#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 -1.87 3.94 3.38 0.00 -1.26 -4.96 105.19 104.43 2k1q n GLY 23 Ca 0.00 0.83 -0.31 0.00 0.00 0.00 0.00 46.02 46.54 2k1q n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1q n ARG 24 N 0.00 -5.33 -3.61 1.61 1.74 -1.26 -4.94 116.66 104.87 2k1q n ARG 24 Ca 0.00 0.58 -0.40 0.00 -0.77 0.00 0.00 57.85 57.26 2k1q n ARG 24 Cb 0.00 -5.46 -0.11 0.00 -1.02 0.00 0.00 32.46 25.87 2k1q n ARG 24 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k1q s ASP 25 N -3.29 5.69 -0.04 0.55 -1.08 -1.26 -5.07 116.67 112.17 2k1q s ASP 25 Ca 0.68 -1.03 0.06 0.00 -0.52 0.00 0.00 52.55 51.75 2k1q s ASP 25 Cb -0.34 -2.01 -0.01 0.00 -1.46 0.00 0.00 42.92 39.10 2k1q s ASP 25 CO 0.84 -0.38 -0.23 -0.54 0.52 0.00 0.00 175.17 175.37 2k1q s LYS 26 N 1.53 2.19 -0.04 4.34 1.02 -1.26 -5.04 119.74 122.48 2k1q s LYS 26 Ca 0.01 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.17 2k1q s LYS 26 Cb -0.19 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2k1q s LYS 26 CO 0.06 0.41 -0.01 1.21 -0.92 0.00 0.00 175.35 176.11 2k1q s ASN 27 N -0.29 0.79 -0.18 2.83 3.84 -1.26 -4.98 114.94 115.68 2k1q s ASN 27 Ca 0.01 -0.05 -0.02 0.00 0.21 0.00 0.00 52.86 53.01 2k1q s ASN 27 Cb -0.12 -0.31 0.01 0.00 -0.55 0.00 0.00 41.25 40.29 2k1q s ASN 27 CO 0.02 -0.11 0.03 1.67 -2.79 0.00 0.00 177.10 175.92 2k1q n GLN 28 N 4.36 -2.59 -0.36 0.43 7.27 -1.26 -4.85 117.38 120.38 2k1q n GLN 28 Ca -0.21 2.21 -0.02 0.00 0.07 0.00 0.00 57.00 59.05 2k1q n GLN 28 Cb 0.50 -3.78 0.13 0.00 2.41 0.00 0.00 30.24 29.49 2k1q n GLN 28 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.06 176.89 2k1q h VAL 29 N 3.50 1.25 -3.34 1.69 3.04 -1.98 -3.40 116.25 117.02 2k1q h VAL 29 Ca -0.08 -0.46 -0.65 0.00 -1.01 0.00 0.00 66.70 64.50 2k1q h VAL 29 Cb 0.46 -0.19 -0.25 0.00 -2.01 0.00 0.00 31.29 29.29 2k1q h VAL 29 CO 0.05 0.24 -0.72 -0.70 -1.01 0.00 0.00 177.57 175.43 2k1q s GLU 30 N -6.08 3.47 0.00 4.17 2.12 -1.26 -4.91 118.70 116.21 2k1q s GLU 30 Ca -0.13 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.59 2k1q s GLU 30 Cb 0.18 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.74 2k1q s GLU 30 CO 0.82 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 176.05 2k1q n GLY 31 N 3.91 0.00 0.26 -1.50 0.00 -1.26 -5.01 105.19 101.59 2k1q n GLY 31 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 0.50 -5.18 1.61 5.08 -1.92 -3.41 114.58 111.25 2k1q h GLU 32 Ca 0.00 -0.12 -0.63 0.00 -1.00 0.00 0.00 59.36 57.61 2k1q h GLU 32 Cb 0.00 -0.06 -0.19 0.00 0.50 0.00 0.00 28.75 28.99 2k1q h GLU 32 CO 0.00 0.57 -0.61 0.08 -1.00 0.00 0.00 179.01 178.06 2k1q s VAL 33 N -4.85 4.44 0.02 3.13 1.01 -1.26 -2.98 120.40 119.91 2k1q s VAL 33 Ca -0.07 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2k1q s VAL 33 Cb 0.15 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2k1q s VAL 33 CO 0.77 0.43 -0.24 -1.10 0.00 0.00 0.00 175.10 174.95 2k1q s GLN 34 N 0.75 1.97 -0.01 2.72 -0.21 -1.22 -5.01 119.66 118.65 2k1q s GLN 34 Ca 0.02 -1.02 -0.30 0.00 0.02 0.00 0.00 55.36 54.09 2k1q s GLN 34 Cb -0.14 -2.05 -0.03 0.00 1.00 0.00 0.00 33.01 31.79 2k1q s GLN 34 CO 0.02 0.54 1.05 0.54 -2.12 0.00 0.00 175.29 175.32 2k1q s VAL 35 N -0.76 4.63 0.07 1.09 0.11 -1.26 -2.93 120.40 121.35 2k1q s VAL 35 Ca 0.12 1.89 0.09 0.00 -2.93 0.00 0.00 61.98 61.15 2k1q s VAL 35 Cb -0.10 -4.21 -0.03 0.00 -1.53 0.00 0.00 36.38 30.51 2k1q s VAL 35 CO 0.01 0.11 -0.24 0.68 -3.33 0.00 0.00 175.10 172.34 2k1q s VAL 36 N 1.29 1.95 0.23 2.04 -7.23 -0.69 -4.17 120.40 113.82 2k1q s VAL 36 Ca 0.53 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 59.23 2k1q s VAL 36 Cb -0.23 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 2k1q s VAL 36 CO 0.26 0.20 0.28 -0.44 -0.31 0.00 0.00 175.10 175.09 2k1q s SER 37 N -1.48 0.19 0.04 4.85 0.01 -1.09 -1.57 113.70 114.65 2k1q s SER 37 Ca 0.10 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.10 2k1q s SER 37 Cb -0.10 0.48 -0.00 0.00 0.21 0.00 0.00 66.02 66.61 2k1q s SER 37 CO 0.03 -0.98 0.02 0.35 0.41 0.00 0.00 173.24 173.07 2k1q n THR 38 N -0.34 0.00 0.10 1.44 -2.24 0.23 -2.03 114.28 111.43 2k1q n THR 38 Ca 0.01 -0.23 0.05 0.00 -2.27 0.00 0.00 64.05 61.61 2k1q n THR 38 Cb 0.64 0.09 0.48 0.00 -2.10 0.00 0.00 70.33 69.44 2k1q n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q h ALA 39 N 1.08 1.74 0.00 6.98 0.00 -2.00 -3.33 119.26 123.73 2k1q h ALA 39 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k1q h ALA 39 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k1q h ALA 39 CO 0.04 0.21 -0.04 2.41 0.00 0.00 0.00 179.25 181.88 2k1q n THR 40 N -4.45 0.00 -4.30 0.00 -1.04 -1.26 -5.09 114.28 98.14 2k1q n THR 40 Ca 0.01 -0.15 -0.27 0.00 -2.04 0.00 0.00 64.05 61.59 2k1q n THR 40 Cb 0.11 0.91 -0.10 0.00 -1.82 0.00 0.00 70.33 69.44 2k1q n THR 40 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2k1q s GLN 41 N -0.38 2.00 -0.07 -2.82 2.00 -1.25 -5.13 119.66 114.00 2k1q s GLN 41 Ca 0.00 -1.28 -0.03 0.00 -2.00 0.00 0.00 55.36 52.05 2k1q s GLN 41 Cb 0.00 -2.13 0.04 0.00 0.80 0.00 0.00 33.01 31.72 2k1q s GLN 41 CO 0.00 0.44 0.16 -1.12 -0.50 0.00 0.00 175.29 174.27 2k1q s SER 42 N -2.76 0.01 0.35 6.67 0.01 -1.26 0.76 113.70 117.48 2k1q s SER 42 Ca 0.24 0.34 -0.13 0.00 1.31 0.00 0.00 55.95 57.71 2k1q s SER 42 Cb -0.09 0.23 0.05 0.00 0.21 0.00 0.00 66.02 66.43 2k1q s SER 42 CO 0.14 -0.17 0.69 2.22 0.41 0.00 0.00 173.24 176.53 2k1q n PHE 43 N 4.41 -2.18 -4.29 2.43 -1.74 -0.61 -4.64 117.46 110.84 2k1q n PHE 43 Ca -0.23 -1.66 -0.26 0.00 -0.56 0.00 0.00 57.45 54.75 2k1q n PHE 43 Cb 0.51 0.81 -0.09 0.00 1.52 0.00 0.00 39.48 42.23 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 3.04 0.17 5.98 1.43 -1.10 -1.70 118.68 126.49 2k1q s LEU 44 Ca 0.14 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 2k1q s LEU 44 Cb -0.04 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2k1q s LEU 44 CO 0.11 0.08 -0.10 0.00 0.23 0.00 0.00 176.35 176.67 2k1q s ALA 45 N -1.84 1.60 -0.09 4.21 0.00 -1.15 -3.79 121.76 120.69 2k1q s ALA 45 Ca 0.26 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.72 2k1q s ALA 45 Cb -0.08 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 2k1q s ALA 45 CO 0.16 -0.08 -0.24 0.99 0.00 0.00 0.00 175.76 176.59 2k1q s THR 46 N -3.26 2.06 -0.57 0.00 2.01 -0.30 -3.37 115.64 112.21 2k1q s THR 46 Ca 0.19 -1.03 -0.22 0.00 0.31 0.00 0.00 61.69 60.94 2k1q s THR 46 Cb 0.02 -1.78 0.06 0.00 0.01 0.00 0.00 72.50 70.81 2k1q s THR 46 CO 0.03 0.56 0.85 0.00 -0.69 0.00 0.00 174.62 175.36 2k1q s VAL 48 N 3.55 3.71 -1.44 0.00 1.01 0.13 -1.86 120.40 125.50 2k1q s VAL 48 Ca 0.23 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 2k1q s VAL 48 Cb -0.16 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.65 2k1q s VAL 48 CO 0.14 0.50 1.06 -3.20 0.00 0.00 0.00 175.10 173.60 2k1q n ASN 49 N 3.51 -5.75 -0.80 3.32 2.85 -1.26 -1.21 115.26 115.91 2k1q n ASN 49 Ca -0.18 -0.61 -0.10 0.00 -0.11 0.00 0.00 54.58 53.58 2k1q n ASN 49 Cb 0.53 -4.55 -0.04 0.00 1.24 0.00 0.00 39.78 36.95 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 -1.84 1.19 2.91 8.20 0.00 -1.26 -5.00 105.19 109.38 2k1q n GLY 50 Ca 0.01 -0.55 -0.20 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 -2.39 0.60 0.47 1.61 1.01 -0.35 -3.25 120.40 118.11 2k1q s VAL 51 Ca 0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 2k1q s VAL 51 Cb 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.69 2k1q s VAL 51 CO 0.00 0.24 1.12 0.00 0.00 0.00 0.00 175.10 176.45 2k1q s TRP 53 N -1.67 0.17 0.13 0.00 0.52 0.15 -2.68 118.94 115.56 2k1q s TRP 53 Ca 0.65 -0.29 -0.20 0.00 0.02 0.00 0.00 56.10 56.27 2k1q s TRP 53 Cb -0.25 -0.12 0.07 0.00 -1.15 0.00 0.00 33.47 32.02 2k1q s TRP 53 CO 0.30 -0.10 0.95 -2.37 0.02 0.00 0.00 176.95 175.75 2k1q n THR 54 N 2.26 0.00 -1.76 2.01 5.66 -0.88 -1.15 114.28 120.41 2k1q n THR 54 Ca -0.19 -0.44 -0.31 0.00 -3.05 0.00 0.00 64.05 60.07 2k1q n THR 54 Cb 0.57 0.65 0.04 0.00 -1.55 0.00 0.00 70.33 70.05 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 -2.10 3.94 -0.03 1.08 0.11 -1.26 -1.34 120.40 120.80 2k1q s VAL 55 Ca 0.21 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 2k1q s VAL 55 Cb -0.02 -3.53 -0.26 0.00 -1.53 0.00 0.00 36.38 31.03 2k1q s VAL 55 CO 0.04 -0.82 0.71 0.22 -3.33 0.00 0.00 175.10 171.92 2k1q h TYR 56 N -0.62 0.33 0.00 1.54 3.20 -0.85 -3.30 116.97 117.27 2k1q h TYR 56 Ca -0.45 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.17 2k1q h TYR 56 Cb 1.23 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 2k1q h TYR 56 CO 0.57 1.37 -0.04 1.12 -1.64 0.00 0.00 178.16 179.54 2k1q h HIS 57 N 0.05 0.00 0.02 -3.82 2.07 -1.95 0.83 115.15 112.35 2k1q h HIS 57 Ca -0.29 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.23 2k1q h HIS 57 Cb 2.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.99 2k1q h HIS 57 CO 0.05 0.04 -0.01 0.78 -3.07 0.00 0.00 177.93 175.72 2k1q h GLY 58 N 0.63 -0.02 0.00 6.13 0.00 -1.96 -3.42 103.07 104.43 2k1q h GLY 58 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2k1q h GLY 58 CO 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 176.54 176.37 2k1q h ALA 59 N -1.01 0.00 -0.65 3.60 0.00 -1.61 -3.46 119.26 116.13 2k1q h ALA 59 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k1q h ALA 59 Cb 0.02 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k1q h ALA 59 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2k1q n GLY 60 N 1.75 0.80 3.90 0.00 0.00 0.29 -3.76 105.19 108.17 2k1q n GLY 60 Ca -0.02 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 1.57 -4.95 -4.89 1.61 3.41 -1.26 -4.98 113.62 104.12 2k1q n SER 61 Ca 0.00 -0.76 -0.28 0.00 -0.26 0.00 0.00 58.87 57.57 2k1q n SER 61 Cb 0.47 -3.96 -0.01 0.00 -0.26 0.00 0.00 64.21 60.45 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 -6.61 2.24 0.33 4.33 1.02 -1.25 -5.08 119.74 114.73 2k1q s LYS 62 Ca 0.67 -2.12 -0.29 0.00 0.02 0.00 0.00 55.97 54.24 2k1q s LYS 62 Cb -0.33 -1.99 -0.10 0.00 -0.52 0.00 0.00 37.83 34.89 2k1q s LYS 62 CO 0.82 -0.62 1.38 0.99 -0.92 0.00 0.00 175.35 177.00 2k1q s THR 63 N -2.82 2.50 -0.03 2.17 2.01 -1.26 -4.95 115.64 113.26 2k1q s THR 63 Ca 0.27 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.84 2k1q s THR 63 Cb -0.02 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.16 2k1q s THR 63 CO 0.17 0.11 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.74 2k1q s LEU 64 N -1.70 2.07 -0.32 4.42 2.96 -1.26 -4.83 118.68 120.01 2k1q s LEU 64 Ca 0.51 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 2k1q s LEU 64 Cb -0.42 -1.35 0.05 0.00 0.50 0.00 0.00 46.19 44.96 2k1q s LEU 64 CO 0.55 0.30 0.05 0.00 -1.32 0.00 0.00 176.35 175.93 2k1q s ALA 65 N -0.47 2.92 0.15 5.97 0.00 -0.86 -1.58 121.76 127.89 2k1q s ALA 65 Ca 0.06 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.25 2k1q s ALA 65 Cb -0.11 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 20.94 2k1q s ALA 65 CO 0.00 -1.32 0.17 0.41 0.00 0.00 0.00 175.76 175.03 2k1q n GLY 66 N 4.70 2.34 0.23 0.00 0.00 0.82 -2.67 105.19 110.61 2k1q n GLY 66 Ca -0.12 -2.17 0.01 0.00 0.00 0.00 0.00 46.02 43.73 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 0.26 0.00 1.61 0.13 -1.98 -2.59 132.00 129.43 2k1q h PRO 67 Ca -0.08 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 64.80 2k1q h PRO 67 Cb 0.34 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 2k1q h PRO 67 CO 0.12 0.45 -0.83 -0.22 -0.23 0.00 0.00 178.00 177.29 2k1q h LYS 68 N 0.24 0.08 0.00 0.86 3.64 -1.95 -3.50 116.57 115.95 2k1q h LYS 68 Ca 0.04 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2k1q h LYS 68 Cb 0.48 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2k1q h LYS 68 CO 0.03 0.86 0.00 0.41 -2.27 0.00 0.00 179.45 178.48 2k1q n GLY 69 N 0.80 0.40 3.79 5.01 0.00 -0.98 -5.10 105.19 109.12 2k1q n GLY 69 Ca -0.02 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 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 2.95 -0.01 1.61 0.04 -1.26 -0.13 135.00 136.21 2k1q s PRO 70 Ca 0.00 1.28 0.04 0.00 0.04 0.00 0.00 61.00 62.36 2k1q s PRO 70 Cb 0.00 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2k1q s PRO 70 CO 0.00 -1.11 -0.13 0.42 0.04 0.00 0.00 177.00 176.22 2k1q s ILE 71 N -2.47 1.02 0.30 0.56 1.01 -0.61 -4.83 121.20 116.17 2k1q s ILE 71 Ca 0.65 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.61 2k1q s ILE 71 Cb -0.18 -0.85 -0.08 0.00 0.01 0.00 0.00 42.46 41.35 2k1q s ILE 71 CO 0.42 0.29 0.68 -0.89 0.00 0.00 0.00 174.94 175.44 2k1q s THR 72 N -0.30 4.76 0.00 2.92 2.01 -1.26 -4.19 115.64 119.58 2k1q s THR 72 Ca 0.05 0.77 -0.15 0.00 0.31 0.00 0.00 61.69 62.67 2k1q s THR 72 Cb -0.05 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 2k1q s THR 72 CO -0.00 -0.19 0.42 -1.10 -0.69 0.00 0.00 174.62 173.06 2k1q s GLN 73 N -3.02 3.93 -0.02 4.92 -0.21 -1.26 -0.81 119.66 123.19 2k1q s GLN 73 Ca 0.52 0.43 0.01 0.00 0.02 0.00 0.00 55.36 56.34 2k1q s GLN 73 Cb -0.10 -3.22 -0.02 0.00 1.00 0.00 0.00 33.01 30.67 2k1q s GLN 73 CO 0.20 0.69 -0.00 -1.33 -2.12 0.00 0.00 175.29 172.72 2k1q n MET 74 N 1.82 2.83 -4.02 2.91 2.81 -0.67 -4.71 117.12 118.08 2k1q n MET 74 Ca -0.14 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.65 2k1q n MET 74 Cb 0.52 -1.04 -0.11 0.00 -0.71 0.00 0.00 33.22 31.88 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 -2.04 0.46 -0.14 2.03 2.02 -1.03 -4.84 117.35 113.82 2k1q s TYR 75 Ca -0.01 -0.55 -0.09 0.00 -0.37 0.00 0.00 57.07 56.04 2k1q s TYR 75 Cb 0.01 -0.30 0.05 0.00 -0.40 0.00 0.00 41.96 41.31 2k1q s TYR 75 CO 0.06 -0.15 0.35 0.99 -1.57 0.00 0.00 175.55 175.22 2k1q s THR 76 N -1.59 -0.02 -0.29 -0.71 2.01 -1.26 -1.15 115.64 112.63 2k1q s THR 76 Ca -0.12 0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 2k1q s THR 76 Cb -0.09 -0.51 0.11 0.00 0.01 0.00 0.00 72.50 72.02 2k1q s THR 76 CO -0.01 0.03 0.17 0.21 -0.69 0.00 0.00 174.62 174.33 2k1q s ASN 77 N 0.87 3.06 0.17 3.53 3.84 0.39 -5.00 114.94 121.80 2k1q s ASN 77 Ca -0.06 -1.14 -0.07 0.00 0.21 0.00 0.00 52.86 51.80 2k1q s ASN 77 Cb -0.06 -0.14 0.05 0.00 -0.55 0.00 0.00 41.25 40.55 2k1q s ASN 77 CO -0.06 -0.43 1.51 0.58 -2.79 0.00 0.00 177.10 175.91 2k1q h VAL 78 N 6.38 1.29 -0.47 -5.21 2.07 -1.96 -0.96 116.25 117.38 2k1q h VAL 78 Ca -0.18 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.73 2k1q h VAL 78 Cb 1.03 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 2k1q h VAL 78 CO 0.41 0.52 0.31 -0.78 0.02 0.00 0.00 177.57 178.05 2k1q h ASP 79 N 0.63 0.54 -0.12 0.57 1.82 -1.95 -2.17 116.42 115.74 2k1q h ASP 79 Ca 0.04 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2k1q h ASP 79 Cb 0.99 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.86 2k1q h ASP 79 CO 0.09 0.39 0.00 0.00 -1.61 0.00 0.00 179.24 178.11 2k1q n GLN 80 N -4.76 1.72 -3.72 0.28 1.13 -1.21 -4.94 117.38 105.88 2k1q n GLN 80 Ca 0.02 -1.07 -0.23 0.00 -1.94 0.00 0.00 57.00 53.78 2k1q n GLN 80 Cb 0.02 -1.43 0.04 0.00 0.11 0.00 0.00 30.24 28.98 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2k1q n ASP 81 N 0.29 -2.12 -3.90 1.08 2.03 -0.49 -4.87 116.55 108.58 2k1q n ASP 81 Ca 0.17 -0.79 -0.11 0.00 0.52 0.00 0.00 54.79 54.58 2k1q n ASP 81 Cb 0.34 -4.13 -0.13 0.00 -0.72 0.00 0.00 41.12 36.48 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 -6.80 2.07 0.01 -2.67 1.43 -0.49 -0.20 118.68 112.03 2k1q s LEU 82 Ca 0.15 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2k1q s LEU 82 Cb -0.07 0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.17 2k1q s LEU 82 CO 0.81 -0.09 -0.02 0.54 0.23 0.00 0.00 176.35 177.81 2k1q s VAL 83 N -0.45 0.10 0.12 -1.59 0.11 -0.45 -0.46 120.40 117.78 2k1q s VAL 83 Ca -0.05 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.62 2k1q s VAL 83 Cb -0.03 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 2k1q s VAL 83 CO -0.00 -0.22 -0.16 -0.83 -3.33 0.00 0.00 175.10 170.56 2k1q s GLY 84 N -0.70 1.12 0.38 6.54 0.00 -0.30 -2.08 107.32 112.29 2k1q s GLY 84 Ca -0.07 -1.28 0.08 0.00 0.00 0.00 0.00 44.72 43.45 2k1q s GLY 84 CO -0.00 -1.32 -0.03 -0.98 0.00 0.00 0.00 173.10 170.76 2k1q s TRP 85 N -1.88 2.46 -0.46 1.90 0.51 -1.09 -1.68 118.94 118.70 2k1q s TRP 85 Ca 0.08 -0.61 -0.29 0.00 -2.12 0.00 0.00 56.10 53.16 2k1q s TRP 85 Cb -0.06 -1.62 0.02 0.00 -0.81 0.00 0.00 33.47 31.00 2k1q s TRP 85 CO 0.04 0.49 1.33 -1.14 -0.51 0.00 0.00 176.95 177.16 2k1q s GLN 86 N -3.68 3.57 0.37 4.98 0.74 0.01 -2.28 119.66 123.37 2k1q s GLN 86 Ca 0.34 0.73 -0.28 0.00 0.05 0.00 0.00 55.36 56.20 2k1q s GLN 86 Cb 0.07 -4.01 -0.10 0.00 1.10 0.00 0.00 33.01 30.07 2k1q s GLN 86 CO 0.17 -1.58 1.38 0.00 -0.55 0.00 0.00 175.29 174.71 2k1q s ALA 87 N 5.26 3.46 0.77 1.58 0.00 -1.20 -4.70 121.76 126.93 2k1q s ALA 87 Ca 0.56 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.79 2k1q s ALA 87 Cb -0.11 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.53 2k1q s ALA 87 CO 0.31 -0.86 1.09 -1.25 0.00 0.00 0.00 175.76 175.05 2k1q s PRO 88 N -2.02 2.29 0.71 0.00 0.04 -1.26 -4.95 135.00 129.81 2k1q s PRO 88 Ca 0.52 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 2k1q s PRO 88 Cb -0.42 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.24 2k1q s PRO 88 CO 0.56 -1.62 1.10 -1.25 0.04 0.00 0.00 177.00 175.83 2k1q s PRO 89 N -4.90 2.56 -0.90 0.56 0.04 -1.26 -3.48 135.00 127.61 2k1q s PRO 89 Ca 0.61 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 2k1q s PRO 89 Cb -0.17 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2k1q s PRO 89 CO 0.56 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2k1q n GLY 90 N -0.91 -0.07 3.51 0.56 0.00 -1.26 -5.02 105.19 102.02 2k1q n GLY 90 Ca 0.10 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2k1q n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1q s ALA 91 N -2.53 2.77 0.39 4.61 0.00 -1.23 -4.91 121.76 120.87 2k1q s ALA 91 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.85 2k1q s ALA 91 Cb -0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.01 2k1q s ALA 91 CO 0.00 0.57 0.80 0.50 0.00 0.00 0.00 175.76 177.62 2k1q s ARG 92 N -0.85 3.90 0.31 0.00 6.06 -1.26 -4.92 118.95 122.18 2k1q s ARG 92 Ca 0.12 0.64 0.03 0.00 -2.50 0.00 0.00 55.73 54.02 2k1q s ARG 92 Cb -0.11 -2.36 -0.06 0.00 0.06 0.00 0.00 34.95 32.48 2k1q s ARG 92 CO 0.02 -0.00 0.07 -1.54 -2.50 0.00 0.00 175.30 171.35 2k1q s SER 93 N -2.78 2.02 -0.01 -2.12 1.04 -1.26 -4.45 113.70 106.13 2k1q s SER 93 Ca 0.54 -1.38 0.02 0.00 0.48 0.00 0.00 55.95 55.61 2k1q s SER 93 Cb -0.10 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 2k1q s SER 93 CO 0.25 -0.65 -0.05 -0.76 0.98 0.00 0.00 173.24 173.02 2k1q s LEU 94 N -3.44 3.26 0.74 2.42 1.43 -0.78 -4.91 118.68 117.42 2k1q s LEU 94 Ca 0.37 -0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 2k1q s LEU 94 Cb 0.08 -1.85 0.10 0.00 0.03 0.00 0.00 46.19 44.55 2k1q s LEU 94 CO 0.15 0.29 1.05 0.42 0.23 0.00 0.00 176.35 178.50 2k1q s THR 95 N -0.99 2.22 0.58 5.49 -4.23 -1.26 -4.10 115.64 113.34 2k1q s THR 95 Ca 0.17 -0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 60.30 2k1q s THR 95 Cb -0.11 -2.92 -0.02 0.00 1.34 0.00 0.00 72.50 70.79 2k1q s THR 95 CO 0.07 0.00 0.93 -2.16 -0.54 0.00 0.00 174.62 172.93 2k1q s PRO 96 N -5.32 3.38 0.02 3.99 0.04 -1.26 0.24 135.00 136.09 2k1q s PRO 96 Ca 0.63 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 2k1q s PRO 96 Cb -0.09 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 2k1q s PRO 96 CO 0.46 -0.52 1.06 0.00 0.04 0.00 0.00 177.00 178.04 2k1q n THR 98 N 3.91 0.79 -0.75 0.00 -1.04 -1.26 -4.83 114.28 111.10 2k1q n THR 98 Ca 0.07 -4.38 0.00 0.00 -2.04 0.00 0.00 64.05 57.70 2k1q n THR 98 Cb 0.49 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 2k1q n THR 98 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1q n GLY 100 N 0.00 -0.55 3.59 0.00 0.00 -1.26 -4.96 105.19 102.01 2k1q n GLY 100 Ca 0.00 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.31 6.02 0.38 1.61 0.01 -1.26 -4.96 113.70 112.19 2k1q s SER 101 Ca 0.59 -0.01 0.18 0.00 1.31 0.00 0.00 55.95 58.01 2k1q s SER 101 Cb -0.26 -2.12 0.77 0.00 0.21 0.00 0.00 66.02 64.62 2k1q s SER 101 CO 0.73 -0.05 1.79 0.77 0.41 0.00 0.00 173.24 176.89 2k1q h SER 102 N 8.37 0.00 -2.88 2.44 4.64 -1.93 -3.44 113.55 120.76 2k1q h SER 102 Ca -0.35 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.44 2k1q h SER 102 Cb 1.19 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2k1q h SER 102 CO 0.55 0.36 0.83 -0.62 -0.87 0.00 0.00 176.83 177.08 2k1q s ASP 103 N -6.56 6.69 0.05 4.97 -1.08 -1.26 -0.32 116.67 119.15 2k1q s ASP 103 Ca -0.01 2.48 0.03 0.00 -0.52 0.00 0.00 52.55 54.52 2k1q s ASP 103 Cb 0.12 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.97 2k1q s ASP 103 CO 0.69 -0.76 -0.09 -0.76 0.52 0.00 0.00 175.17 174.77 2k1q s LEU 104 N 1.29 2.26 -0.16 -1.34 1.43 0.34 -4.05 118.68 118.46 2k1q s LEU 104 Ca 0.68 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2k1q s LEU 104 Cb -0.40 -0.23 0.00 0.00 0.03 0.00 0.00 46.19 45.59 2k1q s LEU 104 CO 0.31 -0.18 -0.17 -0.31 0.23 0.00 0.00 176.35 176.23 2k1q s TYR 105 N -1.36 2.77 -0.12 0.29 2.02 -0.43 -0.83 117.35 119.70 2k1q s TYR 105 Ca -0.08 -1.20 -0.07 0.00 -0.37 0.00 0.00 57.07 55.35 2k1q s TYR 105 Cb -0.10 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 2k1q s TYR 105 CO 0.01 -0.57 0.14 -1.17 -1.57 0.00 0.00 175.55 172.39 2k1q s LEU 106 N 0.95 4.39 -0.07 -1.29 2.96 -1.21 -1.31 118.68 123.11 2k1q s LEU 106 Ca -0.03 0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 54.25 2k1q s LEU 106 Cb -0.15 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2k1q s LEU 106 CO -0.03 0.41 0.26 -0.69 -1.32 0.00 0.00 176.35 174.98 2k1q s VAL 107 N -1.03 5.30 0.45 1.68 1.01 -1.22 -3.40 120.40 123.19 2k1q s VAL 107 Ca 0.15 0.48 0.05 0.00 0.00 0.00 0.00 61.98 62.66 2k1q s VAL 107 Cb -0.12 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2k1q s VAL 107 CO 0.04 0.60 0.02 0.42 0.00 0.00 0.00 175.10 176.18 2k1q s THR 108 N -1.05 1.71 0.48 3.92 -4.23 -1.01 -4.56 115.64 110.91 2k1q s THR 108 Ca 0.19 -1.98 0.26 0.00 -1.18 0.00 0.00 61.69 58.98 2k1q s THR 108 Cb -0.14 -2.69 0.30 0.00 1.34 0.00 0.00 72.50 71.32 2k1q s THR 108 CO 0.08 0.00 2.13 0.03 -0.54 0.00 0.00 174.62 176.32 2k1q h ARG 109 N 1.59 0.00 -0.85 3.99 3.08 -1.90 -2.02 114.38 118.27 2k1q h ARG 109 Ca -0.44 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.47 2k1q h ARG 109 Cb 1.27 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.23 2k1q h ARG 109 CO 0.78 0.08 0.18 0.72 -1.07 0.00 0.00 179.97 180.66 2k1q n HIS 110 N -3.81 1.60 -1.76 3.04 8.25 -1.26 -4.86 115.22 116.42 2k1q n HIS 110 Ca -0.02 -0.85 -0.16 0.00 -0.26 0.00 0.00 57.72 56.42 2k1q n HIS 110 Cb 0.18 -0.51 -0.05 0.00 1.12 0.00 0.00 29.99 30.73 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 -0.02 -0.39 -2.66 -1.41 0.00 -0.76 -4.95 120.51 110.33 2k1q n ALA 111 Ca 0.27 0.22 -0.27 0.00 0.00 0.00 0.00 53.44 53.65 2k1q n ALA 111 Cb 1.03 -1.68 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.25 6.39 -0.06 0.00 1.01 -1.26 -4.87 116.67 115.64 2k1q s ASP 112 Ca 0.00 0.52 0.02 0.00 0.71 0.00 0.00 52.55 53.80 2k1q s ASP 112 Cb 0.00 -2.06 0.02 0.00 1.01 0.00 0.00 42.92 41.89 2k1q s ASP 112 CO 0.00 -0.13 -0.10 0.54 0.21 0.00 0.00 175.17 175.68 2k1q s VAL 113 N -2.01 1.00 -0.18 -1.27 0.11 -1.26 -2.41 120.40 114.38 2k1q s VAL 113 Ca 0.41 -0.40 -0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2k1q s VAL 113 Cb -0.11 -0.93 -0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2k1q s VAL 113 CO 0.30 0.32 -0.11 -0.51 -3.33 0.00 0.00 175.10 171.78 2k1q s ILE 114 N 0.72 2.98 0.15 7.04 -1.16 -1.22 -4.93 121.20 124.78 2k1q s ILE 114 Ca -0.14 -0.65 -0.31 0.00 -0.51 0.00 0.00 60.65 59.04 2k1q s ILE 114 Cb -0.15 -2.30 -0.09 0.00 0.61 0.00 0.00 42.46 40.52 2k1q s ILE 114 CO 0.03 0.48 1.54 -2.16 -2.81 0.00 0.00 174.94 172.02 2k1q s PRO 115 N 1.07 4.23 -0.06 3.50 0.04 -1.26 -3.34 135.00 139.17 2k1q s PRO 115 Ca -0.00 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.36 2k1q s PRO 115 Cb -0.15 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.19 2k1q s PRO 115 CO -0.02 -0.58 -0.12 0.08 0.04 0.00 0.00 177.00 176.40 2k1q s VAL 116 N 1.27 1.09 0.31 -0.36 1.01 -0.01 -3.96 120.40 119.75 2k1q s VAL 116 Ca 0.69 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 2k1q s VAL 116 Cb -0.42 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 34.87 2k1q s VAL 116 CO 0.31 0.35 0.73 -0.60 0.00 0.00 0.00 175.10 175.88 2k1q s ARG 117 N 0.68 4.02 -0.26 2.72 6.06 -1.18 -0.50 118.95 130.49 2k1q s ARG 117 Ca -0.14 0.67 -0.19 0.00 -2.50 0.00 0.00 55.73 53.56 2k1q s ARG 117 Cb -0.16 -2.48 -0.02 0.00 0.06 0.00 0.00 34.95 32.35 2k1q s ARG 117 CO 0.04 0.19 0.59 0.50 -2.50 0.00 0.00 175.30 174.11 2k1q s ARG 118 N -2.88 4.10 -0.17 5.12 3.52 0.56 -1.54 118.95 127.66 2k1q s ARG 118 Ca 0.53 0.47 0.17 0.00 -0.13 0.00 0.00 55.73 56.77 2k1q s ARG 118 Cb -0.11 -3.65 0.49 0.00 -1.56 0.00 0.00 34.95 30.12 2k1q s ARG 118 CO 0.18 -0.39 1.38 0.54 -0.81 0.00 0.00 175.30 176.20 2k1q n ARG 119 N 5.65 2.65 -3.66 5.12 5.12 0.39 -4.91 116.66 127.02 2k1q n ARG 119 Ca -0.02 -2.81 0.00 0.00 -1.93 0.00 0.00 57.85 53.10 2k1q n ARG 119 Cb 0.49 -1.79 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 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 -0.66 -2.31 0.35 -0.13 0.00 -0.92 -4.78 105.19 96.73 2k1q n GLY 120 Ca 0.21 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 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 1.12 0.00 1.61 3.32 -1.97 -3.27 116.42 117.23 2k1q h ASP 121 Ca 0.00 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 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 0.96 -0.48 -1.54 -1.72 0.00 0.00 179.24 176.45 2k1q n SER 122 N -4.29 1.20 -4.16 6.45 3.41 -1.26 -4.38 113.62 110.58 2k1q n SER 122 Ca 0.08 -2.67 -0.25 0.00 -0.26 0.00 0.00 58.87 55.77 2k1q n SER 122 Cb 0.15 -0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 63.60 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 -1.42 1.46 0.21 4.33 6.06 -1.24 -1.96 118.95 126.41 2k1q s ARG 123 Ca 0.24 -0.62 -0.00 0.00 -2.50 0.00 0.00 55.73 52.85 2k1q s ARG 123 Cb 0.23 -1.39 -0.04 0.00 0.06 0.00 0.00 34.95 33.82 2k1q s ARG 123 CO -0.04 0.36 0.14 0.20 -2.50 0.00 0.00 175.30 173.46 2k1q s GLY 124 N -0.34 1.52 0.18 8.12 0.00 -0.83 -0.46 107.32 115.50 2k1q s GLY 124 Ca 0.05 -1.73 0.11 0.00 0.00 0.00 0.00 44.72 43.15 2k1q s GLY 124 CO -0.00 -1.41 -0.25 -1.35 0.00 0.00 0.00 173.10 170.09 2k1q s SER 125 N -3.18 3.38 -0.29 1.64 1.04 -0.59 -2.05 113.70 113.65 2k1q s SER 125 Ca 0.39 -0.83 -0.13 0.00 0.48 0.00 0.00 55.95 55.86 2k1q s SER 125 Cb 0.07 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 2k1q s SER 125 CO 0.13 0.13 0.28 -0.22 0.98 0.00 0.00 173.24 174.55 2k1q s LEU 126 N -2.50 4.16 0.19 2.42 2.96 0.32 -3.08 118.68 123.14 2k1q s LEU 126 Ca 0.19 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 54.00 2k1q s LEU 126 Cb -0.08 -2.25 0.08 0.00 0.50 0.00 0.00 46.19 44.44 2k1q s LEU 126 CO 0.09 -0.16 1.67 -0.07 -1.32 0.00 0.00 176.35 176.55 2k1q h LEU 127 N 8.52 1.07 -8.19 -0.68 4.07 -1.84 -3.39 115.31 114.87 2k1q h LEU 127 Ca -0.33 -0.28 -0.69 0.00 0.08 0.00 0.00 57.88 56.66 2k1q h LEU 127 Cb 1.17 -0.29 -0.29 0.00 1.08 0.00 0.00 40.66 42.33 2k1q h LEU 127 CO 0.61 1.08 -0.62 -0.44 -1.08 0.00 0.00 178.44 178.00 2k1q s SER 128 N -6.53 5.27 -0.14 -0.43 0.01 -1.26 -5.05 113.70 105.56 2k1q s SER 128 Ca -0.12 -1.14 -0.29 0.00 1.31 0.00 0.00 55.95 55.71 2k1q s SER 128 Cb 0.14 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.47 2k1q s SER 128 CO 0.86 -0.32 1.84 -2.16 0.41 0.00 0.00 173.24 173.87 2k1q s PRO 129 N 1.39 3.77 0.20 12.44 0.04 -1.26 -4.97 135.00 146.61 2k1q s PRO 129 Ca -0.02 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.13 2k1q s PRO 129 Cb -0.19 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.16 2k1q s PRO 129 CO 0.02 -1.34 -0.14 1.03 0.04 0.00 0.00 177.00 176.61 2k1q s ARG 130 N 4.92 1.31 0.78 4.56 0.52 -1.25 -4.93 118.95 124.86 2k1q s ARG 130 Ca 0.82 -1.58 -0.13 0.00 -0.52 0.00 0.00 55.73 54.32 2k1q s ARG 130 Cb -0.32 -1.08 0.07 0.00 0.52 0.00 0.00 34.95 34.14 2k1q s ARG 130 CO 0.34 0.18 1.16 -1.25 0.02 0.00 0.00 175.30 175.74 2k1q s PRO 131 N -3.65 1.94 0.52 3.54 0.04 -1.26 -1.61 135.00 134.52 2k1q s PRO 131 Ca 0.22 1.55 0.16 0.00 0.04 0.00 0.00 61.00 62.97 2k1q s PRO 131 Cb -0.00 -1.83 1.27 0.00 0.04 0.00 0.00 34.50 33.97 2k1q s PRO 131 CO 0.06 -1.94 2.15 -0.39 0.04 0.00 0.00 177.00 176.92 2k1q h VAL 132 N -0.82 1.00 -0.21 -0.36 -1.51 -1.90 -1.22 116.25 111.24 2k1q h VAL 132 Ca -0.46 -0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.99 2k1q h VAL 132 Cb 1.27 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 2k1q h VAL 132 CO 0.48 0.00 0.02 -1.28 -1.23 0.00 0.00 177.57 175.56 2k1q h SER 133 N 0.00 0.27 -1.01 4.19 0.87 -1.90 0.64 113.55 116.61 2k1q h SER 133 Ca 0.00 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2k1q h SER 133 Cb 0.01 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 2k1q h SER 133 CO -0.00 0.30 0.67 0.22 -0.53 0.00 0.00 176.83 177.49 2k1q h TYR 134 N 0.29 1.27 -0.02 2.24 5.03 -1.56 -2.66 116.97 121.56 2k1q h TYR 134 Ca 0.07 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.41 2k1q h TYR 134 Cb 0.17 -0.43 0.00 0.00 1.55 0.00 0.00 36.73 38.02 2k1q h TYR 134 CO 0.00 0.80 -0.19 -0.11 -1.32 0.00 0.00 178.16 177.34 2k1q n LEU 135 N -4.38 2.60 -4.76 2.82 7.94 -0.89 -4.91 117.00 115.42 2k1q n LEU 135 Ca 0.12 -0.90 -0.40 0.00 -1.11 0.00 0.00 56.01 53.71 2k1q n LEU 135 Cb 0.01 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.93 2k1q n LEU 135 CO 0.37 0.45 0.90 -0.54 -1.11 0.00 0.00 177.39 177.46 2k1q s LYS 136 N -2.17 4.48 0.00 1.96 -0.14 0.17 -2.43 119.74 121.61 2k1q s LYS 136 Ca 0.24 2.04 0.00 0.00 -1.36 0.00 0.00 55.97 56.89 2k1q s LYS 136 Cb 0.19 -3.12 0.00 0.00 -1.68 0.00 0.00 37.83 33.22 2k1q s LYS 136 CO 0.40 -0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.39 2k1q n GLY 137 N 0.96 1.42 1.00 -3.33 0.00 -1.26 -4.85 105.19 99.14 2k1q n GLY 137 Ca -0.00 0.00 0.08 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 3.82 -4.77 1.61 7.64 -1.02 -4.35 113.62 116.54 2k1q n SER 138 Ca 0.00 -2.51 -0.35 0.00 1.01 0.00 0.00 58.87 57.02 2k1q n SER 138 Cb 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 -1.31 5.76 0.00 6.43 0.15 -1.26 -3.09 113.70 120.37 2k1q s SER 139 Ca 0.38 2.17 0.00 0.00 0.70 0.00 0.00 55.95 59.20 2k1q s SER 139 Cb 0.26 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2k1q s SER 139 CO 0.16 -1.19 0.00 0.61 1.20 0.00 0.00 173.24 174.01 2k1q n GLY 140 N 0.15 3.44 3.66 9.45 0.00 -0.93 -2.71 105.19 118.25 2k1q n GLY 140 Ca 0.11 0.00 -0.37 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 -2.00 -0.01 3.89 -0.02 0.00 -1.18 -4.07 105.19 101.80 2k1q n GLY 141 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.20 3.63 -0.42 1.61 0.04 -1.26 -1.82 135.00 133.58 2k1q s PRO 142 Ca 0.78 -0.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.63 2k1q s PRO 142 Cb -0.38 -2.87 0.04 0.00 0.04 0.00 0.00 34.50 31.33 2k1q s PRO 142 CO 0.45 0.48 0.31 -0.51 0.04 0.00 0.00 177.00 177.77 2k1q s LEU 143 N -2.53 5.20 -0.20 -3.56 1.43 -0.03 -3.43 118.68 115.56 2k1q s LEU 143 Ca 0.39 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 52.28 2k1q s LEU 143 Cb -0.12 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 2k1q s LEU 143 CO 0.23 -0.51 0.13 -0.76 0.23 0.00 0.00 176.35 175.68 2k1q s LEU 144 N 1.62 4.21 0.76 1.79 1.02 -0.42 0.56 118.68 128.22 2k1q s LEU 144 Ca 0.04 0.23 -0.11 0.00 0.02 0.00 0.00 54.13 54.31 2k1q s LEU 144 Cb -0.21 -2.09 0.05 0.00 0.02 0.00 0.00 46.19 43.96 2k1q s LEU 144 CO 0.07 0.18 1.09 0.00 0.02 0.00 0.00 176.35 177.72 2k1q h PRO 146 N -1.04 0.00 -0.61 0.00 0.13 -1.92 0.01 132.00 128.57 2k1q h PRO 146 Ca -0.44 0.00 -0.10 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 -0.01 1.03 -0.23 0.00 0.00 178.00 179.31 2k1q h SER 147 N 0.00 1.07 0.00 1.44 0.87 -1.94 -3.47 113.55 111.52 2k1q h SER 147 Ca 0.10 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2k1q h SER 147 Cb 0.95 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2k1q h SER 147 CO -0.00 1.12 0.00 0.61 -0.53 0.00 0.00 176.83 178.03 2k1q n GLY 148 N -0.41 1.41 3.12 5.77 0.00 -0.01 -5.15 105.19 109.92 2k1q n GLY 148 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.97 1.08 0.45 1.61 3.76 -1.25 -4.81 115.29 114.17 2k1q s HIS 149 Ca 0.00 -0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 54.30 2k1q s HIS 149 Cb 0.00 -0.64 -0.08 0.00 1.11 0.00 0.00 32.58 32.97 2k1q s HIS 149 CO 0.00 0.02 1.29 0.00 -0.85 0.00 0.00 174.74 175.20 2k1q s ALA 150 N -0.91 3.10 -0.01 -1.40 0.00 0.14 -1.82 121.76 120.85 2k1q s ALA 150 Ca -0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2k1q s ALA 150 Cb -0.08 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 2k1q s ALA 150 CO 0.01 -0.92 -0.01 0.28 0.00 0.00 0.00 175.76 175.12 2k1q n VAL 151 N -0.28 0.08 -3.47 0.00 0.31 0.19 0.41 118.33 115.58 2k1q n VAL 151 Ca 0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2k1q n VAL 151 Cb 0.45 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 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 3.42 0.95 3.06 2.92 0.00 -1.23 -1.46 105.19 112.84 2k1q n GLY 152 Ca -0.02 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.27 1.02 0.32 -0.61 1.01 -0.95 -0.85 121.20 118.86 2k1q s ILE 153 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 2k1q s ILE 153 Cb 0.00 -0.88 -0.10 0.00 0.01 0.00 0.00 42.46 41.49 2k1q s ILE 153 CO 0.00 0.30 1.40 0.12 0.00 0.00 0.00 174.94 176.76 2k1q s PHE 154 N -0.00 2.92 -0.03 3.97 5.36 -0.76 -2.27 117.98 127.17 2k1q s PHE 154 Ca -0.01 1.22 -0.03 0.00 -0.96 0.00 0.00 56.93 57.15 2k1q s PHE 154 Cb -0.08 -3.82 -0.02 0.00 -0.34 0.00 0.00 43.02 38.76 2k1q s PHE 154 CO 0.01 -2.43 -0.07 -2.13 -1.46 0.00 0.00 175.22 169.13 2k1q n ARG 155 N 1.24 0.11 -3.57 10.12 0.63 -0.02 -2.18 116.66 122.99 2k1q n ARG 155 Ca 0.03 0.05 -0.11 0.00 -0.92 0.00 0.00 57.85 56.89 2k1q n ARG 155 Cb 0.41 -0.68 -0.03 0.00 0.45 0.00 0.00 32.46 32.60 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 -2.11 -1.26 0.12 5.13 0.00 -1.21 -4.89 121.76 117.54 2k1q s ALA 156 Ca -0.07 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.10 2k1q s ALA 156 Cb 0.02 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2k1q s ALA 156 CO 0.09 -0.76 -0.01 0.00 0.00 0.00 0.00 175.76 175.08 2k1q s ALA 157 N -3.80 3.22 -0.26 0.00 0.00 -1.26 -1.67 121.76 117.99 2k1q s ALA 157 Ca 0.04 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 2k1q s ALA 157 Cb -0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2k1q s ALA 157 CO -0.09 0.61 0.05 0.08 0.00 0.00 0.00 175.76 176.41 2k1q s VAL 158 N -1.45 3.97 0.23 0.00 1.01 0.18 -4.99 120.40 119.35 2k1q s VAL 158 Ca 0.26 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2k1q s VAL 158 Cb -0.11 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2k1q s VAL 158 CO 0.18 0.26 0.03 0.00 0.00 0.00 0.00 175.10 175.57 2k1q n THR 160 N -0.40 0.35 -1.16 0.00 -1.04 -1.22 -4.81 114.28 105.99 2k1q n THR 160 Ca -0.04 0.11 -0.12 0.00 -2.04 0.00 0.00 64.05 61.97 2k1q n THR 160 Cb 0.65 -1.18 0.25 0.00 -1.82 0.00 0.00 70.33 68.22 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 -3.11 2.96 -0.02 -2.82 5.12 -1.26 -4.83 116.66 112.69 2k1q n ARG 161 Ca 0.00 -3.07 0.00 0.00 -1.93 0.00 0.00 57.85 52.85 2k1q n ARG 161 Cb 0.19 -2.15 0.00 0.00 -1.16 0.00 0.00 32.46 29.34 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 -0.64 0.42 3.21 -0.13 0.00 -1.26 -5.06 105.19 101.72 2k1q n GLY 162 Ca 0.46 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.16 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 2.06 -0.13 1.61 1.01 -1.26 -2.94 120.40 118.69 2k1q s VAL 163 Ca 0.00 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 2k1q s VAL 163 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2k1q s VAL 163 CO 0.00 0.56 0.62 0.00 0.00 0.00 0.00 175.10 176.28 2k1q s ALA 164 N 0.46 3.45 -0.05 5.51 0.00 -0.63 -3.45 121.76 127.05 2k1q s ALA 164 Ca -0.16 -0.10 0.19 0.00 0.00 0.00 0.00 51.96 51.89 2k1q s ALA 164 Cb -0.17 -2.89 -0.29 0.00 0.00 0.00 0.00 23.12 19.77 2k1q s ALA 164 CO 0.06 -0.26 0.42 1.63 0.00 0.00 0.00 175.76 177.62 2k1q n LYS 165 N 4.26 0.58 -4.00 0.00 5.02 -0.89 -3.74 118.16 119.38 2k1q n LYS 165 Ca -0.03 -0.17 -0.08 0.00 -2.02 0.00 0.00 58.31 56.02 2k1q n LYS 165 Cb 0.51 -1.44 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 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 -3.29 0.24 0.34 7.82 0.00 -1.24 0.12 121.76 125.75 2k1q s ALA 166 Ca -0.06 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2k1q s ALA 166 Cb 0.12 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 2k1q s ALA 166 CO 0.78 -0.44 0.12 0.14 0.00 0.00 0.00 175.76 176.35 2k1q s VAL 167 N -3.91 0.66 -0.03 0.00 -7.23 -0.87 -0.65 120.40 108.37 2k1q s VAL 167 Ca 0.08 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.27 2k1q s VAL 167 Cb 0.07 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.48 2k1q s VAL 167 CO -0.09 0.00 -0.06 -0.62 -0.31 0.00 0.00 175.10 174.02 2k1q s ASP 168 N -3.47 1.00 0.07 4.85 -1.08 -0.67 -1.97 116.67 115.39 2k1q s ASP 168 Ca 0.32 -0.15 0.01 0.00 -0.52 0.00 0.00 52.55 52.22 2k1q s ASP 168 Cb 0.05 -0.38 -0.03 0.00 -1.46 0.00 0.00 42.92 41.10 2k1q s ASP 168 CO 0.15 -0.00 -0.06 0.72 0.52 0.00 0.00 175.17 176.50 2k1q s PHE 169 N 0.55 0.73 -0.24 -5.34 -0.12 -0.83 -0.84 117.98 111.89 2k1q s PHE 169 Ca -0.08 -0.77 -0.12 0.00 -0.05 0.00 0.00 56.93 55.91 2k1q s PHE 169 Cb -0.11 -0.44 -0.05 0.00 -0.63 0.00 0.00 43.02 41.79 2k1q s PHE 169 CO 0.00 -0.16 0.23 0.08 -0.05 0.00 0.00 175.22 175.33 2k1q s VAL 170 N -2.78 5.30 0.69 -2.49 1.01 -0.96 -4.33 120.40 116.84 2k1q s VAL 170 Ca 0.02 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 2k1q s VAL 170 Cb -0.00 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.83 2k1q s VAL 170 CO -0.03 0.29 1.21 -2.16 0.00 0.00 0.00 175.10 174.40 2k1q s PRO 171 N 1.36 2.39 0.64 2.72 0.04 -1.26 -2.25 135.00 138.65 2k1q s PRO 171 Ca 0.10 1.77 0.35 0.00 0.04 0.00 0.00 61.00 63.26 2k1q s PRO 171 Cb -0.14 -1.86 1.95 0.00 0.04 0.00 0.00 34.50 34.49 2k1q s PRO 171 CO 0.07 -1.64 2.16 0.28 0.04 0.00 0.00 177.00 177.90 2k1q h VAL 172 N 0.04 0.15 -0.79 -0.36 2.07 -1.61 -2.04 116.25 113.71 2k1q h VAL 172 Ca -0.48 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.10 2k1q h VAL 172 Cb 1.30 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 2k1q h VAL 172 CO 0.51 0.00 0.52 -0.08 0.02 0.00 0.00 177.57 178.54 2k1q h GLU 173 N 0.00 0.82 -0.49 1.57 4.81 -1.89 -1.40 114.58 118.01 2k1q h GLU 173 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k1q h GLU 173 Cb 0.34 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2k1q h GLU 173 CO -0.00 0.54 0.32 1.03 -0.73 0.00 0.00 179.01 180.17 2k1q h SER 174 N 0.85 0.56 -1.01 1.04 0.87 -1.72 -2.24 113.55 111.90 2k1q h SER 174 Ca 0.34 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.90 2k1q h SER 174 Cb 0.26 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 2k1q h SER 174 CO -0.12 0.41 0.67 0.24 -0.53 0.00 0.00 176.83 177.50 2k1q h MET 175 N 0.66 1.33 -0.99 2.24 2.86 -1.42 -2.23 114.93 117.38 2k1q h MET 175 Ca 0.18 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2k1q h MET 175 Cb -0.07 -0.30 -0.05 0.00 0.06 0.00 0.00 31.60 31.24 2k1q h MET 175 CO -0.04 0.88 0.63 1.49 1.06 0.00 0.00 176.91 180.93 2k1q h GLU 176 N 1.37 1.31 -0.60 1.72 4.81 -1.44 -2.36 114.58 119.39 2k1q h GLU 176 Ca 0.37 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 2k1q h GLU 176 Cb -0.16 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 28.92 2k1q h GLU 176 CO -0.08 0.89 -0.02 1.15 -0.73 0.00 0.00 179.01 180.22 2k1q h THR 177 N 1.35 1.27 -0.31 0.32 2.02 -1.40 -2.02 112.91 114.13 2k1q h THR 177 Ca 0.36 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 2k1q h THR 177 Cb -0.12 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2k1q h THR 177 CO -0.07 0.43 0.19 0.74 0.37 0.00 0.00 175.52 177.18 2k1q h THR 178 N 0.98 1.10 -0.70 3.16 2.02 -0.98 0.20 112.91 118.69 2k1q h THR 178 Ca 0.17 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 2k1q h THR 178 Cb 0.59 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2k1q h THR 178 CO 0.03 0.10 0.15 0.24 0.37 0.00 0.00 175.52 176.41 2k1q h MET 179 N 0.41 1.14 -0.41 6.66 2.07 -1.35 -2.57 114.93 120.87 2k1q h MET 179 Ca 0.11 -0.28 -0.15 0.00 -2.07 0.00 0.00 59.70 57.30 2k1q h MET 179 Cb -0.01 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 29.57 2k1q h MET 179 CO -0.02 1.01 -0.34 0.00 1.07 0.00 0.00 176.91 178.63 2k1q h ARG 180 N 1.07 0.96 -1.00 1.72 3.08 -1.04 -3.10 114.38 116.06 2k1q h ARG 180 Ca 0.22 -0.48 0.01 0.00 0.07 0.00 0.00 59.98 59.80 2k1q h ARG 180 Cb 0.40 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 2k1q h ARG 180 CO 0.01 1.14 0.66 0.00 -1.07 0.00 0.00 179.97 180.71 2k1q h ALA 181 N 0.80 1.27 -3.25 0.04 0.00 -0.44 -3.33 119.26 114.35 2k1q h ALA 181 Ca 0.07 -0.07 -0.65 0.00 0.00 0.00 0.00 54.91 54.27 2k1q h ALA 181 Cb 0.94 -0.41 -0.40 0.00 0.00 0.00 0.00 17.79 17.92 2k1q h ALA 181 CO 0.09 0.66 -0.54 0.45 0.00 0.00 0.00 179.25 179.91 2k1q s SER 182 N -6.11 4.68 0.25 0.00 0.15 -0.99 -4.94 113.70 106.75 2k1q s SER 182 Ca -0.13 -3.22 -0.06 0.00 0.70 0.00 0.00 55.95 53.24 2k1q s SER 182 Cb 0.18 -1.69 0.25 0.00 -1.71 0.00 0.00 66.02 63.05 2k1q s SER 182 CO 0.82 -0.22 1.92 0.50 1.20 0.00 0.00 173.24 177.46 2k1q h LYS 183 N 6.31 1.32 -5.23 5.44 3.64 -1.67 -3.41 116.57 122.96 2k1q h LYS 183 Ca -0.00 -0.09 -0.66 0.00 -1.27 0.00 0.00 60.65 58.63 2k1q h LYS 183 Cb 0.87 -0.29 -0.33 0.00 -0.41 0.00 0.00 32.23 32.06 2k1q h LYS 183 CO 0.71 0.88 -0.87 0.21 -2.27 0.00 0.00 179.45 178.11 2k1q s LYS 184 N -6.09 2.85 -0.09 1.90 2.20 -1.26 -5.08 119.74 114.17 2k1q s LYS 184 Ca -0.13 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 54.70 2k1q s LYS 184 Cb 0.18 -2.17 0.00 0.00 -1.51 0.00 0.00 37.83 34.34 2k1q s LYS 184 CO 0.82 0.16 -0.20 0.21 -0.36 0.00 0.00 175.35 175.98 2k1q s LYS 185 N 0.38 2.60 0.00 4.03 2.47 -1.26 -5.21 119.74 122.76 2k1q s LYS 185 Ca -0.18 -0.72 0.00 0.00 -1.56 0.00 0.00 55.97 53.50 2k1q s LYS 185 Cb -0.18 -2.00 0.00 0.00 -1.46 0.00 0.00 37.83 34.19 2k1q s LYS 185 CO 0.08 0.13 0.19 1.63 0.16 0.00 0.00 175.35 177.54