#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1q n GLY 23 N 0.00 -1.67 3.66 3.41 0.00 -1.26 -4.78 105.19 104.55 2k1q n GLY 23 Ca 0.00 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 4.06 0.31 1.61 3.52 -1.26 -5.08 118.95 122.11 2k1q s ARG 24 Ca 0.00 -0.27 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 2k1q s ARG 24 Cb 0.00 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.79 2k1q s ARG 24 CO 0.00 0.06 0.07 -0.51 -0.81 0.00 0.00 175.30 174.11 2k1q s ASP 25 N 1.06 2.03 -1.55 -2.12 1.01 -1.26 -4.82 116.67 111.02 2k1q s ASP 25 Ca 0.07 -1.38 -0.14 0.00 0.71 0.00 0.00 52.55 51.81 2k1q s ASP 25 Cb -0.14 -0.01 0.09 0.00 1.01 0.00 0.00 42.92 43.87 2k1q s ASP 25 CO 0.05 -0.64 0.98 0.29 0.21 0.00 0.00 175.17 176.05 2k1q n LYS 26 N -0.62 -5.43 -3.35 8.23 5.02 -1.26 -4.94 118.16 115.81 2k1q n LYS 26 Ca -0.02 0.59 -0.15 0.00 -2.02 0.00 0.00 58.31 56.71 2k1q n LYS 26 Cb 0.67 -5.48 -0.07 0.00 -0.02 0.00 0.00 35.03 30.13 2k1q n LYS 26 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2k1q s ASN 27 N -3.30 0.92 0.00 4.39 3.84 -1.26 -4.76 114.94 114.77 2k1q s ASN 27 Ca 0.68 -1.38 0.00 0.00 0.21 0.00 0.00 52.86 52.37 2k1q s ASN 27 Cb -0.34 0.71 0.00 0.00 -0.55 0.00 0.00 41.25 41.07 2k1q s ASN 27 CO 0.84 -0.27 0.00 1.67 -2.79 0.00 0.00 177.10 176.55 2k1q n GLN 28 N 4.40 0.00 -4.12 0.43 7.27 -1.26 -5.04 117.38 119.06 2k1q n GLN 28 Ca 0.10 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 57.01 2k1q n GLN 28 Cb 0.46 -0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.97 2k1q n GLN 28 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2k1q s VAL 29 N -1.37 0.36 -0.16 1.69 0.11 -1.26 -5.14 120.40 114.64 2k1q s VAL 29 Ca 0.00 -0.22 -0.14 0.00 -2.93 0.00 0.00 61.98 58.70 2k1q s VAL 29 Cb 0.00 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 2k1q s VAL 29 CO 0.00 0.09 0.30 -0.70 -3.33 0.00 0.00 175.10 171.45 2k1q s GLU 30 N -0.14 4.24 0.00 1.54 2.12 -1.26 -4.60 118.70 120.59 2k1q s GLU 30 Ca 0.01 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.45 2k1q s GLU 30 Cb -0.02 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2k1q s GLU 30 CO -0.00 0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 2k1q n GLY 31 N 3.33 -1.95 0.32 -1.50 0.00 -1.26 -5.03 105.19 99.10 2k1q n GLY 31 Ca -0.12 0.91 -0.03 0.00 0.00 0.00 0.00 46.02 46.78 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 0.98 -5.13 1.61 5.08 -1.93 -3.40 114.58 111.79 2k1q h GLU 32 Ca 0.00 -0.17 -0.65 0.00 -1.00 0.00 0.00 59.36 57.54 2k1q h GLU 32 Cb 0.00 -0.16 -0.24 0.00 0.50 0.00 0.00 28.75 28.84 2k1q h GLU 32 CO 0.00 0.81 -0.68 0.08 -1.00 0.00 0.00 179.01 178.21 2k1q s VAL 33 N -5.43 3.74 0.20 3.13 1.01 -1.26 -2.95 120.40 118.85 2k1q s VAL 33 Ca -0.11 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 61.60 2k1q s VAL 33 Cb 0.16 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2k1q s VAL 33 CO 0.81 0.44 -0.21 -1.10 0.00 0.00 0.00 175.10 175.04 2k1q s GLN 34 N 0.98 1.63 -0.09 2.72 -0.21 -1.22 -5.02 119.66 118.45 2k1q s GLN 34 Ca 0.01 -1.52 -0.20 0.00 0.02 0.00 0.00 55.36 53.67 2k1q s GLN 34 Cb -0.14 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 2k1q s GLN 34 CO 0.01 0.39 0.54 0.08 -2.12 0.00 0.00 175.29 174.20 2k1q s VAL 35 N -1.80 5.11 0.21 1.09 1.01 -1.26 -2.94 120.40 121.82 2k1q s VAL 35 Ca 0.23 1.11 0.09 0.00 0.00 0.00 0.00 61.98 63.41 2k1q s VAL 35 Cb -0.08 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2k1q s VAL 35 CO 0.11 0.33 -0.18 0.68 0.00 0.00 0.00 175.10 176.05 2k1q s VAL 36 N 0.49 2.01 0.34 2.92 -7.23 -0.81 -4.31 120.40 113.82 2k1q s VAL 36 Ca 0.29 -2.18 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2k1q s VAL 36 Cb -0.16 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2k1q s VAL 36 CO 0.13 -0.44 0.27 -0.55 -0.31 0.00 0.00 175.10 174.20 2k1q s SER 37 N -3.16 1.80 0.03 4.85 0.15 0.15 -2.16 113.70 115.36 2k1q s SER 37 Ca 0.23 -1.76 0.01 0.00 0.70 0.00 0.00 55.95 55.12 2k1q s SER 37 Cb -0.04 0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2k1q s SER 37 CO 0.09 -1.06 0.03 0.41 1.20 0.00 0.00 173.24 173.91 2k1q n THR 38 N -0.65 0.00 -0.31 6.45 -1.04 0.13 -1.61 114.28 117.25 2k1q n THR 38 Ca 0.06 -0.22 -0.01 0.00 -2.04 0.00 0.00 64.05 61.85 2k1q n THR 38 Cb 0.62 0.11 0.17 0.00 -1.82 0.00 0.00 70.33 69.41 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 1.17 1.36 0.00 2.41 0.00 -1.98 -3.36 119.26 118.85 2k1q h ALA 39 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k1q h ALA 39 Cb 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2k1q h ALA 39 CO 0.03 0.59 0.00 -2.37 0.00 0.00 0.00 179.25 177.51 2k1q n THR 40 N -4.40 0.00 -4.41 0.00 5.66 -1.26 -5.10 114.28 104.77 2k1q n THR 40 Ca 0.10 -0.08 -0.26 0.00 -3.05 0.00 0.00 64.05 60.77 2k1q n THR 40 Cb 0.02 1.28 -0.10 0.00 -1.55 0.00 0.00 70.33 69.97 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 -0.10 1.70 -0.00 1.09 2.00 -1.26 -5.14 119.66 117.94 2k1q s GLN 41 Ca 0.00 -1.57 0.01 0.00 -2.00 0.00 0.00 55.36 51.80 2k1q s GLN 41 Cb 0.00 -1.88 -0.00 0.00 0.80 0.00 0.00 33.01 31.93 2k1q s GLN 41 CO 0.00 0.38 -0.05 -1.12 -0.50 0.00 0.00 175.29 174.00 2k1q s SER 42 N -3.06 0.56 0.19 6.67 0.01 -1.26 0.19 113.70 116.99 2k1q s SER 42 Ca 0.25 -0.09 -0.14 0.00 1.31 0.00 0.00 55.95 57.29 2k1q s SER 42 Cb -0.07 -0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.14 2k1q s SER 42 CO 0.13 0.06 0.69 2.22 0.41 0.00 0.00 173.24 176.74 2k1q n PHE 43 N 2.99 -1.44 -4.06 2.43 1.16 -0.92 -4.61 117.46 113.02 2k1q n PHE 43 Ca -0.13 -1.07 -0.26 0.00 -1.87 0.00 0.00 57.45 54.12 2k1q n PHE 43 Cb 0.58 0.53 -0.04 0.00 -1.61 0.00 0.00 39.48 38.94 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 2.83 0.07 5.98 1.43 0.29 -1.92 118.68 127.35 2k1q s LEU 44 Ca 0.15 -1.21 -0.13 0.00 -1.03 0.00 0.00 54.13 51.91 2k1q s LEU 44 Cb -0.03 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.94 2k1q s LEU 44 CO 0.06 -0.86 0.29 0.00 0.23 0.00 0.00 176.35 176.07 2k1q s ALA 45 N -2.71 -0.60 -0.02 4.21 0.00 -1.15 -3.80 121.76 117.69 2k1q s ALA 45 Ca 0.33 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.20 2k1q s ALA 45 Cb 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 2k1q s ALA 45 CO 0.19 -0.47 -0.25 0.99 0.00 0.00 0.00 175.76 176.23 2k1q s THR 46 N -3.05 2.14 -0.41 0.00 2.01 -1.16 -3.42 115.64 111.75 2k1q s THR 46 Ca -0.01 -1.08 -0.14 0.00 0.31 0.00 0.00 61.69 60.77 2k1q s THR 46 Cb 0.01 -1.74 0.03 0.00 0.01 0.00 0.00 72.50 70.81 2k1q s THR 46 CO -0.06 0.58 0.29 0.00 -0.69 0.00 0.00 174.62 174.73 2k1q s VAL 48 N 1.64 2.02 -1.47 0.00 1.01 0.86 -1.22 120.40 123.24 2k1q s VAL 48 Ca 0.04 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 2k1q s VAL 48 Cb -0.20 -1.71 0.06 0.00 0.00 0.00 0.00 36.38 34.52 2k1q s VAL 48 CO 0.09 0.56 0.89 0.59 0.00 0.00 0.00 175.10 177.23 2k1q n ASN 49 N 3.07 -5.24 -1.11 3.32 5.03 -1.26 -1.18 115.26 117.90 2k1q n ASN 49 Ca -0.18 -0.59 -0.11 0.00 0.87 0.00 0.00 54.58 54.57 2k1q n ASN 49 Cb 0.52 -4.19 -0.02 0.00 -1.02 0.00 0.00 39.78 35.07 2k1q n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k1q n GLY 50 N -1.66 0.35 2.79 7.41 0.00 -1.26 -5.01 105.19 107.82 2k1q n GLY 50 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.50 -0.06 -0.49 1.61 1.01 -0.32 -3.15 120.40 116.51 2k1q s VAL 51 Ca 0.00 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 2k1q s VAL 51 Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.31 2k1q s VAL 51 CO 0.00 0.09 0.88 0.00 0.00 0.00 0.00 175.10 176.07 2k1q s TRP 53 N 3.65 3.44 0.39 0.00 0.52 0.39 -1.57 118.94 125.76 2k1q s TRP 53 Ca 0.32 0.80 -0.14 0.00 0.02 0.00 0.00 56.10 57.10 2k1q s TRP 53 Cb -0.12 -2.21 0.06 0.00 -1.15 0.00 0.00 33.47 30.05 2k1q s TRP 53 CO 0.23 0.25 0.77 -2.37 0.02 0.00 0.00 176.95 175.85 2k1q n THR 54 N -0.34 0.00 -3.70 2.01 5.66 -0.66 -2.98 114.28 114.26 2k1q n THR 54 Ca -0.00 -0.98 -0.29 0.00 -3.05 0.00 0.00 64.05 59.72 2k1q n THR 54 Cb 0.53 0.97 -0.04 0.00 -1.55 0.00 0.00 70.33 70.24 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 -2.12 5.21 0.14 1.08 0.11 -1.26 -2.35 120.40 121.20 2k1q s VAL 55 Ca 0.16 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 2k1q s VAL 55 Cb -0.05 -3.68 -0.05 0.00 -1.53 0.00 0.00 36.38 31.07 2k1q s VAL 55 CO 0.12 -0.06 1.46 0.22 -3.33 0.00 0.00 175.10 173.51 2k1q h TYR 56 N 2.42 1.13 0.00 1.54 5.03 -1.37 -1.65 116.97 124.08 2k1q h TYR 56 Ca -0.47 -0.35 0.00 0.00 2.58 0.00 0.00 58.73 60.49 2k1q h TYR 56 Cb 1.18 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.22 2k1q h TYR 56 CO 0.58 1.19 0.00 1.12 -1.32 0.00 0.00 178.16 179.73 2k1q h HIS 57 N 0.76 0.00 0.00 -3.82 2.07 -1.96 0.72 115.15 112.92 2k1q h HIS 57 Ca 0.05 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.37 2k1q h HIS 57 Cb 1.01 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.96 2k1q h HIS 57 CO 0.07 0.00 -1.23 0.41 -3.07 0.00 0.00 177.93 174.11 2k1q n GLY 58 N -0.12 -0.82 0.24 6.13 0.00 -1.16 -4.75 105.19 104.71 2k1q n GLY 58 Ca 0.00 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.57 1.50 -0.59 4.61 0.00 -0.63 -4.92 120.51 116.91 2k1q n ALA 59 Ca -0.29 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.22 2k1q n ALA 59 Cb 0.61 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 1.75 -1.26 2.60 0.00 0.00 0.25 -3.88 105.19 104.66 2k1q n GLY 60 Ca -0.44 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.41 6.63 -4.16 1.61 2.88 -1.26 -4.89 113.62 113.02 2k1q n SER 61 Ca 0.00 -2.97 -0.12 0.00 -1.33 0.00 0.00 58.87 54.45 2k1q n SER 61 Cb 0.00 -1.48 -0.09 0.00 -0.75 0.00 0.00 64.21 61.89 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 0.64 1.26 0.59 -1.46 1.02 -1.25 -5.07 119.74 115.46 2k1q s LYS 62 Ca 0.52 -1.57 -0.19 0.00 0.02 0.00 0.00 55.97 54.75 2k1q s LYS 62 Cb 0.15 0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 37.72 2k1q s LYS 62 CO -0.06 -0.43 1.19 0.95 -0.92 0.00 0.00 175.35 176.08 2k1q s THR 63 N -4.13 2.73 0.01 2.17 -4.23 -1.26 -4.66 115.64 106.26 2k1q s THR 63 Ca 0.36 0.45 0.07 0.00 -1.18 0.00 0.00 61.69 61.40 2k1q s THR 63 Cb 0.06 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 2k1q s THR 63 CO 0.12 -0.10 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.67 2k1q s LEU 64 N -4.04 2.45 -0.41 4.79 2.96 -1.00 -4.93 118.68 118.49 2k1q s LEU 64 Ca 0.76 -0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 54.10 2k1q s LEU 64 Cb -0.29 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 44.97 2k1q s LEU 64 CO 0.32 0.29 0.40 0.00 -1.32 0.00 0.00 176.35 176.04 2k1q s ALA 65 N -0.79 3.44 0.50 5.97 0.00 -0.63 -1.38 121.76 128.87 2k1q s ALA 65 Ca 0.12 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.55 2k1q s ALA 65 Cb -0.10 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2k1q s ALA 65 CO 0.02 -1.53 0.03 0.20 0.00 0.00 0.00 175.76 174.48 2k1q s GLY 66 N 1.77 2.91 0.40 0.00 0.00 -0.95 -0.67 107.32 110.79 2k1q s GLY 66 Ca 0.10 -0.71 0.10 0.00 0.00 0.00 0.00 44.72 44.21 2k1q s GLY 66 CO 0.13 -2.17 1.95 -0.56 0.00 0.00 0.00 173.10 172.45 2k1q h PRO 67 N 1.38 0.21 -0.04 2.90 0.13 -1.98 -2.18 132.00 132.42 2k1q h PRO 67 Ca -0.44 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 2k1q h PRO 67 Cb 1.30 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2k1q h PRO 67 CO 0.74 0.33 -0.59 0.87 -0.23 0.00 0.00 178.00 179.12 2k1q h LYS 68 N 0.20 0.13 0.00 0.86 1.79 -1.95 -3.49 116.57 114.10 2k1q h LYS 68 Ca 0.04 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2k1q h LYS 68 Cb 0.32 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2k1q h LYS 68 CO 0.02 0.68 0.00 0.41 -1.08 0.00 0.00 179.45 179.47 2k1q n GLY 69 N 0.19 0.98 3.75 3.86 0.00 -0.82 -5.07 105.19 108.08 2k1q n GLY 69 Ca -0.02 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.99 4.37 -0.10 1.61 0.04 -1.26 -2.23 135.00 135.44 2k1q s PRO 70 Ca 0.00 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.23 2k1q s PRO 70 Cb 0.00 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 31.41 2k1q s PRO 70 CO 0.00 -0.23 -0.24 0.42 0.04 0.00 0.00 177.00 176.99 2k1q s ILE 71 N -0.52 2.07 0.34 0.56 1.01 -0.48 -4.95 121.20 119.24 2k1q s ILE 71 Ca 0.53 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 2k1q s ILE 71 Cb -0.39 -1.79 -0.09 0.00 0.01 0.00 0.00 42.46 40.21 2k1q s ILE 71 CO 0.46 0.56 0.77 0.42 0.00 0.00 0.00 174.94 177.15 2k1q s THR 72 N 0.34 4.64 0.05 2.92 -4.23 -1.26 -2.39 115.64 115.71 2k1q s THR 72 Ca -0.19 1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 61.31 2k1q s THR 72 Cb -0.18 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 2k1q s THR 72 CO 0.09 -0.23 0.25 0.00 -0.54 0.00 0.00 174.62 174.20 2k1q s GLN 73 N -3.06 3.51 -0.04 3.99 0.00 -1.26 -3.30 119.66 119.49 2k1q s GLN 73 Ca 0.55 -0.27 0.06 0.00 -0.00 0.00 0.00 55.36 55.71 2k1q s GLN 73 Cb -0.10 -3.02 -0.09 0.00 0.00 0.00 0.00 33.01 29.80 2k1q s GLN 73 CO 0.17 0.60 0.08 -1.33 0.00 0.00 0.00 175.29 174.81 2k1q n MET 74 N 0.54 1.75 -5.27 9.60 2.81 -0.25 -4.92 117.12 121.39 2k1q n MET 74 Ca -0.07 -0.03 -0.31 0.00 -1.81 0.00 0.00 57.70 55.48 2k1q n MET 74 Cb 0.52 -1.16 -0.16 0.00 -0.71 0.00 0.00 33.22 31.71 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 -2.29 2.42 -0.04 2.03 2.02 -1.16 -4.96 117.35 115.38 2k1q s TYR 75 Ca -0.03 -0.69 -0.01 0.00 -0.37 0.00 0.00 57.07 55.97 2k1q s TYR 75 Cb 0.03 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 2k1q s TYR 75 CO 0.26 -0.20 0.07 0.99 -1.57 0.00 0.00 175.55 175.11 2k1q s THR 76 N -0.22 -0.09 -0.24 -0.71 2.01 -1.26 -1.83 115.64 113.30 2k1q s THR 76 Ca -0.02 0.29 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 2k1q s THR 76 Cb -0.13 -0.15 0.08 0.00 0.01 0.00 0.00 72.50 72.31 2k1q s THR 76 CO 0.03 0.12 0.12 0.21 -0.69 0.00 0.00 174.62 174.41 2k1q s ASN 77 N 1.53 2.88 0.05 3.53 3.84 -0.92 -5.00 114.94 120.86 2k1q s ASN 77 Ca -0.04 -0.95 -0.19 0.00 0.21 0.00 0.00 52.86 51.90 2k1q s ASN 77 Cb -0.12 -0.24 -0.13 0.00 -0.55 0.00 0.00 41.25 40.20 2k1q s ASN 77 CO -0.04 -0.40 1.35 0.58 -2.79 0.00 0.00 177.10 175.81 2k1q h VAL 78 N 6.40 1.34 -0.04 -5.21 2.07 -1.96 0.26 116.25 119.12 2k1q h VAL 78 Ca -0.18 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 65.98 2k1q h VAL 78 Cb 1.08 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2k1q h VAL 78 CO 0.37 0.41 0.02 -0.78 0.02 0.00 0.00 177.57 177.61 2k1q h ASP 79 N 0.09 0.03 1.00 0.57 1.82 -1.98 -2.22 116.42 115.74 2k1q h ASP 79 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2k1q h ASP 79 Cb 0.74 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.74 2k1q h ASP 79 CO 0.05 0.02 0.00 1.67 -1.61 0.00 0.00 179.24 179.37 2k1q n GLN 80 N -5.07 0.00 -3.71 0.28 7.27 -1.23 -4.93 117.38 109.99 2k1q n GLN 80 Ca -0.06 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.77 2k1q n GLN 80 Cb 0.03 -1.50 0.04 0.00 2.41 0.00 0.00 30.24 31.23 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2k1q n ASP 81 N -1.50 -2.83 -3.75 1.69 2.03 0.87 -4.90 116.55 108.16 2k1q n ASP 81 Ca 0.07 -0.75 -0.14 0.00 0.52 0.00 0.00 54.79 54.49 2k1q n ASP 81 Cb 0.34 -4.26 -0.14 0.00 -0.72 0.00 0.00 41.12 36.34 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 -6.87 0.77 0.15 -2.67 1.43 -0.88 -0.99 118.68 109.62 2k1q s LEU 82 Ca 0.25 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 2k1q s LEU 82 Cb -0.12 0.35 -0.04 0.00 0.03 0.00 0.00 46.19 46.40 2k1q s LEU 82 CO 0.80 -0.14 -0.11 0.68 0.23 0.00 0.00 176.35 177.81 2k1q s VAL 83 N 1.13 1.24 0.08 -1.59 -7.23 -0.99 -2.16 120.40 110.88 2k1q s VAL 83 Ca -0.09 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.01 2k1q s VAL 83 Cb -0.11 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2k1q s VAL 83 CO -0.06 -0.73 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.12 2k1q s GLY 84 N -3.19 0.65 0.28 2.32 0.00 -0.76 -1.66 107.32 104.97 2k1q s GLY 84 Ca 0.17 -1.20 0.12 0.00 0.00 0.00 0.00 44.72 43.82 2k1q s GLY 84 CO 0.01 -1.29 -0.19 -0.98 0.00 0.00 0.00 173.10 170.65 2k1q s TRP 85 N -3.21 2.30 -0.03 1.90 0.51 -0.61 -1.09 118.94 118.71 2k1q s TRP 85 Ca 0.06 -0.34 -0.30 0.00 -2.12 0.00 0.00 56.10 53.40 2k1q s TRP 85 Cb 0.03 -1.01 -0.05 0.00 -0.81 0.00 0.00 33.47 31.62 2k1q s TRP 85 CO -0.05 0.71 1.36 1.14 -0.51 0.00 0.00 176.95 179.60 2k1q s GLN 86 N -3.52 4.29 0.08 4.98 -2.07 -1.21 -2.62 119.66 119.59 2k1q s GLN 86 Ca 0.30 1.89 -0.31 0.00 -1.82 0.00 0.00 55.36 55.42 2k1q s GLN 86 Cb -0.05 -3.60 -0.06 0.00 -1.09 0.00 0.00 33.01 28.21 2k1q s GLN 86 CO 0.15 -0.57 1.25 0.00 -1.32 0.00 0.00 175.29 174.81 2k1q s ALA 87 N 2.51 3.45 0.76 2.60 0.00 -1.19 -4.85 121.76 125.04 2k1q s ALA 87 Ca 0.62 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 2k1q s ALA 87 Cb -0.29 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.41 2k1q s ALA 87 CO 0.25 -0.49 1.09 -1.25 0.00 0.00 0.00 175.76 175.36 2k1q s PRO 88 N 1.07 2.32 0.31 0.00 0.04 -1.26 -4.97 135.00 132.51 2k1q s PRO 88 Ca 0.60 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 2k1q s PRO 88 Cb -0.32 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 2k1q s PRO 88 CO 0.29 -1.59 1.24 -1.25 0.04 0.00 0.00 177.00 175.73 2k1q s PRO 89 N -4.85 4.45 0.00 0.56 0.04 -1.26 -2.77 135.00 131.17 2k1q s PRO 89 Ca 0.61 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2k1q s PRO 89 Cb -0.17 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2k1q s PRO 89 CO 0.55 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.94 2k1q n GLY 90 N 1.00 3.45 3.78 0.56 0.00 -1.26 -4.92 105.19 107.80 2k1q n GLY 90 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.86 2.70 0.57 4.61 0.00 -1.11 -4.23 121.76 121.44 2k1q s ALA 91 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2k1q s ALA 91 Cb 0.00 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.80 2k1q s ALA 91 CO 0.00 -0.75 0.81 1.03 0.00 0.00 0.00 175.76 176.85 2k1q s ARG 92 N -3.28 2.49 0.14 0.00 0.52 -1.26 -4.93 118.95 112.62 2k1q s ARG 92 Ca 0.72 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 55.26 2k1q s ARG 92 Cb -0.23 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 2k1q s ARG 92 CO 0.27 -0.79 -0.09 -1.54 0.02 0.00 0.00 175.30 173.16 2k1q s SER 93 N -4.44 1.67 -0.13 0.23 1.04 -1.26 -4.68 113.70 106.13 2k1q s SER 93 Ca 0.58 -1.01 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 2k1q s SER 93 Cb -0.10 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 2k1q s SER 93 CO 0.39 -0.36 -0.07 -0.76 0.98 0.00 0.00 173.24 173.43 2k1q s LEU 94 N -3.15 3.09 0.68 2.42 1.43 -0.35 -4.91 118.68 117.88 2k1q s LEU 94 Ca 0.16 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2k1q s LEU 94 Cb 0.03 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 2k1q s LEU 94 CO -0.00 0.21 1.05 0.42 0.23 0.00 0.00 176.35 178.26 2k1q s THR 95 N 0.09 4.20 0.74 5.49 -4.23 -1.26 -4.28 115.64 116.40 2k1q s THR 95 Ca -0.02 0.71 -0.11 0.00 -1.18 0.00 0.00 61.69 61.09 2k1q s THR 95 Cb -0.14 -3.52 0.04 0.00 1.34 0.00 0.00 72.50 70.21 2k1q s THR 95 CO 0.03 -0.93 1.09 -2.16 -0.54 0.00 0.00 174.62 172.11 2k1q s PRO 96 N -5.08 2.53 0.04 3.99 0.04 -1.26 -0.07 135.00 135.19 2k1q s PRO 96 Ca 0.57 0.60 -0.31 0.00 0.04 0.00 0.00 61.00 61.91 2k1q s PRO 96 Cb -0.13 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2k1q s PRO 96 CO 0.55 -1.30 1.26 0.00 0.04 0.00 0.00 177.00 177.55 2k1q n THR 98 N 4.14 1.36 -0.43 0.00 -2.24 -1.26 -4.80 114.28 111.05 2k1q n THR 98 Ca 0.10 -4.33 0.00 0.00 -2.27 0.00 0.00 64.05 57.56 2k1q n THR 98 Cb 0.45 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2k1q n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q n GLY 100 N 0.00 -0.49 3.64 0.00 0.00 -1.26 -4.97 105.19 102.11 2k1q n GLY 100 Ca 0.00 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.06 6.08 0.41 1.61 0.15 -1.26 -4.96 113.70 112.67 2k1q s SER 101 Ca 0.46 0.07 0.20 0.00 0.70 0.00 0.00 55.95 57.38 2k1q s SER 101 Cb -0.20 -2.11 0.87 0.00 -1.71 0.00 0.00 66.02 62.87 2k1q s SER 101 CO 0.56 0.03 1.82 0.77 1.20 0.00 0.00 173.24 177.63 2k1q h SER 102 N 7.76 0.00 -2.80 5.45 4.64 -1.93 -3.44 113.55 123.23 2k1q h SER 102 Ca -0.37 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.42 2k1q h SER 102 Cb 1.18 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.31 2k1q h SER 102 CO 0.63 0.30 0.90 -1.81 -0.87 0.00 0.00 176.83 175.98 2k1q s ASP 103 N -6.41 6.56 -0.01 4.97 1.01 -1.26 -0.55 116.67 120.97 2k1q s ASP 103 Ca -0.01 2.65 0.01 0.00 0.71 0.00 0.00 52.55 55.91 2k1q s ASP 103 Cb 0.12 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.46 2k1q s ASP 103 CO 0.66 -0.85 -0.02 -0.76 0.21 0.00 0.00 175.17 174.42 2k1q s LEU 104 N 1.15 1.69 -0.25 1.23 1.43 0.37 -4.27 118.68 120.04 2k1q s LEU 104 Ca 0.71 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.69 2k1q s LEU 104 Cb -0.45 -0.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 2k1q s LEU 104 CO 0.31 -0.01 0.06 -0.31 0.23 0.00 0.00 176.35 176.63 2k1q s TYR 105 N 0.34 3.07 -0.09 0.29 2.02 -0.56 -0.54 117.35 121.88 2k1q s TYR 105 Ca -0.03 -0.49 -0.09 0.00 -0.37 0.00 0.00 57.07 56.09 2k1q s TYR 105 Cb -0.06 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 2k1q s TYR 105 CO -0.01 -0.38 0.21 -1.17 -1.57 0.00 0.00 175.55 172.63 2k1q s LEU 106 N 1.60 4.41 -0.19 -1.29 2.96 -1.09 -0.95 118.68 124.14 2k1q s LEU 106 Ca 0.06 0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 54.49 2k1q s LEU 106 Cb -0.15 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 2k1q s LEU 106 CO 0.03 0.39 0.08 -0.69 -1.32 0.00 0.00 176.35 174.83 2k1q s VAL 107 N -1.05 4.94 0.62 1.68 1.01 -1.22 -2.71 120.40 123.67 2k1q s VAL 107 Ca 0.17 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.25 2k1q s VAL 107 Cb -0.13 -3.23 0.10 0.00 0.00 0.00 0.00 36.38 33.12 2k1q s VAL 107 CO 0.07 0.46 0.86 0.42 0.00 0.00 0.00 175.10 176.90 2k1q s THR 108 N 0.36 2.08 -0.04 3.92 -4.23 -0.61 -4.29 115.64 112.81 2k1q s THR 108 Ca 0.04 -0.91 0.31 0.00 -1.18 0.00 0.00 61.69 59.95 2k1q s THR 108 Cb -0.12 -2.17 0.36 0.00 1.34 0.00 0.00 72.50 71.91 2k1q s THR 108 CO -0.00 0.00 1.92 -0.09 -0.54 0.00 0.00 174.62 175.90 2k1q h ARG 109 N -0.02 0.00 -0.87 3.99 2.43 -1.88 -2.91 114.38 115.11 2k1q h ARG 109 Ca -0.30 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.68 2k1q h ARG 109 Cb 1.28 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.72 2k1q h ARG 109 CO 0.40 0.00 0.24 0.72 -1.51 0.00 0.00 179.97 179.82 2k1q n HIS 110 N -2.86 1.74 -3.73 2.20 8.25 -1.26 -4.88 115.22 114.68 2k1q n HIS 110 Ca 0.01 -0.98 -0.28 0.00 -0.26 0.00 0.00 57.72 56.21 2k1q n HIS 110 Cb 0.28 -0.56 0.03 0.00 1.12 0.00 0.00 29.99 30.86 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 -0.13 -1.22 -2.35 -1.41 0.00 -1.10 -4.97 120.51 109.32 2k1q n ALA 111 Ca 0.30 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.65 2k1q n ALA 111 Cb 1.10 -4.36 -0.16 0.00 0.00 0.00 0.00 19.45 16.03 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 -3.17 3.01 -0.04 0.00 1.01 -1.26 -4.95 116.67 111.28 2k1q s ASP 112 Ca 0.59 -0.47 0.06 0.00 0.71 0.00 0.00 52.55 53.44 2k1q s ASP 112 Cb -0.29 -0.38 -0.02 0.00 1.01 0.00 0.00 42.92 43.23 2k1q s ASP 112 CO 0.73 0.31 -0.19 0.68 0.21 0.00 0.00 175.17 176.91 2k1q s VAL 113 N -0.56 2.63 0.11 -1.27 -7.23 -1.26 -1.58 120.40 111.23 2k1q s VAL 113 Ca 0.09 -0.89 0.09 0.00 -1.81 0.00 0.00 61.98 59.45 2k1q s VAL 113 Cb -0.10 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2k1q s VAL 113 CO -0.01 0.58 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.52 2k1q s ILE 114 N -0.68 1.80 -0.11 -0.62 1.09 -1.10 -4.95 121.20 116.63 2k1q s ILE 114 Ca 0.11 -1.58 -0.26 0.00 -1.10 0.00 0.00 60.65 57.82 2k1q s ILE 114 Cb -0.10 -1.62 -0.02 0.00 -1.06 0.00 0.00 42.46 39.65 2k1q s ILE 114 CO -0.00 -0.04 0.85 -2.16 -0.10 0.00 0.00 174.94 173.49 2k1q s PRO 115 N -1.93 4.39 -0.06 2.79 0.04 -1.26 -2.66 135.00 136.31 2k1q s PRO 115 Ca 0.08 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.24 2k1q s PRO 115 Cb -0.10 -3.52 0.01 0.00 0.04 0.00 0.00 34.50 30.93 2k1q s PRO 115 CO 0.04 -0.18 -0.12 0.08 0.04 0.00 0.00 177.00 176.86 2k1q s VAL 116 N 1.60 1.13 0.26 -0.36 1.01 0.30 -3.92 120.40 120.42 2k1q s VAL 116 Ca 0.42 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 2k1q s VAL 116 Cb -0.18 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.09 2k1q s VAL 116 CO 0.17 0.35 0.74 -0.60 0.00 0.00 0.00 175.10 175.76 2k1q s ARG 117 N 0.66 4.19 -0.15 2.72 6.06 -1.02 -0.48 118.95 130.93 2k1q s ARG 117 Ca -0.14 0.83 -0.27 0.00 -2.50 0.00 0.00 55.73 53.65 2k1q s ARG 117 Cb -0.16 -2.74 -0.01 0.00 0.06 0.00 0.00 34.95 32.10 2k1q s ARG 117 CO 0.04 0.32 0.89 0.50 -2.50 0.00 0.00 175.30 174.55 2k1q s ARG 118 N -2.28 4.34 -0.16 5.12 3.52 0.29 -1.21 118.95 128.57 2k1q s ARG 118 Ca 0.47 1.15 0.18 0.00 -0.13 0.00 0.00 55.73 57.39 2k1q s ARG 118 Cb -0.15 -3.56 0.44 0.00 -1.56 0.00 0.00 34.95 30.12 2k1q s ARG 118 CO 0.20 -0.32 1.32 0.54 -0.81 0.00 0.00 175.30 176.23 2k1q n ARG 119 N 5.14 2.31 0.00 5.12 5.12 0.71 -4.92 116.66 130.14 2k1q n ARG 119 Ca 0.06 -2.74 0.00 0.00 -1.93 0.00 0.00 57.85 53.24 2k1q n ARG 119 Cb 0.49 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 -0.86 -0.69 0.34 -0.13 0.00 -0.92 -4.78 105.19 98.16 2k1q n GLY 120 Ca 0.19 -1.20 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 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 1.03 0.00 1.61 1.82 -1.98 -3.24 116.42 115.66 2k1q h ASP 121 Ca 0.00 -0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.56 2k1q h ASP 121 Cb 0.00 -0.26 -0.11 0.00 0.68 0.00 0.00 39.33 39.64 2k1q h ASP 121 CO 0.00 0.75 -0.55 -1.54 -1.61 0.00 0.00 179.24 176.29 2k1q n SER 122 N -4.46 1.24 -4.16 2.28 3.41 -1.26 -4.63 113.62 106.04 2k1q n SER 122 Ca 0.10 -2.74 -0.24 0.00 -0.26 0.00 0.00 58.87 55.73 2k1q n SER 122 Cb 0.01 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 63.45 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 -1.47 1.37 0.16 4.33 6.06 -1.22 -1.77 118.95 126.40 2k1q s ARG 123 Ca 0.27 -0.64 -0.02 0.00 -2.50 0.00 0.00 55.73 52.84 2k1q s ARG 123 Cb 0.27 -1.34 -0.04 0.00 0.06 0.00 0.00 34.95 33.91 2k1q s ARG 123 CO -0.06 0.36 0.12 0.20 -2.50 0.00 0.00 175.30 173.42 2k1q s GLY 124 N -0.47 1.04 0.07 8.12 0.00 -0.89 -0.20 107.32 114.99 2k1q s GLY 124 Ca 0.06 -1.45 0.08 0.00 0.00 0.00 0.00 44.72 43.41 2k1q s GLY 124 CO -0.00 -1.29 -0.21 -1.35 0.00 0.00 0.00 173.10 170.25 2k1q s SER 125 N -3.07 2.51 -0.25 1.64 1.04 -0.35 -2.09 113.70 113.13 2k1q s SER 125 Ca 0.27 -0.60 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 2k1q s SER 125 Cb 0.07 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 2k1q s SER 125 CO 0.05 0.11 0.37 -0.76 0.98 0.00 0.00 173.24 173.99 2k1q s LEU 126 N -1.54 4.07 0.23 2.42 1.02 0.30 -2.44 118.68 122.74 2k1q s LEU 126 Ca 0.07 0.35 -0.07 0.00 0.02 0.00 0.00 54.13 54.50 2k1q s LEU 126 Cb -0.09 -2.44 0.20 0.00 0.02 0.00 0.00 46.19 43.88 2k1q s LEU 126 CO 0.03 -0.15 1.84 -0.07 0.02 0.00 0.00 176.35 178.03 2k1q h LEU 127 N 8.29 1.13 -8.48 1.79 4.07 -1.86 -3.39 115.31 116.86 2k1q h LEU 127 Ca -0.33 -0.11 -0.66 0.00 0.08 0.00 0.00 57.88 56.86 2k1q h LEU 127 Cb 1.16 -0.29 -0.25 0.00 1.08 0.00 0.00 40.66 42.36 2k1q h LEU 127 CO 0.67 0.91 -0.65 -0.94 -1.08 0.00 0.00 178.44 177.35 2k1q s SER 128 N -6.25 4.91 0.05 -0.43 1.04 -1.26 -5.06 113.70 106.70 2k1q s SER 128 Ca -0.13 -0.45 -0.31 0.00 0.48 0.00 0.00 55.95 55.54 2k1q s SER 128 Cb 0.17 -1.86 -0.08 0.00 0.10 0.00 0.00 66.02 64.35 2k1q s SER 128 CO 0.83 -0.09 1.65 -2.16 0.98 0.00 0.00 173.24 174.45 2k1q s PRO 129 N 1.53 4.20 0.27 4.02 0.04 -1.26 -5.00 135.00 138.80 2k1q s PRO 129 Ca 0.05 2.30 0.11 0.00 0.04 0.00 0.00 61.00 63.50 2k1q s PRO 129 Cb -0.16 -3.65 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 2k1q s PRO 129 CO 0.01 -0.74 -0.18 1.03 0.04 0.00 0.00 177.00 177.16 2k1q s ARG 130 N 2.80 1.61 0.76 4.56 0.52 -1.24 -4.95 118.95 123.01 2k1q s ARG 130 Ca 0.74 -1.74 -0.11 0.00 -0.52 0.00 0.00 55.73 54.10 2k1q s ARG 130 Cb -0.39 -1.62 0.05 0.00 0.52 0.00 0.00 34.95 33.51 2k1q s ARG 130 CO 0.32 0.29 1.10 -1.25 0.02 0.00 0.00 175.30 175.78 2k1q s PRO 131 N -3.54 2.29 0.39 3.54 0.04 -1.26 -1.08 135.00 135.37 2k1q s PRO 131 Ca 0.28 1.25 0.13 0.00 0.04 0.00 0.00 61.00 62.70 2k1q s PRO 131 Cb -0.04 -1.90 0.78 0.00 0.04 0.00 0.00 34.50 33.38 2k1q s PRO 131 CO 0.13 -1.63 1.86 0.28 0.04 0.00 0.00 177.00 177.68 2k1q h VAL 132 N -0.92 1.24 -1.00 -0.36 2.07 -1.68 -2.85 116.25 112.74 2k1q h VAL 132 Ca -0.44 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 65.95 2k1q h VAL 132 Cb 1.24 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.57 2k1q h VAL 132 CO 0.51 0.33 0.66 -1.28 0.02 0.00 0.00 177.57 177.81 2k1q h SER 133 N 0.00 1.15 -0.05 0.57 0.87 -1.91 0.71 113.55 114.89 2k1q h SER 133 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2k1q h SER 133 Cb 0.59 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2k1q h SER 133 CO 0.04 0.83 0.03 0.22 -0.53 0.00 0.00 176.83 177.42 2k1q h TYR 134 N 1.35 0.06 0.00 2.24 3.20 -1.88 -2.56 116.97 119.38 2k1q h TYR 134 Ca 0.37 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.14 2k1q h TYR 134 Cb -0.15 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2k1q h TYR 134 CO -0.00 0.04 -0.46 -0.07 -1.64 0.00 0.00 178.16 176.02 2k1q h LEU 135 N 0.06 0.00 -9.94 2.82 4.07 -1.54 -3.44 115.31 107.34 2k1q h LEU 135 Ca 0.02 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.44 2k1q h LEU 135 Cb -0.01 0.00 0.11 0.00 1.08 0.00 0.00 40.66 41.84 2k1q h LEU 135 CO -0.00 0.46 0.78 0.29 -1.08 0.00 0.00 178.44 178.89 2k1q n LYS 136 N -3.89 2.69 -1.00 1.13 4.76 0.21 -1.75 118.16 120.30 2k1q n LYS 136 Ca -0.01 0.94 -0.00 0.00 -2.87 0.00 0.00 58.31 56.37 2k1q n LYS 136 Cb 0.50 -2.68 -0.00 0.00 -1.84 0.00 0.00 35.03 31.01 2k1q n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k1q n GLY 137 N 0.45 0.47 0.45 0.72 0.00 -1.26 -4.90 105.19 101.12 2k1q n GLY 137 Ca 0.01 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 0.58 2.97 -4.76 1.61 7.64 -0.72 -4.40 113.62 116.54 2k1q n SER 138 Ca -0.00 -2.76 -0.39 0.00 1.01 0.00 0.00 58.87 56.72 2k1q n SER 138 Cb 0.01 -0.39 0.03 0.00 -1.01 0.00 0.00 64.21 62.85 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 -2.01 5.56 0.00 6.43 0.01 -1.26 -2.19 113.70 120.25 2k1q s SER 139 Ca 0.30 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.45 2k1q s SER 139 Cb 0.24 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2k1q s SER 139 CO 0.07 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.94 2k1q n GLY 140 N 0.64 3.21 3.50 3.44 0.00 -1.19 -0.55 105.19 114.24 2k1q n GLY 140 Ca 0.07 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.62 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 0.68 3.81 -0.02 0.00 -0.93 -4.09 105.19 102.64 2k1q n GLY 141 Ca 0.00 0.87 -0.33 0.00 0.00 0.00 0.00 46.02 46.56 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 6.33 3.89 -0.41 1.61 0.04 -1.26 -1.15 135.00 144.05 2k1q s PRO 142 Ca 1.06 1.21 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 2k1q s PRO 142 Cb -0.65 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 31.79 2k1q s PRO 142 CO 0.43 -0.33 0.31 -0.51 0.04 0.00 0.00 177.00 176.94 2k1q s LEU 143 N -3.60 5.04 -0.21 -3.56 1.02 -0.12 -3.40 118.68 113.85 2k1q s LEU 143 Ca 0.64 -0.84 -0.10 0.00 0.02 0.00 0.00 54.13 53.85 2k1q s LEU 143 Cb -0.13 -2.18 -0.05 0.00 0.02 0.00 0.00 46.19 43.85 2k1q s LEU 143 CO 0.21 -0.44 0.14 -0.76 0.02 0.00 0.00 176.35 175.52 2k1q s LEU 144 N 1.72 4.18 0.72 1.79 1.02 -0.13 0.42 118.68 128.41 2k1q s LEU 144 Ca 0.06 0.19 -0.12 0.00 0.02 0.00 0.00 54.13 54.27 2k1q s LEU 144 Cb -0.19 -2.09 0.03 0.00 0.02 0.00 0.00 46.19 43.96 2k1q s LEU 144 CO 0.10 0.14 1.10 0.00 0.02 0.00 0.00 176.35 177.71 2k1q h PRO 146 N -0.62 0.00 -0.85 0.00 0.13 -1.92 -0.26 132.00 128.48 2k1q h PRO 146 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.53 0.00 0.40 0.77 -0.23 0.00 0.00 178.00 179.46 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 0.18 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k1q h SER 147 Cb 1.14 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.39 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 -0.99 1.35 3.12 -3.77 0.00 -0.11 -5.15 105.19 99.64 2k1q n GLY 148 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.90 0.97 0.44 1.61 3.76 -1.25 -4.84 115.29 114.08 2k1q s HIS 149 Ca 0.00 -0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 54.22 2k1q s HIS 149 Cb 0.00 -0.56 -0.08 0.00 1.11 0.00 0.00 32.58 33.05 2k1q s HIS 149 CO 0.00 -0.00 1.17 0.00 -0.85 0.00 0.00 174.74 175.05 2k1q s ALA 150 N -1.23 3.04 -0.02 -1.40 0.00 0.89 -1.65 121.76 121.39 2k1q s ALA 150 Ca -0.05 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2k1q s ALA 150 Cb -0.09 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2k1q s ALA 150 CO 0.01 -0.61 -0.02 0.28 0.00 0.00 0.00 175.76 175.43 2k1q n VAL 151 N -0.28 0.13 -3.57 0.00 0.31 0.17 0.31 118.33 115.40 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 0.47 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 3.31 1.08 3.07 2.92 0.00 -1.23 -1.75 105.19 112.58 2k1q n GLY 152 Ca -0.04 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.43 0.92 0.34 -0.61 1.01 -0.95 -0.95 121.20 118.54 2k1q s ILE 153 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 2k1q s ILE 153 Cb -0.00 -0.77 -0.11 0.00 0.01 0.00 0.00 42.46 41.59 2k1q s ILE 153 CO 0.00 0.26 1.46 0.12 0.00 0.00 0.00 174.94 176.78 2k1q s PHE 154 N -0.28 2.76 0.03 3.97 5.36 -0.30 -2.46 117.98 127.06 2k1q s PHE 154 Ca 0.04 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.15 2k1q s PHE 154 Cb -0.05 -3.94 0.00 0.00 -0.34 0.00 0.00 43.02 38.70 2k1q s PHE 154 CO -0.00 -2.82 0.00 -2.13 -1.46 0.00 0.00 175.22 168.80 2k1q n ARG 155 N 1.05 0.00 -3.82 10.12 0.63 -0.78 -3.17 116.66 120.69 2k1q n ARG 155 Ca 0.03 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.86 2k1q n ARG 155 Cb 0.40 -0.44 -0.06 0.00 0.45 0.00 0.00 32.46 32.81 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 -0.41 0.12 5.13 0.00 -1.19 -4.98 121.76 118.43 2k1q s ALA 156 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.54 2k1q s ALA 156 Cb 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 2k1q s ALA 156 CO 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 175.76 174.95 2k1q s ALA 157 N -3.88 2.63 -0.25 0.00 0.00 -1.26 -1.97 121.76 117.03 2k1q s ALA 157 Ca 0.08 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 2k1q s ALA 157 Cb 0.03 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 2k1q s ALA 157 CO -0.07 0.58 0.02 0.08 0.00 0.00 0.00 175.76 176.37 2k1q s VAL 158 N -1.12 3.70 0.09 0.00 1.01 -0.25 -4.98 120.40 118.84 2k1q s VAL 158 Ca 0.17 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2k1q s VAL 158 Cb -0.10 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2k1q s VAL 158 CO 0.09 0.28 -0.04 0.00 0.00 0.00 0.00 175.10 175.43 2k1q n THR 160 N -0.00 0.89 -1.40 0.00 -1.04 -1.22 -4.80 114.28 106.71 2k1q n THR 160 Ca -0.12 0.24 -0.10 0.00 -2.04 0.00 0.00 64.05 62.03 2k1q n THR 160 Cb 0.61 -1.62 0.19 0.00 -1.82 0.00 0.00 70.33 67.69 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 -3.44 1.95 0.00 -2.82 5.12 -1.26 -4.85 116.66 111.36 2k1q n ARG 161 Ca -0.03 -3.15 0.00 0.00 -1.93 0.00 0.00 57.85 52.74 2k1q n ARG 161 Cb 0.22 -1.92 0.00 0.00 -1.16 0.00 0.00 32.46 29.60 2k1q n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k1q n GLY 162 N -1.13 0.52 3.27 -0.13 0.00 -1.26 -5.07 105.19 101.39 2k1q n GLY 162 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 2.66 -0.22 1.61 1.01 -1.26 -1.68 120.40 120.52 2k1q s VAL 163 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 2k1q s VAL 163 Cb 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2k1q s VAL 163 CO 0.00 0.52 0.43 0.00 0.00 0.00 0.00 175.10 176.05 2k1q s ALA 164 N 0.75 3.56 -0.08 5.51 0.00 -0.24 -3.41 121.76 127.86 2k1q s ALA 164 Ca -0.06 -0.55 0.16 0.00 0.00 0.00 0.00 51.96 51.50 2k1q s ALA 164 Cb -0.15 -2.71 -0.23 0.00 0.00 0.00 0.00 23.12 20.02 2k1q s ALA 164 CO 0.01 -0.44 0.24 1.63 0.00 0.00 0.00 175.76 177.20 2k1q n LYS 165 N 4.80 0.89 -4.05 0.00 5.02 -1.06 -3.63 118.16 120.12 2k1q n LYS 165 Ca -0.07 -0.10 -0.07 0.00 -2.02 0.00 0.00 58.31 56.05 2k1q n LYS 165 Cb 0.51 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.85 0.38 0.09 7.82 0.00 -1.25 0.11 121.76 126.06 2k1q s ALA 166 Ca -0.07 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 2k1q s ALA 166 Cb 0.08 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 2k1q s ALA 166 CO 0.68 -0.38 0.05 0.14 0.00 0.00 0.00 175.76 176.24 2k1q s VAL 167 N -3.82 0.16 -0.06 0.00 -7.23 -0.89 -1.09 120.40 107.46 2k1q s VAL 167 Ca 0.06 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 2k1q s VAL 167 Cb 0.07 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2k1q s VAL 167 CO -0.10 -0.71 -0.16 -1.81 -0.31 0.00 0.00 175.10 172.02 2k1q s ASP 168 N -2.96 3.90 0.04 4.85 1.01 -0.83 -2.09 116.67 120.58 2k1q s ASP 168 Ca 0.14 -0.25 -0.01 0.00 0.71 0.00 0.00 52.55 53.14 2k1q s ASP 168 Cb 0.07 -0.91 -0.03 0.00 1.01 0.00 0.00 42.92 43.06 2k1q s ASP 168 CO -0.05 0.31 -0.03 0.72 0.21 0.00 0.00 175.17 176.34 2k1q s PHE 169 N -0.55 0.40 -0.24 4.23 -0.12 -0.73 -1.86 117.98 119.11 2k1q s PHE 169 Ca 0.08 -0.81 -0.14 0.00 -0.05 0.00 0.00 56.93 56.00 2k1q s PHE 169 Cb -0.11 -0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 2k1q s PHE 169 CO 0.01 -0.29 0.33 0.08 -0.05 0.00 0.00 175.22 175.31 2k1q s VAL 170 N -2.77 5.22 0.73 -2.49 1.01 -1.03 -4.50 120.40 116.58 2k1q s VAL 170 Ca -0.04 0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 2k1q s VAL 170 Cb -0.00 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.75 2k1q s VAL 170 CO -0.06 0.23 1.15 -2.16 0.00 0.00 0.00 175.10 174.26 2k1q s PRO 171 N 1.60 2.25 0.57 2.72 0.04 -1.26 -2.23 135.00 138.69 2k1q s PRO 171 Ca 0.15 1.53 0.33 0.00 0.04 0.00 0.00 61.00 63.05 2k1q s PRO 171 Cb -0.15 -1.87 1.74 0.00 0.04 0.00 0.00 34.50 34.26 2k1q s PRO 171 CO 0.08 -1.70 2.16 0.28 0.04 0.00 0.00 177.00 177.86 2k1q h VAL 172 N -0.47 0.33 -0.92 -0.36 2.07 -1.70 -2.74 116.25 112.47 2k1q h VAL 172 Ca -0.46 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2k1q h VAL 172 Cb 1.27 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 2k1q h VAL 172 CO 0.50 0.05 0.61 -0.08 0.02 0.00 0.00 177.57 178.68 2k1q h GLU 173 N 0.00 1.21 -0.45 1.57 4.81 -1.90 -2.04 114.58 117.78 2k1q h GLU 173 Ca -0.00 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2k1q h GLU 173 Cb 0.23 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2k1q h GLU 173 CO 0.01 0.80 0.30 0.66 -0.73 0.00 0.00 179.01 180.05 2k1q h SER 174 N 1.25 0.51 -1.00 1.04 4.64 -1.85 -2.20 113.55 115.92 2k1q h SER 174 Ca 0.34 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.65 2k1q h SER 174 Cb -0.14 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 61.77 2k1q h SER 174 CO -0.07 0.36 0.66 0.24 -0.87 0.00 0.00 176.83 177.15 2k1q h MET 175 N 0.60 1.32 -1.00 4.77 2.86 -1.51 -2.32 114.93 119.64 2k1q h MET 175 Ca 0.17 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2k1q h MET 175 Cb -0.04 -0.30 -0.05 0.00 0.06 0.00 0.00 31.60 31.27 2k1q h MET 175 CO -0.04 0.88 0.67 1.49 1.06 0.00 0.00 176.91 180.96 2k1q h GLU 176 N 1.36 1.32 -0.14 1.72 4.81 -1.42 0.22 114.58 122.45 2k1q h GLU 176 Ca 0.37 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2k1q h GLU 176 Cb -0.15 -0.30 -0.01 0.00 0.63 0.00 0.00 28.75 28.92 2k1q h GLU 176 CO -0.08 0.87 0.08 1.15 -0.73 0.00 0.00 179.01 180.31 2k1q h THR 177 N 1.36 1.06 -0.14 0.32 2.02 -1.42 0.38 112.91 116.48 2k1q h THR 177 Ca 0.37 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.35 2k1q h THR 177 Cb -0.15 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2k1q h THR 177 CO -0.08 0.05 -0.16 0.74 0.37 0.00 0.00 175.52 176.44 2k1q h THR 178 N 0.16 1.35 -0.93 3.16 2.02 -1.30 -2.92 112.91 114.45 2k1q h THR 178 Ca 0.05 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 2k1q h THR 178 Cb 0.01 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 2k1q h THR 178 CO -0.01 0.39 0.54 -0.03 0.37 0.00 0.00 175.52 176.78 2k1q h MET 179 N -0.02 1.28 -1.01 6.66 -1.53 -0.47 -2.43 114.93 117.42 2k1q h MET 179 Ca 0.02 -0.13 0.01 0.00 -3.44 0.00 0.00 59.70 56.16 2k1q h MET 179 Cb 0.70 -0.26 -0.05 0.00 -0.55 0.00 0.00 31.60 31.44 2k1q h MET 179 CO 0.04 0.91 0.67 -0.09 0.14 0.00 0.00 176.91 178.58 2k1q h ARG 180 N 1.29 1.33 -0.88 0.39 2.43 -0.20 -2.35 114.38 116.39 2k1q h ARG 180 Ca 0.33 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2k1q h ARG 180 Cb -0.02 -0.30 -0.04 0.00 -0.42 0.00 0.00 29.97 29.19 2k1q h ARG 180 CO -0.06 0.88 0.58 0.00 -1.51 0.00 0.00 179.97 179.86 2k1q h ALA 181 N 1.37 1.11 0.00 2.80 0.00 -1.24 -3.45 119.26 119.86 2k1q h ALA 181 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2k1q h ALA 181 Cb -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.27 2k1q h ALA 181 CO -0.08 0.52 0.00 0.45 0.00 0.00 0.00 179.25 180.14 2k1q n SER 182 N -4.47 0.00 -4.03 0.00 2.88 -0.89 -4.67 113.62 102.44 2k1q n SER 182 Ca 0.10 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.54 2k1q n SER 182 Cb 0.01 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.41 2k1q n SER 182 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2k1q s LYS 183 N 0.00 1.49 0.06 -1.46 -2.85 -1.26 -5.06 119.74 110.66 2k1q s LYS 183 Ca 0.00 -1.31 -0.00 0.00 -1.00 0.00 0.00 55.97 53.66 2k1q s LYS 183 Cb 0.00 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.17 2k1q s LYS 183 CO 0.00 -0.60 -0.04 -1.59 0.10 0.00 0.00 175.35 173.22 2k1q s LYS 184 N -4.04 0.67 0.36 1.78 -2.85 -1.26 -5.13 119.74 109.27 2k1q s LYS 184 Ca 0.25 -1.24 -0.28 0.00 -1.00 0.00 0.00 55.97 53.69 2k1q s LYS 184 Cb 0.01 0.10 -0.11 0.00 -2.06 0.00 0.00 37.83 35.77 2k1q s LYS 184 CO 0.09 -0.09 1.42 0.21 0.10 0.00 0.00 175.35 177.09 2k1q s LYS 185 N -3.88 4.19 0.00 1.78 2.20 -1.26 -5.30 119.74 117.47 2k1q s LYS 185 Ca 0.08 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 2k1q s LYS 185 Cb 0.07 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 2k1q s LYS 185 CO -0.09 -0.41 0.51 1.17 -0.36 0.00 0.00 175.35 176.17