.00 175.35 176.50 2k1q s THR 63 N -4.08 2.59 -0.14 2.17 2.01 -1.26 -4.92 115.64 112.01 2k1q s THR 63 Ca 0.28 0.58 -0.03 0.00 0.31 0.00 0.00 61.69 62.83 2k1q s THR 63 Cb 0.07 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 2k1q s THR 63 CO 0.05 0.14 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.87 2k1q s LEU 64 N -1.75 3.35 -0.29 4.42 2.96 -1.25 -4.92 118.68 121.21 2k1q s LEU 64 Ca 0.50 -0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 54.17 2k1q s LEU 64 Cb -0.41 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 2k1q s LEU 64 CO 0.54 0.23 0.56 0.00 -1.32 0.00 0.00 176.35 176.36 2k1q s ALA 65 N 0.02 3.56 0.38 5.97 0.00 -1.13 -1.22 121.76 129.34 2k1q s ALA 65 Ca 0.01 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2k1q s ALA 65 Cb -0.13 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.02 2k1q s ALA 65 CO 0.02 -0.93 0.11 0.41 0.00 0.00 0.00 175.76 175.38 2k1q n GLY 66 N 4.45 3.39 0.25 0.00 0.00 0.96 -1.48 105.19 112.78 2k1q n GLY 66 Ca -0.03 -2.30 0.02 0.00 0.00 0.00 0.00 46.02 43.71 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 0.30 -0.00 1.61 0.13 -1.98 -2.35 132.00 129.71 2k1q h PRO 67 Ca -0.28 -0.06 -0.17 0.00 -0.87 0.00 0.00 66.00 64.62 2k1q h PRO 67 Cb 0.91 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 2k1q h PRO 67 CO 0.46 0.38 -0.80 -0.22 -0.23 0.00 0.00 178.00 177.59 2k1q h LYS 68 N 0.29 0.08 0.00 0.86 3.64 -1.95 -3.50 116.57 116.00 2k1q h LYS 68 Ca 0.06 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2k1q h LYS 68 Cb 0.30 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2k1q h LYS 68 CO 0.01 0.83 0.00 0.41 -2.27 0.00 0.00 179.45 178.44 2k1q n GLY 69 N 0.73 0.28 3.81 5.01 0.00 -0.89 -5.10 105.19 109.03 2k1q n GLY 69 Ca -0.02 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 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 3.10 -0.01 1.61 0.04 -1.26 -0.02 135.00 136.45 2k1q s PRO 70 Ca 0.00 1.12 0.05 0.00 0.04 0.00 0.00 61.00 62.21 2k1q s PRO 70 Cb 0.00 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2k1q s PRO 70 CO 0.00 -0.98 -0.16 0.42 0.04 0.00 0.00 177.00 176.31 2k1q s ILE 71 N -2.69 1.29 0.29 0.56 1.01 -0.35 -4.82 121.20 116.48 2k1q s ILE 71 Ca 0.62 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 2k1q s ILE 71 Cb -0.15 -1.07 -0.08 0.00 0.01 0.00 0.00 42.46 41.16 2k1q s ILE 71 CO 0.45 0.37 0.65 0.42 0.00 0.00 0.00 174.94 176.82 2k1q s THR 72 N -0.38 4.82 -0.06 2.92 -4.23 -1.26 -3.74 115.64 113.71 2k1q s THR 72 Ca 0.06 0.65 -0.11 0.00 -1.18 0.00 0.00 61.69 61.11 2k1q s THR 72 Cb -0.06 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.10 2k1q s THR 72 CO -0.01 -0.18 0.27 -1.10 -0.54 0.00 0.00 174.62 173.07 2k1q s GLN 73 N -3.03 3.67 -0.01 3.99 -0.21 -1.26 -0.83 119.66 121.98 2k1q s GLN 73 Ca 0.50 0.13 0.00 0.00 0.02 0.00 0.00 55.36 56.02 2k1q s GLN 73 Cb -0.11 -3.20 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 2k1q s GLN 73 CO 0.21 0.74 -0.00 -1.33 -2.12 0.00 0.00 175.29 172.79 2k1q n MET 74 N 1.90 2.81 -4.13 2.91 2.81 -0.47 -4.70 117.12 118.25 2k1q n MET 74 Ca -0.17 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.56 2k1q n MET 74 Cb 0.54 -1.02 -0.12 0.00 -0.71 0.00 0.00 33.22 31.91 2k1q n MET 74 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2k1q s TYR 75 N -2.02 1.00 -0.05 2.03 1.51 -0.99 -4.99 117.35 113.84 2k1q s TYR 75 Ca -0.01 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 2k1q s TYR 75 Cb 0.00 -0.57 0.02 0.00 -0.11 0.00 0.00 41.96 41.30 2k1q s TYR 75 CO 0.03 0.00 0.13 0.95 -1.11 0.00 0.00 175.55 175.55 2k1q s THR 76 N -1.31 -0.01 -0.34 -0.71 -4.23 -1.26 -2.16 115.64 105.61 2k1q s THR 76 Ca -0.05 0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.53 2k1q s THR 76 Cb -0.10 -0.20 0.16 0.00 1.34 0.00 0.00 72.50 73.70 2k1q s THR 76 CO 0.02 0.02 0.40 0.20 -0.54 0.00 0.00 174.62 174.71 2k1q s ASN 77 N 0.31 0.80 0.09 3.99 -0.87 -0.16 -4.98 114.94 114.12 2k1q s ASN 77 Ca -0.02 -1.11 -0.16 0.00 -1.57 0.00 0.00 52.86 50.00 2k1q s ASN 77 Cb -0.03 0.81 -0.10 0.00 -0.02 0.00 0.00 41.25 41.92 2k1q s ASN 77 CO -0.01 -0.29 1.40 0.58 -2.57 0.00 0.00 177.10 176.21 2k1q h VAL 78 N 5.48 1.31 -0.46 1.60 2.07 -1.96 -0.29 116.25 124.00 2k1q h VAL 78 Ca -0.01 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.06 2k1q h VAL 78 Cb 1.09 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 2k1q h VAL 78 CO 0.22 0.46 0.30 0.44 0.02 0.00 0.00 177.57 179.02 2k1q h ASP 79 N 0.38 0.52 -0.00 0.57 3.32 -1.95 -1.81 116.42 117.44 2k1q h ASP 79 Ca 0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2k1q h ASP 79 Cb 0.85 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2k1q h ASP 79 CO 0.07 0.38 -0.00 1.67 -1.72 0.00 0.00 179.24 179.63 2k1q n GLN 80 N -4.77 1.37 -3.80 3.56 7.27 -1.22 -4.93 117.38 114.87 2k1q n GLN 80 Ca 0.02 -0.55 -0.25 0.00 0.07 0.00 0.00 57.00 56.29 2k1q n GLN 80 Cb 0.03 -1.49 0.03 0.00 2.41 0.00 0.00 30.24 31.22 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 -0.34 -2.93 -3.90 1.69 2.03 -0.25 -4.90 116.55 107.95 2k1q n ASP 81 Ca 0.21 -0.80 -0.11 0.00 0.52 0.00 0.00 54.79 54.62 2k1q n ASP 81 Cb 0.25 -3.99 -0.11 0.00 -0.72 0.00 0.00 41.12 36.54 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 -6.97 1.85 0.10 -2.67 1.43 -0.42 -0.94 118.68 111.05 2k1q s LEU 82 Ca 0.32 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 2k1q s LEU 82 Cb -0.16 0.34 0.01 0.00 0.03 0.00 0.00 46.19 46.42 2k1q s LEU 82 CO 0.82 -0.24 0.26 0.68 0.23 0.00 0.00 176.35 178.10 2k1q s VAL 83 N -0.97 0.12 0.03 -1.59 -7.23 -1.06 -0.98 120.40 108.71 2k1q s VAL 83 Ca -0.11 -0.97 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 2k1q s VAL 83 Cb -0.06 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 2k1q s VAL 83 CO 0.00 -0.54 0.02 -0.83 -0.31 0.00 0.00 175.10 173.44 2k1q s GLY 84 N -2.84 0.26 0.39 2.32 0.00 -0.92 -2.32 107.32 104.21 2k1q s GLY 84 Ca 0.04 -0.70 0.08 0.00 0.00 0.00 0.00 44.72 44.14 2k1q s GLY 84 CO -0.11 -0.80 0.12 -0.98 0.00 0.00 0.00 173.10 171.33 2k1q s TRP 85 N -2.37 2.60 -0.45 1.90 0.51 -1.08 -1.37 118.94 118.69 2k1q s TRP 85 Ca -0.07 -0.53 -0.29 0.00 -2.12 0.00 0.00 56.10 53.09 2k1q s TRP 85 Cb -0.03 -1.79 0.02 0.00 -0.81 0.00 0.00 33.47 30.86 2k1q s TRP 85 CO -0.04 0.30 1.27 -1.14 -0.51 0.00 0.00 176.95 176.83 2k1q s GLN 86 N -3.84 3.65 0.10 4.98 0.74 -0.01 -2.45 119.66 122.84 2k1q s GLN 86 Ca 0.39 0.74 -0.31 0.00 0.05 0.00 0.00 55.36 56.23 2k1q s GLN 86 Cb 0.03 -3.97 -0.07 0.00 1.10 0.00 0.00 33.01 30.09 2k1q s GLN 86 CO 0.21 -1.48 1.35 0.00 -0.55 0.00 0.00 175.29 174.83 2k1q s ALA 87 N 4.94 3.55 0.77 1.58 0.00 -1.20 -4.68 121.76 126.72 2k1q s ALA 87 Ca 0.54 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 2k1q s ALA 87 Cb -0.10 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.55 2k1q s ALA 87 CO 0.32 -0.58 1.09 -1.25 0.00 0.00 0.00 175.76 175.34 2k1q s PRO 88 N 1.10 2.28 0.77 0.00 0.04 -1.26 -4.92 135.00 133.01 2k1q s PRO 88 Ca 0.63 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 2k1q s PRO 88 Cb -0.35 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2k1q s PRO 88 CO 0.30 -1.63 1.09 -1.25 0.04 0.00 0.00 177.00 175.55 2k1q s PRO 89 N -4.90 2.30 0.00 0.56 0.04 -1.26 -3.98 135.00 127.75 2k1q s PRO 89 Ca 0.61 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2k1q s PRO 89 Cb -0.17 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2k1q s PRO 89 CO 0.56 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 176.40 2k1q n GLY 90 N -1.29 0.71 3.25 0.56 0.00 -1.26 -4.97 105.19 102.19 2k1q n GLY 90 Ca 0.09 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 1.59 -0.28 4.61 0.00 -1.26 -4.81 121.76 119.62 2k1q s ALA 91 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 2k1q s ALA 91 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2k1q s ALA 91 CO 0.00 0.29 0.19 1.03 0.00 0.00 0.00 175.76 177.27 2k1q s ARG 92 N -1.86 3.95 0.79 0.00 0.52 -1.26 -4.93 118.95 116.15 2k1q s ARG 92 Ca 0.04 -0.32 -0.11 0.00 -0.52 0.00 0.00 55.73 54.82 2k1q s ARG 92 Cb -0.10 -3.66 0.08 0.00 0.52 0.00 0.00 34.95 31.79 2k1q s ARG 92 CO 0.04 -0.18 1.14 -1.54 0.02 0.00 0.00 175.30 174.78 2k1q s SER 93 N 1.76 4.57 -0.14 0.23 1.04 -1.26 -2.95 113.70 116.94 2k1q s SER 93 Ca 0.07 0.70 -0.03 0.00 0.48 0.00 0.00 55.95 57.18 2k1q s SER 93 Cb -0.16 -1.23 -0.03 0.00 0.10 0.00 0.00 66.02 64.70 2k1q s SER 93 CO 0.11 -1.84 -0.05 -0.76 0.98 0.00 0.00 173.24 171.68 2k1q s LEU 94 N -5.50 3.21 0.73 2.42 1.43 -0.75 -4.92 118.68 115.30 2k1q s LEU 94 Ca 0.62 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 2k1q s LEU 94 Cb -0.11 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2k1q s LEU 94 CO 0.48 0.21 1.07 0.42 0.23 0.00 0.00 176.35 178.76 2k1q s THR 95 N 0.13 3.72 0.72 5.49 -4.23 -1.26 -4.38 115.64 115.82 2k1q s THR 95 Ca -0.02 0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 60.94 2k1q s THR 95 Cb -0.14 -3.19 0.02 0.00 1.34 0.00 0.00 72.50 70.53 2k1q s THR 95 CO 0.03 -0.73 1.10 -2.16 -0.54 0.00 0.00 174.62 172.32 2k1q s PRO 96 N -4.98 2.78 -0.00 3.99 0.04 -1.26 -0.10 135.00 135.46 2k1q s PRO 96 Ca 0.59 0.49 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 2k1q s PRO 96 Cb -0.15 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2k1q s PRO 96 CO 0.55 -1.10 0.97 0.00 0.04 0.00 0.00 177.00 177.47 2k1q n THR 98 N 3.90 1.15 -0.39 0.00 5.66 -1.26 -4.81 114.28 118.53 2k1q n THR 98 Ca 0.06 -4.41 0.00 0.00 -3.05 0.00 0.00 64.05 56.65 2k1q n THR 98 Cb 0.51 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 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 -0.40 3.59 0.00 0.00 -1.26 -4.93 105.19 102.18 2k1q n GLY 100 Ca 0.00 0.04 -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 -2.75 6.60 0.25 1.61 0.01 -1.26 -4.92 113.70 113.24 2k1q s SER 101 Ca 0.28 0.40 -0.06 0.00 1.31 0.00 0.00 55.95 57.88 2k1q s SER 101 Cb -0.12 -2.45 0.26 0.00 0.21 0.00 0.00 66.02 63.92 2k1q s SER 101 CO 0.34 -0.89 1.93 0.28 0.41 0.00 0.00 173.24 175.31 2k1q h SER 102 N 8.66 1.16 -3.76 2.44 0.02 -1.92 -3.42 113.55 116.72 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 1.08 -0.29 0.07 0.00 0.14 0.00 0.00 62.40 63.40 2k1q h SER 102 CO 0.98 0.84 0.71 -1.81 -1.14 0.00 0.00 176.83 176.41 2k1q s ASP 103 N -6.12 6.63 0.04 3.07 1.01 -1.26 -1.15 116.67 118.90 2k1q s ASP 103 Ca -0.13 2.77 0.02 0.00 0.71 0.00 0.00 52.55 55.93 2k1q s ASP 103 Cb 0.18 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 2k1q s ASP 103 CO 0.82 -0.66 -0.08 -0.76 0.21 0.00 0.00 175.17 174.69 2k1q s LEU 104 N -1.48 2.26 -0.24 1.23 1.43 0.07 -4.40 118.68 117.55 2k1q s LEU 104 Ca 0.53 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2k1q s LEU 104 Cb -0.42 -0.19 0.04 0.00 0.03 0.00 0.00 46.19 45.64 2k1q s LEU 104 CO 0.53 -0.19 -0.11 -0.31 0.23 0.00 0.00 176.35 176.50 2k1q s TYR 105 N -1.37 3.07 0.05 0.29 2.02 -0.58 -0.98 117.35 119.84 2k1q s TYR 105 Ca -0.09 -1.84 -0.07 0.00 -0.37 0.00 0.00 57.07 54.70 2k1q s TYR 105 Cb -0.10 -1.99 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 2k1q s TYR 105 CO 0.01 -0.80 0.31 -1.17 -1.57 0.00 0.00 175.55 172.33 2k1q s LEU 106 N 1.24 4.35 -0.16 -1.29 2.96 -1.21 -0.70 118.68 123.88 2k1q s LEU 106 Ca -0.02 0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 2k1q s LEU 106 Cb -0.17 -2.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.65 2k1q s LEU 106 CO -0.06 0.20 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.43 2k1q s VAL 107 N -1.38 3.73 0.50 1.68 1.01 -1.22 -3.14 120.40 121.57 2k1q s VAL 107 Ca 0.31 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.94 2k1q s VAL 107 Cb -0.13 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.68 2k1q s VAL 107 CO 0.18 0.49 0.53 0.35 0.00 0.00 0.00 175.10 176.65 2k1q n THR 108 N 3.69 0.00 0.27 3.92 -2.24 -1.21 -4.58 114.28 114.13 2k1q n THR 108 Ca -0.18 -1.83 0.16 0.00 -2.27 0.00 0.00 64.05 59.94 2k1q n THR 108 Cb 0.52 -0.31 0.67 0.00 -2.10 0.00 0.00 70.33 69.11 2k1q n THR 108 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2k1q h ARG 109 N 0.00 0.00 -0.78 -0.78 3.08 -1.92 -2.79 114.38 111.19 2k1q h ARG 109 Ca -0.28 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 2k1q h ARG 109 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2k1q h ARG 109 CO 0.42 0.05 0.05 0.72 -1.07 0.00 0.00 179.97 180.13 2k1q n HIS 110 N -3.17 1.32 -3.87 3.04 8.25 -1.26 -4.89 115.22 114.64 2k1q n HIS 110 Ca 0.00 -0.54 -0.29 0.00 -0.26 0.00 0.00 57.72 56.63 2k1q n HIS 110 Cb 0.31 -0.39 0.03 0.00 1.12 0.00 0.00 29.99 31.07 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 0.27 -1.28 -2.31 -1.41 0.00 -1.05 -4.97 120.51 109.76 2k1q n ALA 111 Ca 0.19 0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 2k1q n ALA 111 Cb 0.86 -4.64 -0.03 0.00 0.00 0.00 0.00 19.45 15.64 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 -3.29 5.15 -0.06 0.00 1.01 -1.26 -4.94 116.67 113.28 2k1q s ASP 112 Ca 0.66 -0.65 0.02 0.00 0.71 0.00 0.00 52.55 53.29 2k1q s ASP 112 Cb -0.33 -0.71 0.01 0.00 1.01 0.00 0.00 42.92 42.91 2k1q s ASP 112 CO 0.81 -0.56 -0.11 0.54 0.21 0.00 0.00 175.17 176.07 2k1q s VAL 113 N -2.41 1.00 -0.27 -1.27 0.11 -1.26 -3.32 120.40 112.98 2k1q s VAL 113 Ca 0.46 -0.40 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2k1q s VAL 113 Cb -0.04 -0.93 0.06 0.00 -1.53 0.00 0.00 36.38 33.94 2k1q s VAL 113 CO 0.28 0.33 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.65 2k1q s ILE 114 N 0.71 2.24 -0.29 7.04 1.09 -1.19 -4.94 121.20 125.86 2k1q s ILE 114 Ca -0.14 -1.67 -0.28 0.00 -1.10 0.00 0.00 60.65 57.46 2k1q s ILE 114 Cb -0.15 -2.34 -0.03 0.00 -1.06 0.00 0.00 42.46 38.87 2k1q s ILE 114 CO 0.03 -0.08 1.95 -2.16 -0.10 0.00 0.00 174.94 174.59 2k1q s PRO 115 N 1.10 3.25 -0.19 2.79 0.04 -1.26 -3.31 135.00 137.42 2k1q s PRO 115 Ca -0.07 1.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 2k1q s PRO 115 Cb -0.20 -4.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.06 2k1q s PRO 115 CO -0.05 -1.96 -0.04 0.08 0.04 0.00 0.00 177.00 175.07 2k1q s VAL 116 N 7.43 3.57 0.53 -0.36 1.01 -0.15 -3.71 120.40 128.73 2k1q s VAL 116 Ca 0.87 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 2k1q s VAL 116 Cb -0.26 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.45 2k1q s VAL 116 CO 0.34 0.45 0.99 -0.13 0.00 0.00 0.00 175.10 176.75 2k1q s ARG 117 N 1.03 3.87 -0.28 2.72 1.81 -0.94 -0.75 118.95 126.42 2k1q s ARG 117 Ca 0.01 0.94 -0.13 0.00 -1.72 0.00 0.00 55.73 54.83 2k1q s ARG 117 Cb -0.15 -2.12 -0.04 0.00 -0.45 0.00 0.00 34.95 32.19 2k1q s ARG 117 CO 0.00 -0.34 0.27 0.50 -0.68 0.00 0.00 175.30 175.06 2k1q s ARG 118 N -4.22 3.95 -0.13 3.54 3.52 -0.30 -1.82 118.95 123.49 2k1q s ARG 118 Ca 0.59 -0.19 0.16 0.00 -0.13 0.00 0.00 55.73 56.15 2k1q s ARG 118 Cb -0.10 -3.67 0.30 0.00 -1.56 0.00 0.00 34.95 29.92 2k1q s ARG 118 CO 0.35 -0.24 1.15 0.54 -0.81 0.00 0.00 175.30 176.29 2k1q n ARG 119 N 5.18 1.18 -3.24 5.12 5.12 -0.97 -4.94 116.66 124.11 2k1q n ARG 119 Ca -0.12 -2.57 0.00 0.00 -1.93 0.00 0.00 57.85 53.23 2k1q n ARG 119 Cb 0.51 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 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 -1.16 -1.45 0.26 -0.13 0.00 -1.18 -4.85 105.19 96.69 2k1q n GLY 120 Ca 0.15 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 1.01 0.00 1.61 1.82 -1.97 -3.34 116.42 115.54 2k1q h ASP 121 Ca 0.00 -0.48 -0.09 0.00 -0.39 0.00 0.00 57.03 56.07 2k1q h ASP 121 Cb 0.00 -0.28 -0.19 0.00 0.68 0.00 0.00 39.33 39.53 2k1q h ASP 121 CO 0.00 1.28 -0.75 -1.54 -1.61 0.00 0.00 179.24 176.62 2k1q n SER 122 N -4.05 1.30 -4.15 2.28 3.41 -1.26 -4.40 113.62 106.74 2k1q n SER 122 Ca -0.03 -2.83 -0.10 0.00 -0.26 0.00 0.00 58.87 55.66 2k1q n SER 122 Cb 0.56 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 2k1q n SER 122 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2k1q s ARG 123 N -1.44 0.83 0.32 4.33 1.81 -1.26 -1.34 118.95 122.21 2k1q s ARG 123 Ca 0.34 -1.36 -0.16 0.00 -1.72 0.00 0.00 55.73 52.83 2k1q s ARG 123 Cb 0.36 0.07 0.06 0.00 -0.45 0.00 0.00 34.95 34.99 2k1q s ARG 123 CO -0.11 -0.15 0.81 0.41 -0.68 0.00 0.00 175.30 175.58 2k1q n GLY 124 N -0.04 0.93 3.36 -3.53 0.00 -1.16 -2.28 105.19 102.47 2k1q n GLY 124 Ca -0.10 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.06 3.15 -0.28 1.61 1.04 -0.76 -2.96 113.70 112.45 2k1q s SER 125 Ca 0.17 -0.71 -0.17 0.00 0.48 0.00 0.00 55.95 55.72 2k1q s SER 125 Cb -0.04 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.83 2k1q s SER 125 CO 0.10 0.17 0.48 -0.22 0.98 0.00 0.00 173.24 174.75 2k1q s LEU 126 N -1.89 4.09 0.20 2.42 2.96 0.32 -2.22 118.68 124.55 2k1q s LEU 126 Ca 0.12 0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 54.33 2k1q s LEU 126 Cb -0.10 -2.59 0.11 0.00 0.50 0.00 0.00 46.19 44.11 2k1q s LEU 126 CO 0.05 -0.29 1.70 -0.07 -1.32 0.00 0.00 176.35 176.42 2k1q h LEU 127 N 8.78 1.08 -8.44 -0.68 4.07 -1.84 -3.41 115.31 114.87 2k1q h LEU 127 Ca -0.29 -0.25 -0.66 0.00 0.08 0.00 0.00 57.88 56.76 2k1q h LEU 127 Cb 1.14 -0.29 -0.27 0.00 1.08 0.00 0.00 40.66 42.33 2k1q h LEU 127 CO 0.70 1.06 -0.70 -0.94 -1.08 0.00 0.00 178.44 177.48 2k1q s SER 128 N -6.49 4.45 -0.12 -0.43 1.04 -1.26 -5.06 113.70 105.83 2k1q s SER 128 Ca -0.12 -0.36 -0.29 0.00 0.48 0.00 0.00 55.95 55.66 2k1q s SER 128 Cb 0.14 -1.77 -0.05 0.00 0.10 0.00 0.00 66.02 64.45 2k1q s SER 128 CO 0.85 -0.02 1.68 -2.16 0.98 0.00 0.00 173.24 174.57 2k1q s PRO 129 N 1.50 3.99 0.27 4.02 0.04 -1.26 -4.98 135.00 138.59 2k1q s PRO 129 Ca 0.06 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.23 2k1q s PRO 129 Cb -0.14 -4.03 -0.05 0.00 0.04 0.00 0.00 34.50 30.32 2k1q s PRO 129 CO -0.02 -1.07 -0.19 1.03 0.04 0.00 0.00 177.00 176.78 2k1q s ARG 130 N 4.40 1.65 0.76 4.56 1.81 -1.23 -4.94 118.95 125.96 2k1q s ARG 130 Ca 0.75 -1.75 -0.11 0.00 -1.72 0.00 0.00 55.73 52.89 2k1q s ARG 130 Cb -0.31 -1.71 0.05 0.00 -0.45 0.00 0.00 34.95 32.53 2k1q s ARG 130 CO 0.30 0.32 1.10 -1.25 -0.68 0.00 0.00 175.30 175.08 2k1q s PRO 131 N -3.52 2.31 0.35 3.54 0.04 -1.26 -1.25 135.00 135.22 2k1q s PRO 131 Ca 0.29 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.61 2k1q s PRO 131 Cb -0.05 -1.90 0.67 0.00 0.04 0.00 0.00 34.50 33.26 2k1q s PRO 131 CO 0.14 -1.61 1.87 0.28 0.04 0.00 0.00 177.00 177.73 2k1q h VAL 132 N -0.96 1.20 -0.81 -0.36 2.07 -1.66 -2.64 116.25 113.07 2k1q h VAL 132 Ca -0.44 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.23 2k1q h VAL 132 Cb 1.23 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 2k1q h VAL 132 CO 0.52 0.28 0.54 0.28 0.02 0.00 0.00 177.57 179.20 2k1q h SER 133 N 0.34 0.94 -1.00 0.57 0.02 -1.91 0.59 113.55 113.09 2k1q h SER 133 Ca 0.07 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2k1q h SER 133 Cb 0.40 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2k1q h SER 133 CO 0.02 0.68 0.66 0.22 -1.14 0.00 0.00 176.83 177.28 2k1q h TYR 134 N 1.11 1.26 0.00 3.45 3.20 -1.84 -2.39 116.97 121.76 2k1q h TYR 134 Ca 0.30 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.12 2k1q h TYR 134 Cb -0.12 -0.43 -0.01 0.00 1.54 0.00 0.00 36.73 37.71 2k1q h TYR 134 CO 0.00 0.80 -0.66 -0.07 -1.64 0.00 0.00 178.16 176.59 2k1q h LEU 135 N 1.36 0.00 -9.95 2.82 4.07 -1.45 -3.45 115.31 108.72 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 0.33 0.79 -0.54 -1.08 0.00 0.00 178.44 177.86 2k1q s LYS 136 N -3.07 4.09 0.00 1.13 -0.14 0.14 -1.59 119.74 120.30 2k1q s LYS 136 Ca 0.03 2.59 0.00 0.00 -1.36 0.00 0.00 55.97 57.23 2k1q s LYS 136 Cb 0.08 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 2k1q s LYS 136 CO 0.75 -0.56 0.00 0.41 -0.76 0.00 0.00 175.35 175.19 2k1q n GLY 137 N 0.44 0.79 0.46 -3.33 0.00 -1.26 -4.85 105.19 97.43 2k1q n GLY 137 Ca 0.01 0.00 0.06 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 0.00 1.91 -4.77 1.61 7.64 -0.62 -4.24 113.62 115.14 2k1q n SER 138 Ca 0.00 -1.46 -0.40 0.00 1.01 0.00 0.00 58.87 58.02 2k1q n SER 138 Cb 0.00 0.09 0.01 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.14 6.05 0.00 6.43 0.15 -1.26 -2.16 113.70 121.78 2k1q s SER 139 Ca 0.14 3.01 0.00 0.00 0.70 0.00 0.00 55.95 59.80 2k1q s SER 139 Cb 0.10 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2k1q s SER 139 CO 0.18 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.17 2k1q n GLY 140 N 0.50 3.42 3.74 9.45 0.00 -0.59 -3.12 105.19 118.59 2k1q n GLY 140 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.99 0.72 3.86 -0.02 0.00 -0.92 -3.85 105.19 102.99 2k1q n GLY 141 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.98 3.87 -0.39 1.61 0.04 -1.26 -1.96 135.00 133.93 2k1q s PRO 142 Ca 0.74 0.33 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 2k1q s PRO 142 Cb -0.41 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.17 2k1q s PRO 142 CO 0.47 0.53 0.26 -0.51 0.04 0.00 0.00 177.00 177.79 2k1q s LEU 143 N -1.89 4.87 -0.18 -3.56 1.02 -0.29 -3.42 118.68 115.24 2k1q s LEU 143 Ca 0.35 -0.84 -0.10 0.00 0.02 0.00 0.00 54.13 53.56 2k1q s LEU 143 Cb -0.15 -2.11 -0.05 0.00 0.02 0.00 0.00 46.19 43.90 2k1q s LEU 143 CO 0.18 -0.39 0.15 -0.76 0.02 0.00 0.00 176.35 175.55 2k1q s LEU 144 N 1.65 4.24 0.77 1.79 1.02 0.12 0.58 118.68 128.86 2k1q s LEU 144 Ca 0.04 0.30 -0.11 0.00 0.02 0.00 0.00 54.13 54.38 2k1q s LEU 144 Cb -0.19 -2.11 0.05 0.00 0.02 0.00 0.00 46.19 43.97 2k1q s LEU 144 CO 0.09 0.21 1.09 0.00 0.02 0.00 0.00 176.35 177.76 2k1q h PRO 146 N -1.11 0.00 -0.59 0.00 0.13 -1.92 0.25 132.00 128.75 2k1q h PRO 146 Ca -0.44 0.00 -0.11 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 0.52 0.00 -0.05 1.03 -0.23 0.00 0.00 178.00 179.27 2k1q h SER 147 N 0.00 1.06 0.00 1.44 0.87 -1.96 -3.47 113.55 111.49 2k1q h SER 147 Ca 0.11 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2k1q h SER 147 Cb 1.01 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2k1q h SER 147 CO -0.00 1.13 0.00 0.61 -0.53 0.00 0.00 176.83 178.04 2k1q n GLY 148 N -0.35 1.42 3.13 5.77 0.00 0.08 -5.15 105.19 110.09 2k1q n GLY 148 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2k1q n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k1q s HIS 149 N -1.98 1.05 0.45 1.61 3.76 -1.25 -4.86 115.29 114.07 2k1q s HIS 149 Ca 0.00 -0.42 -0.25 0.00 -0.15 0.00 0.00 55.06 54.25 2k1q s HIS 149 Cb 0.00 -0.61 -0.08 0.00 1.11 0.00 0.00 32.58 33.00 2k1q s HIS 149 CO 0.00 0.01 1.36 0.00 -0.85 0.00 0.00 174.74 175.27 2k1q s ALA 150 N -1.10 3.17 -0.02 -1.40 0.00 0.86 -1.74 121.76 121.52 2k1q s ALA 150 Ca -0.03 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2k1q s ALA 150 Cb -0.09 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2k1q s ALA 150 CO 0.01 -1.08 -0.02 0.28 0.00 0.00 0.00 175.76 174.95 2k1q n VAL 151 N -0.24 0.13 -3.84 0.00 0.31 0.20 0.53 118.33 115.42 2k1q n VAL 151 Ca 0.06 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2k1q n VAL 151 Cb 0.43 -0.66 0.01 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 3.35 0.60 3.16 2.92 0.00 -1.23 -1.61 105.19 112.37 2k1q n GLY 152 Ca -0.04 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.16 1.75 0.29 -0.61 1.01 -0.65 -1.13 121.20 119.70 2k1q s ILE 153 Ca 0.15 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 2k1q s ILE 153 Cb -0.01 -1.53 -0.11 0.00 0.01 0.00 0.00 42.46 40.82 2k1q s ILE 153 CO 0.01 0.49 1.61 0.12 0.00 0.00 0.00 174.94 177.17 2k1q s PHE 154 N 0.41 2.76 -0.07 3.97 5.36 -0.83 -1.64 117.98 127.94 2k1q s PHE 154 Ca -0.17 0.73 -0.05 0.00 -0.96 0.00 0.00 56.93 56.48 2k1q s PHE 154 Cb -0.17 -4.09 -0.04 0.00 -0.34 0.00 0.00 43.02 38.39 2k1q s PHE 154 CO 0.07 -3.70 -0.12 -2.13 -1.46 0.00 0.00 175.22 167.88 2k1q n ARG 155 N 2.36 0.19 -3.59 10.12 0.63 -0.44 -1.54 116.66 124.39 2k1q n ARG 155 Ca 0.09 0.08 -0.11 0.00 -0.92 0.00 0.00 57.85 57.00 2k1q n ARG 155 Cb 0.37 -0.83 -0.04 0.00 0.45 0.00 0.00 32.46 32.41 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 -2.20 -1.08 0.16 5.13 0.00 -1.22 -4.87 121.76 117.67 2k1q s ALA 156 Ca -0.12 0.07 0.07 0.00 0.00 0.00 0.00 51.96 51.98 2k1q s ALA 156 Cb 0.04 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2k1q s ALA 156 CO 0.16 -0.67 -0.03 0.00 0.00 0.00 0.00 175.76 175.22 2k1q s ALA 157 N -3.79 3.12 -0.24 0.00 0.00 -1.26 -1.91 121.76 117.68 2k1q s ALA 157 Ca 0.02 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 2k1q s ALA 157 Cb 0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 2k1q s ALA 157 CO -0.12 0.51 0.00 0.08 0.00 0.00 0.00 175.76 176.23 2k1q s VAL 158 N -1.63 3.68 0.05 0.00 1.01 0.39 -4.98 120.40 118.92 2k1q s VAL 158 Ca 0.26 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2k1q s VAL 158 Cb -0.10 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2k1q s VAL 158 CO 0.17 0.34 -0.11 0.00 0.00 0.00 0.00 175.10 175.50 2k1q h THR 160 N 4.42 1.27 0.00 0.00 1.35 -1.90 -3.44 112.91 114.61 2k1q h THR 160 Ca -0.38 -2.53 -0.24 0.00 -0.55 0.00 0.00 66.41 62.71 2k1q h THR 160 Cb 1.19 2.99 -0.15 0.00 -1.73 0.00 0.00 68.15 70.45 2k1q h THR 160 CO 0.41 0.75 -0.43 -2.11 -0.25 0.00 0.00 175.52 173.89 2k1q n ARG 161 N -3.93 1.00 0.00 4.72 1.85 -1.26 -4.92 116.66 114.12 2k1q n ARG 161 Ca -0.19 -1.90 0.00 0.00 -1.00 0.00 0.00 57.85 54.76 2k1q n ARG 161 Cb 0.93 -1.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.34 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 0.36 0.19 3.23 2.89 0.00 -1.26 -5.05 105.19 105.55 2k1q n GLY 162 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.06 2.66 -0.21 1.61 1.01 -1.26 -1.62 120.40 120.53 2k1q s VAL 163 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 2k1q s VAL 163 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2k1q s VAL 163 CO 0.00 0.50 0.30 0.00 0.00 0.00 0.00 175.10 175.90 2k1q s ALA 164 N 1.14 3.58 -0.08 5.51 0.00 -0.38 -2.44 121.76 129.10 2k1q s ALA 164 Ca 0.01 -0.63 0.13 0.00 0.00 0.00 0.00 51.96 51.47 2k1q s ALA 164 Cb -0.14 -2.48 -0.19 0.00 0.00 0.00 0.00 23.12 20.31 2k1q s ALA 164 CO -0.05 -0.19 0.16 1.63 0.00 0.00 0.00 175.76 177.31 2k1q n LYS 165 N 4.24 1.21 -4.01 0.00 4.76 -0.94 -3.48 118.16 119.95 2k1q n LYS 165 Ca -0.11 -0.06 -0.08 0.00 -2.87 0.00 0.00 58.31 55.18 2k1q n LYS 165 Cb 0.51 -1.33 -0.10 0.00 -1.84 0.00 0.00 35.03 32.27 2k1q n LYS 165 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k1q s ALA 166 N -2.62 0.22 0.06 7.82 0.00 -1.23 0.12 121.76 126.13 2k1q s ALA 166 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2k1q s ALA 166 Cb 0.06 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.39 2k1q s ALA 166 CO 0.56 -0.27 0.01 1.33 0.00 0.00 0.00 175.76 177.39 2k1q n VAL 167 N 0.90 0.00 -3.75 0.00 0.24 -1.16 -0.46 118.33 114.10 2k1q n VAL 167 Ca -0.19 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.64 2k1q n VAL 167 Cb 0.58 0.10 -0.12 0.00 -1.47 0.00 0.00 33.84 32.92 2k1q n VAL 167 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k1q s ASP 168 N -1.37 -0.27 0.08 -1.34 -1.08 -0.80 -2.98 116.67 108.90 2k1q s ASP 168 Ca 0.02 0.53 0.01 0.00 -0.52 0.00 0.00 52.55 52.58 2k1q s ASP 168 Cb 0.00 0.47 -0.04 0.00 -1.46 0.00 0.00 42.92 41.89 2k1q s ASP 168 CO 0.01 -0.13 -0.05 0.72 0.52 0.00 0.00 175.17 176.24 2k1q s PHE 169 N 0.75 0.72 -0.27 -5.34 -0.71 -0.45 -1.33 117.98 111.36 2k1q s PHE 169 Ca -0.05 -0.94 -0.12 0.00 -1.04 0.00 0.00 56.93 54.78 2k1q s PHE 169 Cb -0.06 -0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 41.25 2k1q s PHE 169 CO -0.05 -0.23 0.25 0.08 -1.34 0.00 0.00 175.22 173.93 2k1q s VAL 170 N -3.55 5.27 0.88 -2.49 1.01 -0.65 -4.32 120.40 116.55 2k1q s VAL 170 Ca 0.08 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 2k1q s VAL 170 Cb 0.05 -3.59 0.13 0.00 0.00 0.00 0.00 36.38 32.97 2k1q s VAL 170 CO -0.06 0.24 1.14 -2.16 0.00 0.00 0.00 175.10 174.25 2k1q s PRO 171 N 1.70 1.28 0.40 2.72 0.04 -1.26 -1.63 135.00 138.25 2k1q s PRO 171 Ca 0.10 1.48 0.18 0.00 0.04 0.00 0.00 61.00 62.80 2k1q s PRO 171 Cb -0.15 -1.76 0.83 0.00 0.04 0.00 0.00 34.50 33.46 2k1q s PRO 171 CO 0.09 -2.42 1.82 0.28 0.04 0.00 0.00 177.00 176.81 2k1q h VAL 172 N -1.71 0.95 -0.98 -0.36 2.07 -1.66 -3.09 116.25 111.47 2k1q h VAL 172 Ca -0.43 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 65.86 2k1q h VAL 172 Cb 1.26 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 2k1q h VAL 172 CO 0.44 0.33 0.64 1.05 0.02 0.00 0.00 177.57 180.04 2k1q h GLU 173 N 0.00 1.17 -0.47 1.57 4.11 -1.91 -2.03 114.58 117.02 2k1q h GLU 173 Ca -0.00 -0.07 -0.11 0.00 0.07 0.00 0.00 59.36 59.25 2k1q h GLU 173 Cb 0.73 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2k1q h GLU 173 CO 0.04 0.77 -0.13 0.66 0.07 0.00 0.00 179.01 180.42 2k1q h SER 174 N 1.20 0.89 -1.01 3.06 4.64 -1.91 -2.95 113.55 117.47 2k1q h SER 174 Ca 0.40 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2k1q h SER 174 Cb 0.07 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 61.87 2k1q h SER 174 CO -0.14 1.03 0.67 0.24 -0.87 0.00 0.00 176.83 177.76 2k1q h MET 175 N 0.79 1.32 -0.74 4.77 2.86 -1.46 -2.01 114.93 120.47 2k1q h MET 175 Ca 0.12 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2k1q h MET 175 Cb 0.66 -0.30 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2k1q h MET 175 CO 0.05 0.88 0.21 0.93 1.06 0.00 0.00 176.91 180.03 2k1q h GLU 176 N 1.36 1.16 0.00 1.72 4.39 -1.32 -2.51 114.58 119.39 2k1q h GLU 176 Ca 0.37 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 2k1q h GLU 176 Cb -0.16 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.32 2k1q h GLU 176 CO -0.08 1.00 -0.35 1.15 -1.16 0.00 0.00 179.01 179.57 2k1q h THR 177 N 1.11 1.13 -1.00 1.13 2.02 -1.29 -2.94 112.91 113.06 2k1q h THR 177 Ca 0.24 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 66.18 2k1q h THR 177 Cb 0.34 1.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 2k1q h THR 177 CO -0.00 0.34 0.66 0.74 0.37 0.00 0.00 175.52 177.63 2k1q h THR 178 N 0.00 1.26 -0.74 3.16 2.02 -0.91 -0.74 112.91 116.95 2k1q h THR 178 Ca -0.00 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 2k1q h THR 178 Cb 0.66 -0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 2k1q h THR 178 CO 0.05 0.25 0.41 0.24 0.37 0.00 0.00 175.52 176.83 2k1q h MET 179 N 1.36 1.03 -0.38 6.66 2.07 -1.53 0.59 114.93 124.74 2k1q h MET 179 Ca 0.37 -0.12 -0.16 0.00 -2.07 0.00 0.00 59.70 57.71 2k1q h MET 179 Cb -0.16 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.37 2k1q h MET 179 CO -0.08 0.77 -0.41 0.00 1.07 0.00 0.00 176.91 178.26 2k1q h ARG 180 N 1.02 0.94 0.00 1.72 3.08 -1.50 -3.01 114.38 116.64 2k1q h ARG 180 Ca 0.26 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2k1q h ARG 180 Cb 0.03 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2k1q h ARG 180 CO -0.04 1.16 -0.11 0.00 -1.07 0.00 0.00 179.97 179.91 2k1q n ALA 181 N -2.55 2.47 0.04 0.04 0.00 -0.33 -3.92 120.51 116.26 2k1q n ALA 181 Ca -0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 2k1q n ALA 181 Cb 0.56 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 2k1q n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k1q h SER 182 N 0.00 -0.00 -6.01 0.00 0.87 0.34 -3.48 113.55 105.27 2k1q h SER 182 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 2k1q h SER 182 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2k1q h SER 182 CO 0.00 -0.00 -0.56 1.17 -0.53 0.00 0.00 176.83 176.91 2k1q n LYS 183 N -5.09 -1.51 -1.76 2.24 4.81 -1.25 -4.85 118.16 110.74 2k1q n LYS 183 Ca -0.07 1.22 -0.41 0.00 -0.87 0.00 0.00 58.31 58.18 2k1q n LYS 183 Cb 0.03 -4.09 -0.01 0.00 0.02 0.00 0.00 35.03 30.98 2k1q n LYS 183 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2k1q s LYS 184 N -3.77 4.10 -0.10 1.64 -2.85 -1.26 -4.91 119.74 112.59 2k1q s LYS 184 Ca 0.04 2.61 0.16 0.00 -1.00 0.00 0.00 55.97 57.77 2k1q s LYS 184 Cb -0.01 -3.00 0.35 0.00 -2.06 0.00 0.00 37.83 33.12 2k1q s LYS 184 CO 0.82 -0.63 1.17 0.36 0.10 0.00 0.00 175.35 177.16 2k1q n LYS 185 N 1.75 0.80 0.00 1.78 2.85 -1.26 -5.28 118.16 118.80 2k1q n LYS 185 Ca 0.07 -2.47 0.04 0.00 -1.05 0.00 0.00 58.31 54.90 2k1q n LYS 185 Cb 0.38 -0.91 0.04 0.00 -0.65 0.00 0.00 35.03 33.88 2k1q n LYS 185 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52