#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1q s GLY 23 N 0.00 1.77 -0.23 3.41 0.00 -1.26 -5.04 107.32 105.97 2k1q s GLY 23 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 44.72 43.45 2k1q s GLY 23 CO 0.00 -0.41 0.15 0.50 0.00 0.00 0.00 173.10 173.34 2k1q s ARG 24 N -5.87 4.08 0.24 2.90 0.52 -1.26 -4.98 118.95 114.59 2k1q s ARG 24 Ca 0.73 -0.27 -0.06 0.00 -0.52 0.00 0.00 55.73 55.61 2k1q s ARG 24 Cb -0.04 -3.51 0.24 0.00 0.52 0.00 0.00 34.95 32.16 2k1q s ARG 24 CO 0.53 0.10 1.90 -0.44 0.02 0.00 0.00 175.30 177.41 2k1q h ASP 25 N 7.37 1.15 -3.08 0.23 3.32 -2.10 -3.48 116.42 119.83 2k1q h ASP 25 Ca -0.38 -0.06 0.31 0.00 0.02 0.00 0.00 57.03 56.92 2k1q h ASP 25 Cb 1.17 -0.29 -0.13 0.00 0.22 0.00 0.00 39.33 40.29 2k1q h ASP 25 CO 0.67 0.87 -0.85 1.17 -1.72 0.00 0.00 179.24 179.38 2k1q n LYS 26 N -4.36 -2.73 -1.92 3.56 4.81 -1.26 -4.86 118.16 111.40 2k1q n LYS 26 Ca 0.11 2.09 -0.29 0.00 -0.87 0.00 0.00 58.31 59.34 2k1q n LYS 26 Cb 0.05 -3.33 0.06 0.00 0.02 0.00 0.00 35.03 31.84 2k1q n LYS 26 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2k1q s ASN 27 N -6.68 5.04 0.33 3.14 2.20 -1.26 -5.01 114.94 112.70 2k1q s ASN 27 Ca 0.00 0.95 -0.28 0.00 -0.94 0.00 0.00 52.86 52.58 2k1q s ASN 27 Cb 0.00 -1.62 -0.10 0.00 -2.00 0.00 0.00 41.25 37.53 2k1q s ASN 27 CO 0.00 -1.57 1.21 -1.10 -2.94 0.00 0.00 177.10 172.70 2k1q s GLN 28 N -5.43 4.40 0.00 3.55 -0.21 -1.26 -5.04 119.66 115.66 2k1q s GLN 28 Ca 0.60 2.01 0.00 0.00 0.02 0.00 0.00 55.36 57.99 2k1q s GLN 28 Cb -0.11 -3.04 -0.00 0.00 1.00 0.00 0.00 33.01 30.86 2k1q s GLN 28 CO 0.50 -0.08 -0.01 0.54 -2.12 0.00 0.00 175.29 174.12 2k1q s VAL 29 N -1.20 0.11 -0.02 1.09 0.11 -1.26 -5.15 120.40 114.08 2k1q s VAL 29 Ca 0.49 -0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.31 2k1q s VAL 29 Cb -0.35 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 2k1q s VAL 29 CO 0.46 0.01 0.36 -1.61 -3.33 0.00 0.00 175.10 171.00 2k1q s GLU 30 N -0.09 3.85 -0.12 1.54 2.02 -1.26 -4.98 118.70 119.66 2k1q s GLU 30 Ca -0.00 0.32 0.19 0.00 0.02 0.00 0.00 54.97 55.50 2k1q s GLU 30 Cb -0.01 -3.22 0.43 0.00 0.10 0.00 0.00 34.13 31.44 2k1q s GLU 30 CO -0.00 0.70 1.19 0.41 0.02 0.00 0.00 175.26 177.57 2k1q n GLY 31 N 1.87 2.98 0.35 -1.39 0.00 -1.26 -4.84 105.19 102.90 2k1q n GLY 31 Ca -0.15 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.73 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 1.17 0.97 -5.30 1.61 4.11 -1.94 -3.41 114.58 111.79 2k1q h GLU 32 Ca -0.10 -0.06 -0.67 0.00 0.07 0.00 0.00 59.36 58.60 2k1q h GLU 32 Cb 1.48 -0.22 -0.33 0.00 0.50 0.00 0.00 28.75 30.18 2k1q h GLU 32 CO 0.10 0.64 -0.88 0.08 0.07 0.00 0.00 179.01 179.03 2k1q s VAL 33 N -5.83 2.02 0.15 -1.06 1.01 -1.26 -2.33 120.40 113.10 2k1q s VAL 33 Ca -0.11 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 60.93 2k1q s VAL 33 Cb 0.18 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2k1q s VAL 33 CO 0.78 0.55 -0.12 -1.10 0.00 0.00 0.00 175.10 175.21 2k1q s GLN 34 N 0.39 1.10 -0.18 2.72 -0.21 -1.22 -5.03 119.66 117.22 2k1q s GLN 34 Ca -0.18 -1.41 -0.18 0.00 0.02 0.00 0.00 55.36 53.61 2k1q s GLN 34 Cb -0.18 -0.80 -0.03 0.00 1.00 0.00 0.00 33.01 33.00 2k1q s GLN 34 CO 0.08 0.13 0.51 0.08 -2.12 0.00 0.00 175.29 173.96 2k1q s VAL 35 N -2.89 5.12 0.20 1.09 1.01 -1.26 -2.46 120.40 121.21 2k1q s VAL 35 Ca 0.15 0.95 0.09 0.00 0.00 0.00 0.00 61.98 63.17 2k1q s VAL 35 Cb -0.00 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2k1q s VAL 35 CO 0.03 0.21 -0.17 0.68 0.00 0.00 0.00 175.10 175.84 2k1q s VAL 36 N 1.44 1.90 0.31 2.92 -7.23 -0.72 -4.11 120.40 114.91 2k1q s VAL 36 Ca 0.24 -2.14 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 2k1q s VAL 36 Cb -0.15 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2k1q s VAL 36 CO 0.10 -0.45 0.12 -0.44 -0.31 0.00 0.00 175.10 174.12 2k1q s SER 37 N -3.10 1.75 0.22 4.85 0.01 -0.52 -2.10 113.70 114.81 2k1q s SER 37 Ca 0.21 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.98 2k1q s SER 37 Cb -0.03 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 2k1q s SER 37 CO 0.08 -0.81 0.15 -0.89 0.41 0.00 0.00 173.24 172.19 2k1q s THR 38 N -3.54 0.03 0.55 1.44 2.01 0.22 -2.67 115.64 113.69 2k1q s THR 38 Ca 0.35 -2.00 0.25 0.00 0.31 0.00 0.00 61.69 60.60 2k1q s THR 38 Cb 0.06 -2.51 0.36 0.00 0.01 0.00 0.00 72.50 70.43 2k1q s THR 38 CO 0.16 0.00 2.05 0.00 -0.69 0.00 0.00 174.62 176.14 2k1q h ALA 39 N 2.53 2.16 0.00 7.40 0.00 -1.93 -3.25 119.26 126.16 2k1q h ALA 39 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k1q h ALA 39 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2k1q h ALA 39 CO 0.51 -0.43 0.00 2.41 0.00 0.00 0.00 179.25 181.74 2k1q n THR 40 N -4.16 0.00 -4.27 0.00 -1.04 -1.26 -5.10 114.28 98.45 2k1q n THR 40 Ca 0.05 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.05 61.78 2k1q n THR 40 Cb 0.43 1.21 -0.10 0.00 -1.82 0.00 0.00 70.33 70.05 2k1q n THR 40 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2k1q s GLN 41 N -0.17 1.12 -0.03 -2.82 -1.52 -1.23 -5.15 119.66 109.86 2k1q s GLN 41 Ca 0.00 -1.45 0.02 0.00 -1.95 0.00 0.00 55.36 51.98 2k1q s GLN 41 Cb 0.00 -0.79 0.01 0.00 -0.22 0.00 0.00 33.01 32.01 2k1q s GLN 41 CO 0.00 0.12 -0.09 -1.12 -0.25 0.00 0.00 175.29 173.95 2k1q s SER 42 N -3.10 1.24 0.21 5.90 0.01 -1.26 0.73 113.70 117.43 2k1q s SER 42 Ca 0.17 -0.19 -0.14 0.00 1.31 0.00 0.00 55.95 57.10 2k1q s SER 42 Cb 0.01 -0.41 0.05 0.00 0.21 0.00 0.00 66.02 65.87 2k1q s SER 42 CO 0.03 0.04 0.69 2.22 0.41 0.00 0.00 173.24 176.63 2k1q n PHE 43 N 3.49 -1.55 -4.41 2.43 -1.74 -0.89 -4.31 117.46 110.47 2k1q n PHE 43 Ca -0.20 -1.15 -0.31 0.00 -0.56 0.00 0.00 57.45 55.23 2k1q n PHE 43 Cb 0.53 0.57 -0.11 0.00 1.52 0.00 0.00 39.48 42.00 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 3.02 0.28 5.98 1.43 -1.05 -1.75 118.68 126.59 2k1q s LEU 44 Ca 0.15 -0.29 0.09 0.00 -1.03 0.00 0.00 54.13 53.05 2k1q s LEU 44 Cb -0.03 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2k1q s LEU 44 CO 0.06 0.24 0.07 0.00 0.23 0.00 0.00 176.35 176.95 2k1q s ALA 45 N -1.07 3.32 0.02 4.21 0.00 -1.03 -3.73 121.76 123.48 2k1q s ALA 45 Ca 0.18 -1.64 0.07 0.00 0.00 0.00 0.00 51.96 50.57 2k1q s ALA 45 Cb -0.11 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2k1q s ALA 45 CO 0.10 0.22 -0.20 0.95 0.00 0.00 0.00 175.76 176.82 2k1q s THR 46 N -2.31 1.58 -0.35 0.00 -4.23 -1.15 -3.38 115.64 105.80 2k1q s THR 46 Ca 0.33 -1.07 -0.11 0.00 -1.18 0.00 0.00 61.69 59.66 2k1q s THR 46 Cb -0.06 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.42 2k1q s THR 46 CO 0.21 0.26 0.21 0.00 -0.54 0.00 0.00 174.62 174.77 2k1q s VAL 48 N 1.63 1.29 -1.45 0.00 1.01 -0.06 -1.52 120.40 121.30 2k1q s VAL 48 Ca 0.04 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 2k1q s VAL 48 Cb -0.18 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.08 2k1q s VAL 48 CO 0.08 0.39 0.71 -3.20 0.00 0.00 0.00 175.10 173.07 2k1q n ASN 49 N 3.76 -5.20 -0.76 3.32 2.85 -1.26 -0.73 115.26 117.24 2k1q n ASN 49 Ca -0.22 -0.44 -0.10 0.00 -0.11 0.00 0.00 54.58 53.71 2k1q n ASN 49 Cb 0.52 -4.20 -0.04 0.00 1.24 0.00 0.00 39.78 37.30 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 -1.50 1.13 2.94 8.20 0.00 -1.26 -5.00 105.19 109.70 2k1q n GLY 50 Ca -0.04 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 2k1q n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1q s VAL 51 N -2.33 0.75 0.35 1.61 1.01 0.09 -3.07 120.40 118.82 2k1q s VAL 51 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 2k1q s VAL 51 Cb 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 36.38 35.55 2k1q s VAL 51 CO 0.00 0.27 0.99 0.00 0.00 0.00 0.00 175.10 176.35 2k1q s TRP 53 N -1.64 1.47 0.20 0.00 0.52 0.15 -2.45 118.94 117.19 2k1q s TRP 53 Ca 0.53 -0.47 -0.21 0.00 0.02 0.00 0.00 56.10 55.97 2k1q s TRP 53 Cb -0.20 -0.80 0.07 0.00 -1.15 0.00 0.00 33.47 31.40 2k1q s TRP 53 CO 0.25 0.14 1.01 -2.37 0.02 0.00 0.00 176.95 176.00 2k1q n THR 54 N 0.98 0.00 -3.58 2.01 5.66 -0.69 -2.93 114.28 115.73 2k1q n THR 54 Ca -0.19 -0.60 -0.28 0.00 -3.05 0.00 0.00 64.05 59.93 2k1q n THR 54 Cb 0.55 0.79 -0.03 0.00 -1.55 0.00 0.00 70.33 70.08 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 -2.07 5.14 0.14 1.08 0.11 -1.26 -2.33 120.40 121.22 2k1q s VAL 55 Ca 0.22 -0.20 -0.11 0.00 -2.93 0.00 0.00 61.98 58.96 2k1q s VAL 55 Cb -0.03 -3.72 -0.05 0.00 -1.53 0.00 0.00 36.38 31.05 2k1q s VAL 55 CO 0.06 -0.20 1.46 0.22 -3.33 0.00 0.00 175.10 173.31 2k1q h TYR 56 N 1.97 1.12 0.00 1.54 3.20 -1.30 -1.99 116.97 121.51 2k1q h TYR 56 Ca -0.48 -0.34 -0.04 0.00 3.14 0.00 0.00 58.73 61.01 2k1q h TYR 56 Cb 1.19 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2k1q h TYR 56 CO 0.56 1.18 -0.18 1.12 -1.64 0.00 0.00 178.16 179.20 2k1q h HIS 57 N 0.75 0.00 0.00 -3.82 2.07 -1.96 0.54 115.15 112.73 2k1q h HIS 57 Ca 0.06 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.57 2k1q h HIS 57 Cb 1.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.98 2k1q h HIS 57 CO 0.07 0.18 -0.15 0.78 -3.07 0.00 0.00 177.93 175.73 2k1q h GLY 58 N 1.47 0.00 0.00 6.13 0.00 -1.93 -3.44 103.07 105.31 2k1q h GLY 58 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 2k1q h GLY 58 CO 0.02 0.00 -2.36 0.00 0.00 0.00 0.00 176.54 174.20 2k1q n ALA 59 N -2.99 1.43 -0.70 3.60 0.00 -0.76 -4.67 120.51 116.43 2k1q n ALA 59 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2k1q n ALA 59 Cb 0.11 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 1.65 -0.63 2.55 0.00 0.00 0.19 -3.72 105.19 105.23 2k1q n GLY 60 Ca -0.47 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 2k1q n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1q n SER 61 N -1.93 6.68 -4.14 1.61 7.64 -1.26 -4.88 113.62 117.33 2k1q n SER 61 Ca 0.00 -2.85 -0.09 0.00 1.01 0.00 0.00 58.87 56.93 2k1q n SER 61 Cb 0.00 -1.53 -0.10 0.00 -1.01 0.00 0.00 64.21 61.57 2k1q n SER 61 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k1q s LYS 62 N 1.46 0.90 0.34 1.43 1.02 -1.24 -5.10 119.74 118.54 2k1q s LYS 62 Ca 0.55 -1.42 -0.28 0.00 0.02 0.00 0.00 55.97 54.84 2k1q s LYS 62 Cb 0.16 0.24 -0.10 0.00 -0.52 0.00 0.00 37.83 37.60 2k1q s LYS 62 CO -0.06 -0.25 1.35 -0.08 -0.92 0.00 0.00 175.35 175.39 2k1q s THR 63 N -4.04 2.56 -0.15 2.17 -1.32 -1.26 -4.79 115.64 108.81 2k1q s THR 63 Ca 0.22 0.56 -0.03 0.00 -1.21 0.00 0.00 61.69 61.24 2k1q s THR 63 Cb 0.08 -3.36 -0.03 0.00 -1.51 0.00 0.00 72.50 67.68 2k1q s THR 63 CO 0.01 0.13 -0.05 -0.22 -2.21 0.00 0.00 174.62 172.28 2k1q s LEU 64 N -1.88 3.16 -0.29 9.08 2.96 -1.24 -4.82 118.68 125.66 2k1q s LEU 64 Ca 0.50 -0.15 -0.19 0.00 -0.22 0.00 0.00 54.13 54.07 2k1q s LEU 64 Cb -0.41 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 2k1q s LEU 64 CO 0.55 0.18 0.57 0.00 -1.32 0.00 0.00 176.35 176.33 2k1q s ALA 65 N 0.29 3.56 0.47 5.97 0.00 -1.09 -1.77 121.76 129.19 2k1q s ALA 65 Ca -0.04 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2k1q s ALA 65 Cb -0.14 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2k1q s ALA 65 CO 0.03 -0.93 0.04 0.20 0.00 0.00 0.00 175.76 175.11 2k1q s GLY 66 N 1.60 2.87 0.40 0.00 0.00 -0.49 -1.44 107.32 110.26 2k1q s GLY 66 Ca 0.23 -0.74 0.10 0.00 0.00 0.00 0.00 44.72 44.31 2k1q s GLY 66 CO 0.11 -2.09 1.95 -0.56 0.00 0.00 0.00 173.10 172.50 2k1q h PRO 67 N 1.50 0.24 -0.05 2.90 0.13 -1.97 -2.08 132.00 132.66 2k1q h PRO 67 Ca -0.42 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 2k1q h PRO 67 Cb 1.30 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2k1q h PRO 67 CO 0.70 0.34 -0.52 -0.22 -0.23 0.00 0.00 178.00 178.07 2k1q h LYS 68 N 0.23 0.14 0.00 0.86 1.63 -1.95 -3.49 116.57 113.99 2k1q h LYS 68 Ca 0.05 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2k1q h LYS 68 Cb 0.31 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2k1q h LYS 68 CO 0.02 0.63 0.00 0.41 -3.45 0.00 0.00 179.45 177.06 2k1q n GLY 69 N 0.03 0.62 3.79 5.01 0.00 -0.78 -5.10 105.19 108.76 2k1q n GLY 69 Ca -0.02 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 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 3.06 -0.01 1.61 0.04 -1.26 -1.39 135.00 135.04 2k1q s PRO 70 Ca 0.00 1.22 0.06 0.00 0.04 0.00 0.00 61.00 62.32 2k1q s PRO 70 Cb 0.00 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 2k1q s PRO 70 CO 0.00 -1.02 -0.18 0.42 0.04 0.00 0.00 177.00 176.26 2k1q s ILE 71 N -2.52 1.44 -0.05 0.56 1.01 -0.73 -4.89 121.20 116.03 2k1q s ILE 71 Ca 0.64 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 60.37 2k1q s ILE 71 Cb -0.17 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 2k1q s ILE 71 CO 0.42 0.41 0.37 -0.89 0.00 0.00 0.00 174.94 175.24 2k1q s THR 72 N -0.42 5.14 0.31 2.92 2.01 -1.26 -3.61 115.64 120.72 2k1q s THR 72 Ca 0.07 0.73 -0.29 0.00 0.31 0.00 0.00 61.69 62.51 2k1q s THR 72 Cb -0.07 -3.67 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 2k1q s THR 72 CO -0.01 0.54 1.22 -1.10 -0.69 0.00 0.00 174.62 174.58 2k1q s GLN 73 N -0.73 4.48 -0.05 4.92 -0.21 -1.26 -3.02 119.66 123.79 2k1q s GLN 73 Ca 0.22 2.04 -0.03 0.00 0.02 0.00 0.00 55.36 57.60 2k1q s GLN 73 Cb -0.15 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.71 2k1q s GLN 73 CO 0.11 -0.01 -0.07 -0.12 -2.12 0.00 0.00 175.29 173.07 2k1q n MET 74 N 0.98 0.12 -5.30 2.91 1.56 0.42 -4.74 117.12 113.07 2k1q n MET 74 Ca -0.00 0.05 -0.31 0.00 -0.27 0.00 0.00 57.70 57.17 2k1q n MET 74 Cb 0.43 -0.71 -0.16 0.00 2.15 0.00 0.00 33.22 34.94 2k1q n MET 74 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2k1q s TYR 75 N -2.12 2.33 -0.02 1.12 2.02 -0.86 -4.96 117.35 114.86 2k1q s TYR 75 Ca -0.08 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 2k1q s TYR 75 Cb 0.03 -1.50 -0.00 0.00 -0.40 0.00 0.00 41.96 40.09 2k1q s TYR 75 CO 0.10 -0.04 -0.10 0.95 -1.57 0.00 0.00 175.55 174.89 2k1q s THR 76 N -0.61 0.85 -0.37 -0.71 -4.23 -1.26 -1.33 115.64 107.97 2k1q s THR 76 Ca 0.10 -0.42 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 2k1q s THR 76 Cb -0.10 -0.73 0.16 0.00 1.34 0.00 0.00 72.50 73.17 2k1q s THR 76 CO -0.01 0.25 0.42 0.20 -0.54 0.00 0.00 174.62 174.94 2k1q s ASN 77 N -0.01 0.72 0.12 3.99 0.02 -0.14 -4.98 114.94 114.65 2k1q s ASN 77 Ca 0.00 -1.41 -0.14 0.00 -1.02 0.00 0.00 52.86 50.29 2k1q s ASN 77 Cb -0.07 0.80 -0.04 0.00 0.02 0.00 0.00 41.25 41.96 2k1q s ASN 77 CO 0.00 -0.25 1.51 0.58 0.02 0.00 0.00 177.10 178.96 2k1q h VAL 78 N 5.10 1.28 -0.73 1.60 2.07 -1.88 0.15 116.25 123.84 2k1q h VAL 78 Ca 0.04 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.30 2k1q h VAL 78 Cb 1.08 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 2k1q h VAL 78 CO 0.19 0.42 0.48 -0.78 0.02 0.00 0.00 177.57 177.90 2k1q h ASP 79 N 0.58 0.83 -0.02 0.57 1.82 -1.95 -1.89 116.42 116.37 2k1q h ASP 79 Ca 0.09 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2k1q h ASP 79 Cb 0.69 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.50 2k1q h ASP 79 CO 0.05 0.60 0.00 1.67 -1.61 0.00 0.00 179.24 179.95 2k1q n GLN 80 N -4.58 1.67 -3.81 0.28 -0.06 -1.17 -4.94 117.38 104.75 2k1q n GLN 80 Ca 0.07 -0.97 -0.26 0.00 -2.00 0.00 0.00 57.00 53.84 2k1q n GLN 80 Cb 0.02 -1.48 0.03 0.00 -4.06 0.00 0.00 30.24 24.75 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 0.18 -3.16 -3.91 1.69 2.03 0.40 -4.90 116.55 108.87 2k1q n ASP 81 Ca 0.19 -0.80 -0.11 0.00 0.52 0.00 0.00 54.79 54.60 2k1q n ASP 81 Cb 0.35 -3.98 -0.13 0.00 -0.72 0.00 0.00 41.12 36.65 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 -7.01 2.07 0.05 -2.67 1.43 -0.46 -0.90 118.68 111.19 2k1q s LEU 82 Ca 0.36 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 2k1q s LEU 82 Cb -0.18 0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.13 2k1q s LEU 82 CO 0.82 -0.13 0.24 0.68 0.23 0.00 0.00 176.35 178.19 2k1q s VAL 83 N -0.63 0.10 0.07 -1.59 -7.23 -0.98 -0.97 120.40 109.16 2k1q s VAL 83 Ca -0.07 -0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2k1q s VAL 83 Cb -0.04 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 2k1q s VAL 83 CO -0.00 -0.46 -0.01 -0.83 -0.31 0.00 0.00 175.10 173.48 2k1q s GLY 84 N -2.20 0.59 0.28 2.32 0.00 -0.44 -1.71 107.32 106.17 2k1q s GLY 84 Ca -0.04 -1.27 0.11 0.00 0.00 0.00 0.00 44.72 43.52 2k1q s GLY 84 CO -0.05 -1.33 -0.14 -0.98 0.00 0.00 0.00 173.10 170.60 2k1q s TRP 85 N -3.95 2.42 -0.56 1.90 0.51 -1.03 -0.44 118.94 117.81 2k1q s TRP 85 Ca 0.11 -0.30 -0.28 0.00 -2.12 0.00 0.00 56.10 53.52 2k1q s TRP 85 Cb 0.08 -1.06 0.01 0.00 -0.81 0.00 0.00 33.47 31.68 2k1q s TRP 85 CO -0.07 0.69 1.52 -1.14 -0.51 0.00 0.00 176.95 177.44 2k1q s GLN 86 N -3.56 3.18 0.09 4.98 0.74 -1.17 -2.35 119.66 121.57 2k1q s GLN 86 Ca 0.30 0.54 -0.31 0.00 0.05 0.00 0.00 55.36 55.95 2k1q s GLN 86 Cb -0.05 -4.18 -0.07 0.00 1.10 0.00 0.00 33.01 29.81 2k1q s GLN 86 CO 0.17 -2.08 1.30 0.00 -0.55 0.00 0.00 175.29 174.13 2k1q s ALA 87 N 6.65 3.50 0.77 1.58 0.00 -1.17 -4.89 121.76 128.19 2k1q s ALA 87 Ca 0.57 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 53.42 2k1q s ALA 87 Cb -0.12 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.56 2k1q s ALA 87 CO 0.25 -0.53 1.09 -1.25 0.00 0.00 0.00 175.76 175.31 2k1q s PRO 88 N 1.07 2.29 0.68 0.00 0.04 -1.26 -4.86 135.00 132.96 2k1q s PRO 88 Ca 0.62 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 62.69 2k1q s PRO 88 Cb -0.34 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2k1q s PRO 88 CO 0.30 -1.62 1.07 -1.25 0.04 0.00 0.00 177.00 175.55 2k1q s PRO 89 N -4.91 2.88 0.00 0.56 0.04 -1.26 -3.68 135.00 128.63 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 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2k1q s PRO 89 CO 0.56 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2k1q n GLY 90 N -1.31 3.25 3.87 0.56 0.00 -1.26 -5.05 105.19 105.25 2k1q n GLY 90 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2k1q n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1q s ALA 91 N -2.99 3.10 0.23 4.61 0.00 -1.24 -5.02 121.76 120.45 2k1q s ALA 91 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 51.92 2k1q s ALA 91 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 2k1q s ALA 91 CO 0.00 -0.69 0.34 1.03 0.00 0.00 0.00 175.76 176.44 2k1q s ARG 92 N -5.18 3.41 0.31 0.00 0.52 -1.26 -4.99 118.95 111.75 2k1q s ARG 92 Ca 0.55 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 55.03 2k1q s ARG 92 Cb -0.11 -2.88 -0.06 0.00 0.52 0.00 0.00 34.95 32.42 2k1q s ARG 92 CO 0.54 0.44 0.07 -1.54 0.02 0.00 0.00 175.30 174.83 2k1q s SER 93 N -3.87 2.03 -0.12 0.23 1.04 -1.26 -4.28 113.70 107.47 2k1q s SER 93 Ca 0.34 -1.38 -0.06 0.00 0.48 0.00 0.00 55.95 55.33 2k1q s SER 93 Cb -0.09 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 2k1q s SER 93 CO 0.29 -0.64 0.09 -0.76 0.98 0.00 0.00 173.24 173.19 2k1q s LEU 94 N -3.44 4.08 0.68 2.42 2.01 -0.57 -4.93 118.68 118.93 2k1q s LEU 94 Ca 0.37 0.32 -0.11 0.00 0.01 0.00 0.00 54.13 54.72 2k1q s LEU 94 Cb 0.08 -1.98 -0.00 0.00 0.01 0.00 0.00 46.19 44.30 2k1q s LEU 94 CO 0.15 0.37 1.05 0.42 1.01 0.00 0.00 176.35 179.35 2k1q s THR 95 N -0.78 4.17 0.52 5.49 -4.23 -1.26 -4.45 115.64 115.11 2k1q s THR 95 Ca 0.13 0.70 -0.17 0.00 -1.18 0.00 0.00 61.69 61.17 2k1q s THR 95 Cb -0.12 -3.50 -0.07 0.00 1.34 0.00 0.00 72.50 70.15 2k1q s THR 95 CO 0.03 -0.92 1.01 -2.16 -0.54 0.00 0.00 174.62 172.04 2k1q s PRO 96 N -5.07 3.77 0.22 3.99 0.04 -1.26 0.81 135.00 137.50 2k1q s PRO 96 Ca 0.57 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2k1q s PRO 96 Cb -0.13 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2k1q s PRO 96 CO 0.55 -0.42 1.33 0.00 0.04 0.00 0.00 177.00 178.49 2k1q n THR 98 N 2.39 1.09 -0.34 0.00 5.66 -1.26 -4.83 114.28 116.99 2k1q n THR 98 Ca 0.06 -3.70 0.00 0.00 -3.05 0.00 0.00 64.05 57.35 2k1q n THR 98 Cb 0.42 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 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 -0.52 3.80 0.00 0.00 -1.26 -4.96 105.19 102.25 2k1q n GLY 100 Ca 0.00 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2k1q n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1q s SER 101 N -2.54 7.13 0.09 1.61 1.04 -1.26 -4.98 113.70 114.79 2k1q s SER 101 Ca 0.23 1.34 0.08 0.00 0.48 0.00 0.00 55.95 58.08 2k1q s SER 101 Cb -0.10 -2.39 -0.21 0.00 0.10 0.00 0.00 66.02 63.42 2k1q s SER 101 CO 0.28 0.25 1.15 0.28 0.98 0.00 0.00 173.24 176.18 2k1q h SER 102 N 4.57 0.00 -2.90 7.02 0.02 -1.92 -3.45 113.55 116.88 2k1q h SER 102 Ca -0.49 -0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.93 2k1q h SER 102 Cb 1.21 -0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.78 2k1q h SER 102 CO 0.64 1.00 0.81 -0.62 -1.14 0.00 0.00 176.83 177.52 2k1q s ASP 103 N -6.58 6.70 -0.00 3.07 -1.08 -1.26 -0.70 116.67 116.82 2k1q s ASP 103 Ca -0.00 2.47 0.01 0.00 -0.52 0.00 0.00 52.55 54.51 2k1q s ASP 103 Cb 0.10 -2.59 -0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2k1q s ASP 103 CO 0.82 -0.74 -0.04 -0.76 0.52 0.00 0.00 175.17 174.97 2k1q s LEU 104 N 1.16 1.99 -0.24 -1.34 1.43 0.55 -4.14 118.68 118.10 2k1q s LEU 104 Ca 0.67 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.64 2k1q s LEU 104 Cb -0.40 -0.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 2k1q s LEU 104 CO 0.31 0.04 0.04 -0.31 0.23 0.00 0.00 176.35 176.66 2k1q s TYR 105 N -0.07 3.06 -0.10 0.29 2.02 -0.38 -0.67 117.35 121.49 2k1q s TYR 105 Ca 0.01 -0.53 -0.05 0.00 -0.37 0.00 0.00 57.07 56.14 2k1q s TYR 105 Cb -0.02 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 2k1q s TYR 105 CO -0.00 -0.38 0.08 -1.17 -1.57 0.00 0.00 175.55 172.50 2k1q s LEU 106 N 1.52 4.03 0.03 -1.29 2.96 -1.21 -0.98 118.68 123.74 2k1q s LEU 106 Ca 0.06 0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 54.11 2k1q s LEU 106 Cb -0.15 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.52 2k1q s LEU 106 CO 0.02 0.39 0.52 -0.69 -1.32 0.00 0.00 176.35 175.28 2k1q s VAL 107 N -0.97 4.87 0.25 1.68 1.01 -1.22 -3.53 120.40 122.49 2k1q s VAL 107 Ca 0.14 1.11 0.08 0.00 0.00 0.00 0.00 61.98 63.31 2k1q s VAL 107 Cb -0.12 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2k1q s VAL 107 CO 0.03 0.53 0.07 -0.89 0.00 0.00 0.00 175.10 174.84 2k1q s THR 108 N -0.86 3.84 0.64 3.92 2.01 -0.15 -4.61 115.64 120.44 2k1q s THR 108 Ca 0.28 -1.68 0.41 0.00 0.31 0.00 0.00 61.69 61.00 2k1q s THR 108 Cb -0.18 -3.05 0.42 0.00 0.01 0.00 0.00 72.50 69.70 2k1q s THR 108 CO 0.17 -0.34 2.34 -0.09 -0.69 0.00 0.00 174.62 176.01 2k1q h ARG 109 N 1.82 0.00 -0.92 4.92 2.43 -1.88 -1.26 114.38 119.50 2k1q h ARG 109 Ca -0.46 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.42 2k1q h ARG 109 Cb 1.24 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.62 2k1q h ARG 109 CO 0.60 0.00 0.37 0.72 -1.51 0.00 0.00 179.97 180.15 2k1q n HIS 110 N -3.28 2.13 -3.85 2.20 8.25 -1.26 -4.88 115.22 114.53 2k1q n HIS 110 Ca -0.03 -1.27 -0.29 0.00 -0.26 0.00 0.00 57.72 55.87 2k1q n HIS 110 Cb 0.08 -0.69 0.04 0.00 1.12 0.00 0.00 29.99 30.54 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 -0.43 -1.28 -2.46 -1.41 0.00 -0.47 -4.98 120.51 109.47 2k1q n ALA 111 Ca 0.39 0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.80 2k1q n ALA 111 Cb 1.28 -4.73 -0.16 0.00 0.00 0.00 0.00 19.45 15.85 2k1q n ALA 111 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k1q s ASP 112 N -3.30 2.41 -0.02 0.00 -1.08 -1.25 -4.92 116.67 108.52 2k1q s ASP 112 Ca 0.66 -0.37 0.05 0.00 -0.52 0.00 0.00 52.55 52.37 2k1q s ASP 112 Cb -0.32 -0.30 -0.01 0.00 -1.46 0.00 0.00 42.92 40.82 2k1q s ASP 112 CO 0.81 0.25 -0.18 0.68 0.52 0.00 0.00 175.17 177.25 2k1q s VAL 113 N -0.44 1.42 0.11 1.11 -7.23 -1.26 -0.97 120.40 113.13 2k1q s VAL 113 Ca 0.07 -0.76 0.09 0.00 -1.81 0.00 0.00 61.98 59.57 2k1q s VAL 113 Cb -0.08 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2k1q s VAL 113 CO -0.00 0.40 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.34 2k1q s ILE 114 N -0.33 1.78 0.09 -0.62 1.09 -1.23 -4.94 121.20 117.03 2k1q s ILE 114 Ca 0.05 -1.57 -0.30 0.00 -1.10 0.00 0.00 60.65 57.73 2k1q s ILE 114 Cb -0.08 -1.61 -0.05 0.00 -1.06 0.00 0.00 42.46 39.66 2k1q s ILE 114 CO -0.00 -0.05 1.00 -2.16 -0.10 0.00 0.00 174.94 173.63 2k1q s PRO 115 N -1.93 4.64 -0.06 2.79 0.04 -1.26 -3.30 135.00 135.91 2k1q s PRO 115 Ca 0.07 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.63 2k1q s PRO 115 Cb -0.10 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 31.07 2k1q s PRO 115 CO 0.04 0.11 -0.10 0.08 0.04 0.00 0.00 177.00 177.17 2k1q s VAL 116 N 0.27 1.00 0.33 -0.36 1.01 0.15 -3.90 120.40 118.90 2k1q s VAL 116 Ca 0.49 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 2k1q s VAL 116 Cb -0.24 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 2k1q s VAL 116 CO 0.30 0.32 0.75 -0.60 0.00 0.00 0.00 175.10 175.87 2k1q s ARG 117 N 0.71 4.02 -0.26 2.72 6.06 -1.05 -0.33 118.95 130.82 2k1q s ARG 117 Ca -0.14 0.70 -0.19 0.00 -2.50 0.00 0.00 55.73 53.60 2k1q s ARG 117 Cb -0.15 -2.41 -0.02 0.00 0.06 0.00 0.00 34.95 32.42 2k1q s ARG 117 CO 0.03 0.14 0.57 0.50 -2.50 0.00 0.00 175.30 174.04 2k1q s ARG 118 N -3.00 4.08 -0.18 5.12 3.52 0.13 -0.35 118.95 128.27 2k1q s ARG 118 Ca 0.55 0.42 0.17 0.00 -0.13 0.00 0.00 55.73 56.73 2k1q s ARG 118 Cb -0.10 -3.65 0.55 0.00 -1.56 0.00 0.00 34.95 30.19 2k1q s ARG 118 CO 0.17 -0.38 1.45 0.54 -0.81 0.00 0.00 175.30 176.27 2k1q n ARG 119 N 5.62 3.07 -3.54 5.12 5.12 0.10 -4.92 116.66 127.23 2k1q n ARG 119 Ca -0.02 -2.87 0.00 0.00 -1.93 0.00 0.00 57.85 53.02 2k1q n ARG 119 Cb 0.49 -1.88 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 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 -0.43 -1.66 0.31 -0.13 0.00 -1.01 -4.80 105.19 97.48 2k1q n GLY 120 Ca 0.22 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 2k1q n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k1q h ASP 121 N 0.00 1.07 0.00 1.61 3.32 -1.97 -3.31 116.42 117.14 2k1q h ASP 121 Ca 0.00 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 2k1q h ASP 121 Cb 0.00 -0.29 -0.09 0.00 0.22 0.00 0.00 39.33 39.17 2k1q h ASP 121 CO 0.00 1.09 -0.50 -1.54 -1.72 0.00 0.00 179.24 176.57 2k1q n SER 122 N -4.19 1.20 -4.20 6.45 3.41 -1.26 -4.50 113.62 110.52 2k1q n SER 122 Ca 0.04 -2.68 -0.26 0.00 -0.26 0.00 0.00 58.87 55.71 2k1q n SER 122 Cb 0.33 -0.35 -0.16 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.41 1.59 0.14 4.33 6.06 -1.25 -1.89 118.95 126.53 2k1q s ARG 123 Ca 0.24 -0.70 -0.01 0.00 -2.50 0.00 0.00 55.73 52.77 2k1q s ARG 123 Cb 0.24 -1.54 -0.04 0.00 0.06 0.00 0.00 34.95 33.67 2k1q s ARG 123 CO -0.05 0.42 0.06 0.20 -2.50 0.00 0.00 175.30 173.43 2k1q s GLY 124 N -0.46 1.07 0.17 8.12 0.00 -1.00 0.00 107.32 115.23 2k1q s GLY 124 Ca 0.07 -1.51 0.09 0.00 0.00 0.00 0.00 44.72 43.38 2k1q s GLY 124 CO -0.01 -1.39 -0.14 -1.35 0.00 0.00 0.00 173.10 170.22 2k1q s SER 125 N -3.08 4.03 -0.28 1.64 1.04 0.53 -1.72 113.70 115.86 2k1q s SER 125 Ca 0.26 -0.64 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 2k1q s SER 125 Cb 0.07 -0.60 -0.05 0.00 0.10 0.00 0.00 66.02 65.55 2k1q s SER 125 CO 0.03 0.12 0.20 -0.22 0.98 0.00 0.00 173.24 174.35 2k1q s LEU 126 N -2.70 4.03 0.18 2.42 2.96 0.30 -2.52 118.68 123.34 2k1q s LEU 126 Ca 0.23 0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 54.07 2k1q s LEU 126 Cb -0.09 -2.14 0.08 0.00 0.50 0.00 0.00 46.19 44.54 2k1q s LEU 126 CO 0.13 -0.06 1.55 -0.07 -1.32 0.00 0.00 176.35 176.58 2k1q h LEU 127 N 8.39 0.87 -8.30 -0.68 4.07 -1.84 -3.41 115.31 114.42 2k1q h LEU 127 Ca -0.35 -0.37 -0.68 0.00 0.08 0.00 0.00 57.88 56.57 2k1q h LEU 127 Cb 1.19 -0.24 -0.28 0.00 1.08 0.00 0.00 40.66 42.41 2k1q h LEU 127 CO 0.56 1.12 -0.64 -0.44 -1.08 0.00 0.00 178.44 177.95 2k1q s SER 128 N -6.80 5.01 -0.06 -0.43 0.01 -1.26 -5.06 113.70 105.11 2k1q s SER 128 Ca -0.10 -0.84 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 2k1q s SER 128 Cb 0.12 -1.83 -0.06 0.00 0.21 0.00 0.00 66.02 64.46 2k1q s SER 128 CO 0.86 -0.21 1.79 -2.16 0.41 0.00 0.00 173.24 173.93 2k1q s PRO 129 N 1.44 4.03 0.25 12.44 0.04 -1.26 -4.98 135.00 146.96 2k1q s PRO 129 Ca 0.01 2.24 0.10 0.00 0.04 0.00 0.00 61.00 63.39 2k1q s PRO 129 Cb -0.18 -4.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.24 2k1q s PRO 129 CO 0.01 -1.04 -0.18 1.03 0.04 0.00 0.00 177.00 176.86 2k1q s ARG 130 N 4.44 1.55 0.70 4.56 1.81 -1.23 -4.93 118.95 125.85 2k1q s ARG 130 Ca 0.80 -1.70 -0.15 0.00 -1.72 0.00 0.00 55.73 52.96 2k1q s ARG 130 Cb -0.35 -1.53 0.02 0.00 -0.45 0.00 0.00 34.95 32.65 2k1q s ARG 130 CO 0.34 0.28 1.15 -1.25 -0.68 0.00 0.00 175.30 175.14 2k1q s PRO 131 N -3.56 2.43 0.23 3.54 0.04 -1.26 -1.19 135.00 135.23 2k1q s PRO 131 Ca 0.27 1.56 -0.07 0.00 0.04 0.00 0.00 61.00 62.80 2k1q s PRO 131 Cb -0.03 -1.89 0.21 0.00 0.04 0.00 0.00 34.50 32.83 2k1q s PRO 131 CO 0.12 -1.57 1.85 0.28 0.04 0.00 0.00 177.00 177.72 2k1q h VAL 132 N -0.20 1.26 -0.63 -0.36 2.07 -1.56 -2.33 116.25 114.50 2k1q h VAL 132 Ca -0.47 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 66.50 2k1q h VAL 132 Cb 1.27 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2k1q h VAL 132 CO 0.52 0.30 0.42 0.77 0.02 0.00 0.00 177.57 179.59 2k1q h SER 133 N 1.27 0.38 -1.00 0.57 4.64 -1.91 -0.78 113.55 116.71 2k1q h SER 133 Ca 0.32 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.66 2k1q h SER 133 Cb 0.03 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.00 2k1q h SER 133 CO -0.05 0.23 0.66 0.22 -0.87 0.00 0.00 176.83 177.02 2k1q h TYR 134 N 0.43 1.26 0.00 4.77 3.20 -1.78 -2.35 116.97 122.50 2k1q h TYR 134 Ca 0.29 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 2k1q h TYR 134 Cb 0.57 -0.43 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2k1q h TYR 134 CO -0.00 0.80 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.68 2k1q h LEU 135 N 1.36 0.00 -9.94 2.82 4.07 -1.29 -3.46 115.31 108.87 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 -0.16 0.00 0.11 0.00 1.08 0.00 0.00 40.66 41.69 2k1q h LEU 135 CO -0.08 0.09 0.79 0.29 -1.08 0.00 0.00 178.44 178.45 2k1q n LYS 136 N -2.93 2.70 -1.00 1.13 4.76 -0.43 -1.66 118.16 120.74 2k1q n LYS 136 Ca 0.01 0.95 -0.00 0.00 -2.87 0.00 0.00 58.31 56.40 2k1q n LYS 136 Cb 0.58 -2.68 -0.00 0.00 -1.84 0.00 0.00 35.03 31.09 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 0.49 0.49 0.27 0.72 0.00 -1.26 -4.88 105.19 101.02 2k1q n GLY 137 Ca 0.01 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2k1q n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1q n SER 138 N -0.01 2.41 -4.75 1.61 7.64 -0.66 -4.29 113.62 115.57 2k1q n SER 138 Ca -0.00 -2.03 -0.36 0.00 1.01 0.00 0.00 58.87 57.49 2k1q n SER 138 Cb 0.01 -0.11 0.04 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.04 5.09 0.00 6.43 0.15 -1.26 -2.81 113.70 120.25 2k1q s SER 139 Ca 0.10 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.14 2k1q s SER 139 Cb 0.06 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2k1q s SER 139 CO 0.07 -1.66 0.00 0.61 1.20 0.00 0.00 173.24 173.45 2k1q n GLY 140 N 0.48 3.28 3.61 9.45 0.00 -1.01 -2.52 105.19 118.48 2k1q n GLY 140 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.55 -0.34 3.90 -0.02 0.00 -1.12 -4.20 105.19 101.85 2k1q n GLY 141 Ca 0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.59 3.50 -0.42 1.61 0.04 -1.26 -1.08 135.00 134.79 2k1q s PRO 142 Ca 0.73 -0.27 -0.14 0.00 0.04 0.00 0.00 61.00 61.36 2k1q s PRO 142 Cb -0.44 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.10 2k1q s PRO 142 CO 0.49 0.62 0.30 -0.51 0.04 0.00 0.00 177.00 177.95 2k1q s LEU 143 N -2.18 5.18 -0.20 -3.56 1.02 -0.00 -3.41 118.68 115.52 2k1q s LEU 143 Ca 0.32 -1.08 -0.10 0.00 0.02 0.00 0.00 54.13 53.28 2k1q s LEU 143 Cb -0.13 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 43.91 2k1q s LEU 143 CO 0.22 -0.50 0.14 -0.76 0.02 0.00 0.00 176.35 175.47 2k1q s LEU 144 N 1.63 4.21 0.73 1.79 1.02 -0.15 0.32 118.68 128.23 2k1q s LEU 144 Ca 0.04 0.25 -0.12 0.00 0.02 0.00 0.00 54.13 54.31 2k1q s LEU 144 Cb -0.21 -2.11 0.04 0.00 0.02 0.00 0.00 46.19 43.93 2k1q s LEU 144 CO 0.08 0.17 1.10 0.00 0.02 0.00 0.00 176.35 177.72 2k1q h PRO 146 N -0.72 0.00 -0.84 0.00 0.13 -1.92 -0.05 132.00 128.61 2k1q h PRO 146 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 2k1q h PRO 146 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2k1q h PRO 146 CO 0.52 0.00 0.37 0.77 -0.23 0.00 0.00 178.00 179.44 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 0.21 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2k1q h SER 147 Cb 1.21 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.46 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 1.31 3.06 -3.77 0.00 -0.03 -5.15 105.19 99.66 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 -1.99 0.88 0.40 1.61 3.76 -1.25 -4.78 115.29 113.91 2k1q s HIS 149 Ca 0.00 -0.27 -0.26 0.00 -0.15 0.00 0.00 55.06 54.37 2k1q s HIS 149 Cb 0.00 -0.54 -0.09 0.00 1.11 0.00 0.00 32.58 33.06 2k1q s HIS 149 CO 0.00 -0.01 1.32 0.00 -0.85 0.00 0.00 174.74 175.20 2k1q s ALA 150 N -0.62 3.29 -0.06 -1.40 0.00 0.24 -1.81 121.76 121.40 2k1q s ALA 150 Ca 0.00 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.23 2k1q s ALA 150 Cb -0.06 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 2k1q s ALA 150 CO 0.00 -0.83 -0.04 0.28 0.00 0.00 0.00 175.76 175.17 2k1q n VAL 151 N 0.18 0.34 -3.64 0.00 0.31 0.15 0.43 118.33 116.11 2k1q n VAL 151 Ca 0.03 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2k1q n VAL 151 Cb 0.43 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 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 3.11 0.78 3.09 2.92 0.00 -1.23 -1.35 105.19 112.51 2k1q n GLY 152 Ca -0.10 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.20 1.04 0.35 -0.61 1.01 -0.76 -0.82 121.20 119.21 2k1q s ILE 153 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 59.80 2k1q s ILE 153 Cb 0.00 -0.86 -0.11 0.00 0.01 0.00 0.00 42.46 41.50 2k1q s ILE 153 CO 0.00 0.29 1.40 0.12 0.00 0.00 0.00 174.94 176.75 2k1q s PHE 154 N -0.31 2.82 0.02 3.97 5.36 -0.24 -1.13 117.98 128.47 2k1q s PHE 154 Ca 0.05 1.28 -0.00 0.00 -0.96 0.00 0.00 56.93 57.30 2k1q s PHE 154 Cb -0.05 -3.85 -0.00 0.00 -0.34 0.00 0.00 43.02 38.78 2k1q s PHE 154 CO -0.00 -2.44 -0.00 -2.13 -1.46 0.00 0.00 175.22 169.18 2k1q n ARG 155 N 0.71 0.00 -3.75 10.12 0.63 -0.31 -2.40 116.66 121.66 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 0.40 -0.50 -0.06 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 -0.61 0.14 5.13 0.00 -1.20 -4.92 121.76 118.30 2k1q s ALA 156 Ca -0.00 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 51.79 2k1q s ALA 156 Cb 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 2k1q s ALA 156 CO 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 175.76 175.12 2k1q s ALA 157 N -3.52 2.92 -0.23 0.00 0.00 -1.26 -1.56 121.76 118.10 2k1q s ALA 157 Ca 0.02 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.57 2k1q s ALA 157 Cb 0.02 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 2k1q s ALA 157 CO -0.10 0.56 0.00 0.08 0.00 0.00 0.00 175.76 176.30 2k1q s VAL 158 N -1.43 3.71 0.02 0.00 1.01 0.12 -4.98 120.40 118.85 2k1q s VAL 158 Ca 0.23 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2k1q s VAL 158 Cb -0.10 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2k1q s VAL 158 CO 0.14 0.38 -0.12 0.00 0.00 0.00 0.00 175.10 175.50 2k1q h THR 160 N 4.63 1.39 0.00 0.00 2.02 -1.85 -3.43 112.91 115.68 2k1q h THR 160 Ca -0.36 -1.17 -0.20 0.00 0.77 0.00 0.00 66.41 65.46 2k1q h THR 160 Cb 1.18 2.17 -0.14 0.00 -1.74 0.00 0.00 68.15 69.62 2k1q h THR 160 CO 0.45 0.31 -0.27 -2.11 0.37 0.00 0.00 175.52 174.27 2k1q n ARG 161 N -4.83 0.92 0.00 6.66 1.85 -1.26 -4.93 116.66 115.06 2k1q n ARG 161 Ca -0.08 -1.62 0.00 0.00 -1.00 0.00 0.00 57.85 55.15 2k1q n ARG 161 Cb 0.26 -0.37 0.00 0.00 -1.05 0.00 0.00 32.46 31.30 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 -0.18 2.04 3.29 2.89 0.00 -1.26 -5.08 105.19 106.89 2k1q n GLY 162 Ca -0.03 0.00 -0.33 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 -2.15 2.86 -0.23 1.61 1.01 -1.26 -1.33 120.40 120.90 2k1q s VAL 163 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 2k1q s VAL 163 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2k1q s VAL 163 CO 0.00 0.50 0.37 0.00 0.00 0.00 0.00 175.10 175.97 2k1q s ALA 164 N 0.86 3.57 -0.04 5.51 0.00 -0.33 -2.17 121.76 129.15 2k1q s ALA 164 Ca -0.04 -0.67 0.16 0.00 0.00 0.00 0.00 51.96 51.41 2k1q s ALA 164 Cb -0.15 -2.64 -0.24 0.00 0.00 0.00 0.00 23.12 20.08 2k1q s ALA 164 CO -0.00 -0.44 0.32 1.63 0.00 0.00 0.00 175.76 177.26 2k1q n LYS 165 N 4.82 0.63 -3.92 0.00 5.02 -0.97 -3.56 118.16 120.18 2k1q n LYS 165 Ca -0.09 -0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 55.99 2k1q n LYS 165 Cb 0.51 -1.38 -0.08 0.00 -0.02 0.00 0.00 35.03 34.05 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 -3.03 -0.04 0.24 7.82 0.00 -1.23 0.11 121.76 125.64 2k1q s ALA 166 Ca -0.06 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2k1q s ALA 166 Cb 0.10 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 2k1q s ALA 166 CO 0.67 -0.45 0.10 1.33 0.00 0.00 0.00 175.76 177.41 2k1q n VAL 167 N 0.12 0.00 -3.77 0.00 0.24 -0.70 -0.71 118.33 113.51 2k1q n VAL 167 Ca -0.15 -1.43 -0.13 0.00 -2.04 0.00 0.00 64.34 60.58 2k1q n VAL 167 Cb 0.61 0.53 -0.14 0.00 -1.47 0.00 0.00 33.84 33.38 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 -2.50 -0.09 0.10 -1.34 -1.08 -0.60 -2.38 116.67 108.78 2k1q s ASP 168 Ca 0.14 0.25 0.04 0.00 -0.52 0.00 0.00 52.55 52.45 2k1q s ASP 168 Cb 0.01 0.16 -0.04 0.00 -1.46 0.00 0.00 42.92 41.59 2k1q s ASP 168 CO 0.10 -0.12 -0.10 0.72 0.52 0.00 0.00 175.17 176.29 2k1q s PHE 169 N 0.92 1.05 -0.20 -5.34 -0.12 -0.79 -1.17 117.98 112.33 2k1q s PHE 169 Ca -0.07 -0.68 -0.17 0.00 -0.05 0.00 0.00 56.93 55.96 2k1q s PHE 169 Cb -0.09 -0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 41.69 2k1q s PHE 169 CO -0.04 -0.01 0.47 0.08 -0.05 0.00 0.00 175.22 175.67 2k1q s VAL 170 N -2.55 5.14 0.56 -2.49 1.01 -0.29 -4.43 120.40 117.35 2k1q s VAL 170 Ca 0.06 0.86 -0.19 0.00 0.00 0.00 0.00 61.98 62.71 2k1q s VAL 170 Cb -0.02 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2k1q s VAL 170 CO -0.00 0.20 1.15 -2.16 0.00 0.00 0.00 175.10 174.28 2k1q s PRO 171 N 1.56 3.21 0.61 2.72 0.04 -1.26 -1.83 135.00 140.06 2k1q s PRO 171 Ca 0.22 1.66 0.33 0.00 0.04 0.00 0.00 61.00 63.25 2k1q s PRO 171 Cb -0.15 -1.98 1.94 0.00 0.04 0.00 0.00 34.50 34.35 2k1q s PRO 171 CO 0.09 -0.97 2.26 0.28 0.04 0.00 0.00 177.00 178.70 2k1q h VAL 172 N 1.04 0.39 -0.97 -0.36 2.07 -1.58 -2.18 116.25 114.66 2k1q h VAL 172 Ca -0.50 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.05 2k1q h VAL 172 Cb 1.27 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 2k1q h VAL 172 CO 0.56 0.00 0.64 -0.08 0.02 0.00 0.00 177.57 178.71 2k1q h GLU 173 N 0.00 1.22 -0.94 1.57 4.81 -1.90 -2.03 114.58 117.31 2k1q h GLU 173 Ca 0.01 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2k1q h GLU 173 Cb 0.07 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.13 2k1q h GLU 173 CO -0.00 0.81 0.62 0.66 -0.73 0.00 0.00 179.01 180.37 2k1q h SER 174 N 1.25 1.08 -0.96 1.04 4.64 -1.76 -2.28 113.55 116.57 2k1q h SER 174 Ca 0.38 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.68 2k1q h SER 174 Cb -0.05 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.73 2k1q h SER 174 CO -0.11 0.79 0.64 0.24 -0.87 0.00 0.00 176.83 177.52 2k1q h MET 175 N 1.28 1.26 -0.99 4.77 2.86 -1.49 -2.34 114.93 120.29 2k1q h MET 175 Ca 0.35 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.91 2k1q h MET 175 Cb -0.15 -0.29 -0.05 0.00 0.06 0.00 0.00 31.60 31.18 2k1q h MET 175 CO -0.07 0.84 0.64 1.49 1.06 0.00 0.00 176.91 180.86 2k1q h GLU 176 N 1.30 1.32 -0.92 1.72 4.81 -1.29 -1.58 114.58 119.94 2k1q h GLU 176 Ca 0.36 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2k1q h GLU 176 Cb -0.14 -0.29 -0.04 0.00 0.63 0.00 0.00 28.75 28.90 2k1q h GLU 176 CO -0.08 0.89 0.56 1.15 -0.73 0.00 0.00 179.01 180.80 2k1q h THR 177 N 1.35 1.25 -0.34 0.32 2.02 -1.29 0.12 112.91 116.34 2k1q h THR 177 Ca 0.36 -0.54 -0.15 0.00 0.77 0.00 0.00 66.41 66.86 2k1q h THR 177 Cb -0.13 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.22 2k1q h THR 177 CO -0.07 0.26 -0.35 0.74 0.37 0.00 0.00 175.52 176.46 2k1q h THR 178 N 1.27 1.28 -0.46 3.16 2.02 -1.25 -2.73 112.91 116.20 2k1q h THR 178 Ca 0.33 -1.53 -0.14 0.00 0.77 0.00 0.00 66.41 65.84 2k1q h THR 178 Cb -0.07 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2k1q h THR 178 CO -0.06 0.50 -0.27 0.24 0.37 0.00 0.00 175.52 176.30 2k1q h MET 179 N 0.64 0.99 -0.91 6.66 2.07 -0.94 -3.05 114.93 120.38 2k1q h MET 179 Ca 0.05 -0.45 -0.01 0.00 -2.07 0.00 0.00 59.70 57.22 2k1q h MET 179 Cb 0.94 -0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.61 2k1q h MET 179 CO 0.09 1.13 0.52 0.00 1.07 0.00 0.00 176.91 179.71 2k1q h ARG 180 N 0.84 1.26 0.10 1.72 2.47 -0.74 -2.93 114.38 117.10 2k1q h ARG 180 Ca 0.10 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2k1q h ARG 180 Cb 0.86 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 2k1q h ARG 180 CO 0.08 0.91 -0.05 0.00 0.56 0.00 0.00 179.97 181.47 2k1q h ALA 181 N 1.29 -0.13 -6.52 0.04 0.00 -1.39 -3.46 119.26 109.09 2k1q h ALA 181 Ca 0.32 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.69 2k1q h ALA 181 Cb 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 2k1q h ALA 181 CO -0.05 -0.57 -0.79 0.43 0.00 0.00 0.00 179.25 178.26 2k1q n SER 182 N -5.14 -4.15 -4.13 0.00 7.64 -1.11 -4.96 113.62 101.77 2k1q n SER 182 Ca -0.08 -0.89 -0.18 0.00 1.01 0.00 0.00 58.87 58.73 2k1q n SER 182 Cb 0.08 -3.34 -0.13 0.00 -1.01 0.00 0.00 64.21 59.81 2k1q n SER 182 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k1q s LYS 183 N -6.78 0.83 -0.43 1.43 2.20 -1.26 -5.03 119.74 110.69 2k1q s LYS 183 Ca 0.71 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2k1q s LYS 183 Cb -0.37 -0.81 0.68 0.00 -1.51 0.00 0.00 37.83 35.82 2k1q s LYS 183 CO 0.88 0.19 1.90 1.63 -0.36 0.00 0.00 175.35 179.59 2k1q n LYS 184 N 1.72 2.46 -0.38 4.03 5.02 -1.26 -4.57 118.16 125.19 2k1q n LYS 184 Ca -0.19 -3.02 -0.02 0.00 -2.02 0.00 0.00 58.31 53.05 2k1q n LYS 184 Cb 0.55 -2.19 0.11 0.00 -0.02 0.00 0.00 35.03 33.48 2k1q n LYS 184 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2k1q h LYS 185 N 1.24 1.32 0.00 1.97 3.64 -2.00 -3.55 116.57 119.20 2k1q h LYS 185 Ca 0.59 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 2k1q h LYS 185 Cb 2.80 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 34.32 2k1q h LYS 185 CO 1.06 0.88 0.00 0.36 -2.27 0.00 0.00 179.45 179.47