#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 -1.28 5.20 3.38 0.00 -1.26 -5.03 105.19 106.20 2k1q n GLY 23 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2k1q n GLY 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k1q n ARG 24 N 0.00 0.00 -0.64 1.61 0.63 -1.26 -0.99 116.66 116.01 2k1q n ARG 24 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.94 2k1q n ARG 24 Cb 0.00 0.00 0.23 0.00 0.45 0.00 0.00 32.46 33.14 2k1q n ARG 24 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2k1q n ASP 25 N 2.10 3.19 -4.62 6.15 5.75 -1.26 -4.97 116.55 122.88 2k1q n ASP 25 Ca 0.00 -3.40 -0.40 0.00 -0.01 0.00 0.00 54.79 50.98 2k1q n ASP 25 Cb 0.00 -0.60 -0.07 0.00 -1.03 0.00 0.00 41.12 39.42 2k1q n ASP 25 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2k1q s LYS 26 N -3.05 4.07 -0.39 0.11 2.20 -0.16 -5.00 119.74 117.52 2k1q s LYS 26 Ca 0.44 0.36 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 2k1q s LYS 26 Cb 0.38 -3.65 0.16 0.00 -1.51 0.00 0.00 37.83 33.21 2k1q s LYS 26 CO 0.05 -0.36 0.43 1.21 -0.36 0.00 0.00 175.35 176.31 2k1q s ASN 27 N 1.53 0.71 0.16 1.43 3.84 -1.26 -4.98 114.94 116.37 2k1q s ASN 27 Ca 0.22 -1.62 -0.10 0.00 0.21 0.00 0.00 52.86 51.57 2k1q s ASN 27 Cb -0.16 0.73 -0.01 0.00 -0.55 0.00 0.00 41.25 41.27 2k1q s ASN 27 CO 0.09 -0.23 1.53 1.56 -2.79 0.00 0.00 177.10 177.26 2k1q h GLN 28 N 6.81 0.99 -3.18 0.43 4.20 -2.02 -3.45 115.11 118.89 2k1q h GLN 28 Ca 0.07 -0.45 -0.13 0.00 0.06 0.00 0.00 58.65 58.20 2k1q h GLN 28 Cb 1.06 -0.02 -0.21 0.00 0.30 0.00 0.00 27.48 28.61 2k1q h GLN 28 CO 0.19 1.12 -0.36 0.54 -0.67 0.00 0.00 178.83 179.65 2k1q s VAL 29 N -4.60 0.06 0.13 -0.54 0.11 -1.26 -5.17 120.40 109.12 2k1q s VAL 29 Ca -0.11 -0.46 -0.17 0.00 -2.93 0.00 0.00 61.98 58.31 2k1q s VAL 29 Cb 0.12 -0.53 0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2k1q s VAL 29 CO 0.88 -0.25 0.43 -1.83 -3.33 0.00 0.00 175.10 170.99 2k1q s GLU 30 N -1.11 1.10 0.00 1.54 -1.05 -1.26 -4.90 118.70 113.02 2k1q s GLU 30 Ca -0.12 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 2k1q s GLU 30 Cb -0.05 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 2k1q s GLU 30 CO 0.03 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.21 2k1q n GLY 31 N -0.24 3.90 0.32 -3.83 0.00 -1.26 -4.99 105.19 99.09 2k1q n GLY 31 Ca -0.16 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 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 0.95 -5.19 1.61 5.08 -1.95 -3.40 114.58 111.68 2k1q h GLU 32 Ca 0.00 -0.15 -0.62 0.00 -1.00 0.00 0.00 59.36 57.59 2k1q h GLU 32 Cb 0.00 -0.17 -0.16 0.00 0.50 0.00 0.00 28.75 28.92 2k1q h GLU 32 CO 0.00 0.77 -0.55 0.08 -1.00 0.00 0.00 179.01 178.30 2k1q s VAL 33 N -5.47 4.90 0.19 3.13 1.01 -1.26 -3.10 120.40 119.81 2k1q s VAL 33 Ca -0.11 0.01 0.09 0.00 0.00 0.00 0.00 61.98 61.98 2k1q s VAL 33 Cb 0.16 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2k1q s VAL 33 CO 0.80 0.42 -0.19 -1.10 0.00 0.00 0.00 175.10 175.03 2k1q s GLN 34 N 0.69 1.37 -0.27 2.72 -0.21 -1.21 -5.05 119.66 117.70 2k1q s GLN 34 Ca 0.05 -1.50 -0.21 0.00 0.02 0.00 0.00 55.36 53.71 2k1q s GLN 34 Cb -0.13 -1.42 -0.01 0.00 1.00 0.00 0.00 33.01 32.45 2k1q s GLN 34 CO 0.02 0.28 0.66 0.08 -2.12 0.00 0.00 175.29 174.21 2k1q s VAL 35 N -2.22 4.94 -0.00 1.09 1.01 -1.26 -2.78 120.40 121.18 2k1q s VAL 35 Ca 0.19 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.30 2k1q s VAL 35 Cb -0.05 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2k1q s VAL 35 CO 0.08 -0.05 -0.03 -0.69 0.00 0.00 0.00 175.10 174.41 2k1q s VAL 36 N 2.60 3.93 0.14 2.92 1.01 -0.94 -4.19 120.40 125.88 2k1q s VAL 36 Ca 0.27 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 2k1q s VAL 36 Cb -0.15 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 2k1q s VAL 36 CO 0.10 0.39 0.19 -0.44 0.00 0.00 0.00 175.10 175.33 2k1q s SER 37 N -1.49 0.15 0.33 3.32 0.01 -0.26 -2.17 113.70 113.60 2k1q s SER 37 Ca 0.18 -0.97 0.06 0.00 1.31 0.00 0.00 55.95 56.53 2k1q s SER 37 Cb -0.11 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.47 2k1q s SER 37 CO 0.09 -0.81 0.31 0.35 0.41 0.00 0.00 173.24 173.59 2k1q n THR 38 N -0.15 0.00 0.99 1.44 -2.24 -0.97 -0.25 114.28 113.11 2k1q n THR 38 Ca -0.08 -2.28 0.11 0.00 -2.27 0.00 0.00 64.05 59.53 2k1q n THR 38 Cb 0.63 1.18 0.54 0.00 -2.10 0.00 0.00 70.33 70.58 2k1q n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q n ALA 39 N -0.74 2.12 -0.07 6.98 0.00 -1.26 -4.03 120.51 123.51 2k1q n ALA 39 Ca -0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 2k1q n ALA 39 Cb 0.59 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 2k1q n ALA 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k1q n THR 40 N -1.33 1.35 -4.13 0.00 -1.04 -1.26 -5.09 114.28 102.78 2k1q n THR 40 Ca 0.10 0.08 -0.11 0.00 -2.04 0.00 0.00 64.05 62.07 2k1q n THR 40 Cb 0.19 -2.05 -0.09 0.00 -1.82 0.00 0.00 70.33 66.56 2k1q n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1q s GLN 41 N -2.59 1.24 0.10 -2.82 -2.07 -1.26 -5.17 119.66 107.08 2k1q s GLN 41 Ca -0.23 -1.49 0.09 0.00 -1.82 0.00 0.00 55.36 51.91 2k1q s GLN 41 Cb 0.05 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 2k1q s GLN 41 CO 0.33 -0.43 -0.20 -1.12 -1.32 0.00 0.00 175.29 172.55 2k1q s SER 42 N -3.10 3.75 0.26 12.60 0.01 -1.26 -2.28 113.70 123.68 2k1q s SER 42 Ca 0.32 -0.55 -0.14 0.00 1.31 0.00 0.00 55.95 56.89 2k1q s SER 42 Cb 0.05 -0.51 0.05 0.00 0.21 0.00 0.00 66.02 65.83 2k1q s SER 42 CO 0.09 0.20 0.72 2.22 0.41 0.00 0.00 173.24 176.88 2k1q n PHE 43 N 1.05 -1.79 -4.30 2.43 -1.74 -0.92 -4.58 117.46 107.62 2k1q n PHE 43 Ca -0.16 -1.34 -0.30 0.00 -0.56 0.00 0.00 57.45 55.09 2k1q n PHE 43 Cb 0.53 0.67 -0.10 0.00 1.52 0.00 0.00 39.48 42.09 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 3.00 0.20 5.98 1.43 -1.10 -2.20 118.68 125.98 2k1q s LEU 44 Ca 0.15 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 52.96 2k1q s LEU 44 Cb -0.03 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2k1q s LEU 44 CO 0.08 0.20 -0.15 0.00 0.23 0.00 0.00 176.35 176.71 2k1q s ALA 45 N -1.16 2.03 -0.03 4.21 0.00 -1.12 -3.09 121.76 122.61 2k1q s ALA 45 Ca 0.20 -1.66 0.07 0.00 0.00 0.00 0.00 51.96 50.58 2k1q s ALA 45 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2k1q s ALA 45 CO 0.12 0.08 -0.26 0.99 0.00 0.00 0.00 175.76 176.70 2k1q s THR 46 N -2.91 2.06 -0.42 0.00 2.01 -1.15 -3.32 115.64 111.92 2k1q s THR 46 Ca 0.22 -1.09 -0.20 0.00 0.31 0.00 0.00 61.69 60.93 2k1q s THR 46 Cb -0.01 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.80 2k1q s THR 46 CO 0.07 0.58 0.58 0.00 -0.69 0.00 0.00 174.62 175.16 2k1q s VAL 48 N 2.60 2.06 -1.46 0.00 1.01 0.04 -1.38 120.40 123.28 2k1q s VAL 48 Ca 0.20 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 2k1q s VAL 48 Cb -0.15 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.48 2k1q s VAL 48 CO 0.17 0.56 0.61 -3.20 0.00 0.00 0.00 175.10 173.23 2k1q n ASN 49 N 3.52 -5.29 -0.80 3.32 2.85 -1.26 -0.66 115.26 116.93 2k1q n ASN 49 Ca -0.19 -0.35 -0.10 0.00 -0.11 0.00 0.00 54.58 53.83 2k1q n ASN 49 Cb 0.53 -4.29 -0.04 0.00 1.24 0.00 0.00 39.78 37.21 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 -1.44 1.19 2.99 8.20 0.00 -1.26 -5.00 105.19 109.87 2k1q n GLY 50 Ca -0.07 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 0.99 0.04 1.61 1.01 0.16 -3.06 120.40 118.77 2k1q s VAL 51 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 2k1q s VAL 51 Cb 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 2k1q s VAL 51 CO 0.00 0.32 1.13 0.00 0.00 0.00 0.00 175.10 176.55 2k1q s TRP 53 N 1.06 1.63 0.35 0.00 0.52 -0.32 -2.94 118.94 119.25 2k1q s TRP 53 Ca 0.57 -0.41 -0.15 0.00 0.02 0.00 0.00 56.10 56.12 2k1q s TRP 53 Cb -0.27 -1.08 0.06 0.00 -1.15 0.00 0.00 33.47 31.03 2k1q s TRP 53 CO 0.29 -0.11 0.80 -2.37 0.02 0.00 0.00 176.95 175.58 2k1q n THR 54 N 2.96 0.00 -2.41 2.01 5.66 -1.08 -2.93 114.28 118.48 2k1q n THR 54 Ca -0.17 -0.90 -0.32 0.00 -3.05 0.00 0.00 64.05 59.62 2k1q n THR 54 Cb 0.53 0.93 -0.03 0.00 -1.55 0.00 0.00 70.33 70.22 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 4.60 0.13 1.08 0.11 -1.26 -2.53 120.40 120.42 2k1q s VAL 55 Ca 0.16 1.06 -0.11 0.00 -2.93 0.00 0.00 61.98 60.16 2k1q s VAL 55 Cb -0.04 -3.74 -0.08 0.00 -1.53 0.00 0.00 36.38 30.98 2k1q s VAL 55 CO 0.11 -0.72 1.42 0.22 -3.33 0.00 0.00 175.10 172.79 2k1q h TYR 56 N 0.81 1.11 0.00 1.54 5.03 -1.29 -3.07 116.97 121.11 2k1q h TYR 56 Ca -0.46 -0.39 -0.02 0.00 2.58 0.00 0.00 58.73 60.44 2k1q h TYR 56 Cb 1.19 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 39.25 2k1q h TYR 56 CO 0.63 1.22 -0.08 1.12 -1.32 0.00 0.00 178.16 179.73 2k1q h HIS 57 N 0.69 0.00 0.03 -3.82 2.07 -1.94 0.86 115.15 113.03 2k1q h HIS 57 Ca 0.02 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2k1q h HIS 57 Cb 1.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.11 2k1q h HIS 57 CO 0.07 0.08 -0.01 0.78 -3.07 0.00 0.00 177.93 175.78 2k1q h GLY 58 N 0.63 -0.04 0.00 6.13 0.00 -1.94 -3.43 103.07 104.42 2k1q h GLY 58 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2k1q h GLY 58 CO 0.01 -0.01 -0.63 0.00 0.00 0.00 0.00 176.54 175.90 2k1q n ALA 59 N -2.55 1.75 0.00 3.60 0.00 -1.09 -4.70 120.51 117.52 2k1q n ALA 59 Ca -0.09 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2k1q n ALA 59 Cb 0.35 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2k1q n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1q n GLY 60 N 2.28 -2.25 2.66 0.00 0.00 0.30 -4.31 105.19 103.86 2k1q n GLY 60 Ca -0.09 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 2k1q n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1q n SER 61 N -0.29 4.76 -3.44 1.61 2.88 -1.26 -4.86 113.62 113.02 2k1q n SER 61 Ca 0.00 -2.79 -0.17 0.00 -1.33 0.00 0.00 58.87 54.58 2k1q n SER 61 Cb 0.00 -1.63 -0.07 0.00 -0.75 0.00 0.00 64.21 61.76 2k1q n SER 61 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2k1q s LYS 62 N 3.04 1.73 0.34 -1.46 1.02 -1.26 -5.13 119.74 118.02 2k1q s LYS 62 Ca 0.51 -1.88 -0.29 0.00 0.02 0.00 0.00 55.97 54.33 2k1q s LYS 62 Cb 0.15 0.35 -0.10 0.00 -0.52 0.00 0.00 37.83 37.71 2k1q s LYS 62 CO -0.08 -0.66 1.36 0.99 -0.92 0.00 0.00 175.35 176.04 2k1q s THR 63 N -3.43 2.53 -0.09 2.17 2.01 -1.26 -4.81 115.64 112.76 2k1q s THR 63 Ca 0.37 0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.92 2k1q s THR 63 Cb 0.02 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2k1q s THR 63 CO 0.23 0.13 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.98 2k1q s LEU 64 N -1.86 3.00 -0.39 4.42 2.96 -1.23 -4.81 118.68 120.77 2k1q s LEU 64 Ca 0.50 -0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 54.15 2k1q s LEU 64 Cb -0.42 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 44.64 2k1q s LEU 64 CO 0.56 0.29 0.25 0.00 -1.32 0.00 0.00 176.35 176.13 2k1q s ALA 65 N -0.40 3.37 0.56 5.97 0.00 0.65 -1.54 121.76 130.39 2k1q s ALA 65 Ca 0.05 -1.73 0.05 0.00 0.00 0.00 0.00 51.96 50.33 2k1q s ALA 65 Cb -0.12 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.30 2k1q s ALA 65 CO 0.02 -1.43 0.39 0.20 0.00 0.00 0.00 175.76 174.94 2k1q s GLY 66 N 1.62 2.45 0.37 0.00 0.00 -0.20 -1.10 107.32 110.46 2k1q s GLY 66 Ca 0.03 -1.06 0.09 0.00 0.00 0.00 0.00 44.72 43.78 2k1q s GLY 66 CO 0.08 -1.98 1.88 -0.56 0.00 0.00 0.00 173.10 172.52 2k1q h PRO 67 N 0.72 0.27 -0.00 2.90 0.13 -1.98 -2.55 132.00 131.49 2k1q h PRO 67 Ca -0.36 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 2k1q h PRO 67 Cb 1.31 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2k1q h PRO 67 CO 0.57 0.43 -0.82 -0.22 -0.23 0.00 0.00 178.00 177.73 2k1q h LYS 68 N 0.25 0.08 0.00 0.86 3.64 -1.96 -3.50 116.57 115.96 2k1q h LYS 68 Ca 0.05 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2k1q h LYS 68 Cb 0.43 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2k1q h LYS 68 CO 0.03 0.85 0.00 0.41 -2.27 0.00 0.00 179.45 178.47 2k1q n GLY 69 N 0.78 0.44 3.77 5.01 0.00 -0.96 -5.09 105.19 109.14 2k1q n GLY 69 Ca -0.02 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 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 4.11 -0.07 1.61 0.04 -1.26 -1.03 135.00 136.39 2k1q s PRO 70 Ca 0.00 1.80 0.03 0.00 0.04 0.00 0.00 61.00 62.87 2k1q s PRO 70 Cb 0.00 -2.69 0.01 0.00 0.04 0.00 0.00 34.50 31.86 2k1q s PRO 70 CO 0.00 -0.26 -0.15 0.42 0.04 0.00 0.00 177.00 177.04 2k1q s ILE 71 N -1.43 1.36 0.45 0.56 -1.09 -0.59 -4.91 121.20 115.57 2k1q s ILE 71 Ca 0.56 -0.61 -0.21 0.00 -2.23 0.00 0.00 60.65 58.16 2k1q s ILE 71 Cb -0.30 -1.22 -0.10 0.00 -1.58 0.00 0.00 42.46 39.26 2k1q s ILE 71 CO 0.37 0.41 0.99 0.42 -1.23 0.00 0.00 174.94 175.90 2k1q s THR 72 N 0.58 4.10 -0.11 2.92 -4.23 -1.26 -3.52 115.64 114.11 2k1q s THR 72 Ca -0.16 1.33 -0.06 0.00 -1.18 0.00 0.00 61.69 61.62 2k1q s THR 72 Cb -0.16 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 2k1q s THR 72 CO 0.05 -0.26 0.14 0.00 -0.54 0.00 0.00 174.62 174.00 2k1q s GLN 73 N -3.16 3.41 -0.04 3.99 -2.07 -1.26 -3.02 119.66 117.51 2k1q s GLN 73 Ca 0.64 -0.16 0.07 0.00 -1.82 0.00 0.00 55.36 54.08 2k1q s GLN 73 Cb -0.13 -3.16 -0.10 0.00 -1.09 0.00 0.00 33.01 28.54 2k1q s GLN 73 CO 0.17 0.77 0.09 -1.33 -1.32 0.00 0.00 175.29 173.66 2k1q n MET 74 N 1.91 1.56 -5.31 9.60 2.81 -0.77 -4.88 117.12 122.04 2k1q n MET 74 Ca -0.19 -0.03 -0.31 0.00 -1.81 0.00 0.00 57.70 55.35 2k1q n MET 74 Cb 0.55 -1.17 -0.16 0.00 -0.71 0.00 0.00 33.22 31.73 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 -2.33 2.33 -0.14 2.03 2.02 -1.04 -4.99 117.35 115.22 2k1q s TYR 75 Ca -0.03 -0.44 -0.07 0.00 -0.37 0.00 0.00 57.07 56.16 2k1q s TYR 75 Cb 0.03 -1.50 0.05 0.00 -0.40 0.00 0.00 41.96 40.15 2k1q s TYR 75 CO 0.29 -0.04 0.34 0.99 -1.57 0.00 0.00 175.55 175.56 2k1q s THR 76 N -0.61 -0.03 -0.31 -0.71 2.01 -1.26 -2.27 115.64 112.46 2k1q s THR 76 Ca 0.10 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.23 2k1q s THR 76 Cb -0.10 -0.51 0.15 0.00 0.01 0.00 0.00 72.50 72.06 2k1q s THR 76 CO -0.01 0.05 0.37 0.21 -0.69 0.00 0.00 174.62 174.55 2k1q s ASN 77 N 1.34 0.93 0.13 3.53 3.84 -0.22 -5.00 114.94 119.49 2k1q s ASN 77 Ca -0.09 -0.74 -0.12 0.00 0.21 0.00 0.00 52.86 52.12 2k1q s ASN 77 Cb -0.09 0.82 -0.06 0.00 -0.55 0.00 0.00 41.25 41.37 2k1q s ASN 77 CO -0.11 -0.35 1.45 0.58 -2.79 0.00 0.00 177.10 175.89 2k1q h VAL 78 N 5.98 1.28 -0.53 -5.21 2.07 -1.96 0.69 116.25 118.56 2k1q h VAL 78 Ca -0.07 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 65.88 2k1q h VAL 78 Cb 1.09 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 2k1q h VAL 78 CO 0.27 0.52 0.35 -0.78 0.02 0.00 0.00 177.57 177.95 2k1q h ASP 79 N 0.70 0.60 -0.02 0.57 1.82 -1.96 -2.18 116.42 115.96 2k1q h ASP 79 Ca 0.05 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2k1q h ASP 79 Cb 0.99 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.85 2k1q h ASP 79 CO 0.10 0.44 0.00 1.67 -1.61 0.00 0.00 179.24 179.83 2k1q n GLN 80 N -4.72 1.67 -3.81 0.28 7.27 -1.20 -4.95 117.38 111.92 2k1q n GLN 80 Ca 0.03 -0.97 -0.26 0.00 0.07 0.00 0.00 57.00 55.88 2k1q n GLN 80 Cb 0.02 -1.48 0.03 0.00 2.41 0.00 0.00 30.24 31.22 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2k1q n ASP 81 N 0.18 -2.95 -4.03 1.69 2.03 0.13 -4.90 116.55 108.70 2k1q n ASP 81 Ca 0.19 -0.80 -0.16 0.00 0.52 0.00 0.00 54.79 54.54 2k1q n ASP 81 Cb 0.35 -3.96 -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 -6.99 2.10 0.08 -2.67 1.43 -0.59 -0.90 118.68 111.14 2k1q s LEU 82 Ca 0.33 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 2k1q s LEU 82 Cb -0.16 -0.33 0.02 0.00 0.03 0.00 0.00 46.19 45.74 2k1q s LEU 82 CO 0.82 -0.00 0.30 0.54 0.23 0.00 0.00 176.35 178.24 2k1q s VAL 83 N -0.59 0.10 0.12 -1.59 0.11 -1.05 -1.06 120.40 116.44 2k1q s VAL 83 Ca -0.01 -0.79 -0.15 0.00 -2.93 0.00 0.00 61.98 58.10 2k1q s VAL 83 Cb -0.05 -1.11 0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2k1q s VAL 83 CO 0.00 -0.44 0.37 -0.83 -3.33 0.00 0.00 175.10 170.88 2k1q s GLY 84 N -2.47 -0.22 0.14 6.54 0.00 -0.96 -2.64 107.32 107.70 2k1q s GLY 84 Ca -0.00 -0.13 0.07 0.00 0.00 0.00 0.00 44.72 44.66 2k1q s GLY 84 CO -0.08 -0.38 -0.16 -0.98 0.00 0.00 0.00 173.10 171.51 2k1q s TRP 85 N -3.81 1.56 -0.09 1.90 0.51 -1.15 -1.85 118.94 116.00 2k1q s TRP 85 Ca 0.03 -0.52 -0.29 0.00 -2.12 0.00 0.00 56.10 53.20 2k1q s TRP 85 Cb 0.02 -0.80 -0.06 0.00 -0.81 0.00 0.00 33.47 31.82 2k1q s TRP 85 CO -0.12 0.21 1.89 -1.14 -0.51 0.00 0.00 176.95 177.28 2k1q s GLN 86 N -2.68 3.85 0.16 4.98 0.74 -1.17 -2.77 119.66 122.78 2k1q s GLN 86 Ca 0.11 2.20 -0.30 0.00 0.05 0.00 0.00 55.36 57.43 2k1q s GLN 86 Cb -0.05 -4.15 -0.07 0.00 1.10 0.00 0.00 33.01 29.84 2k1q s GLN 86 CO 0.04 -1.26 1.04 0.00 -0.55 0.00 0.00 175.29 174.56 2k1q s ALA 87 N 5.38 3.32 0.77 1.58 0.00 -1.17 -4.86 121.76 126.78 2k1q s ALA 87 Ca 0.85 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 2k1q s ALA 87 Cb -0.35 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.51 2k1q s ALA 87 CO 0.35 -0.11 1.09 -1.25 0.00 0.00 0.00 175.76 175.84 2k1q s PRO 88 N -0.27 2.28 0.64 0.00 0.04 -1.26 -4.94 135.00 131.49 2k1q s PRO 88 Ca 0.48 1.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.54 2k1q s PRO 88 Cb -0.27 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 2k1q s PRO 88 CO 0.33 -1.63 1.07 -1.25 0.04 0.00 0.00 177.00 175.56 2k1q s PRO 89 N -4.91 3.06 0.00 0.56 0.04 -1.26 -3.61 135.00 128.88 2k1q s PRO 89 Ca 0.61 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2k1q s PRO 89 Cb -0.17 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2k1q s PRO 89 CO 0.56 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.99 2k1q n GLY 90 N -1.19 3.34 3.87 0.56 0.00 -1.26 -5.05 105.19 105.46 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 -2.75 3.10 0.41 4.61 0.00 -1.24 -4.90 121.76 120.98 2k1q s ALA 91 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.91 2k1q s ALA 91 Cb 0.00 -3.08 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 2k1q s ALA 91 CO 0.00 -0.69 0.59 1.03 0.00 0.00 0.00 175.76 176.68 2k1q s ARG 92 N -5.18 3.04 0.27 0.00 0.52 -1.26 -5.02 118.95 111.32 2k1q s ARG 92 Ca 0.55 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 55.01 2k1q s ARG 92 Cb -0.11 -2.68 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 2k1q s ARG 92 CO 0.54 -0.16 0.07 -1.54 0.02 0.00 0.00 175.30 174.23 2k1q s SER 93 N -4.22 1.57 -0.04 0.23 1.04 -1.26 -4.62 113.70 106.41 2k1q s SER 93 Ca 0.48 -1.35 0.07 0.00 0.48 0.00 0.00 55.95 55.63 2k1q s SER 93 Cb -0.10 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 2k1q s SER 93 CO 0.35 -0.66 -0.24 -0.76 0.98 0.00 0.00 173.24 172.90 2k1q s LEU 94 N -3.35 2.14 0.69 2.42 1.43 -0.48 -4.91 118.68 116.62 2k1q s LEU 94 Ca 0.36 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 2k1q s LEU 94 Cb 0.08 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.95 2k1q s LEU 94 CO 0.13 0.30 1.04 0.42 0.23 0.00 0.00 176.35 178.46 2k1q s THR 95 N -0.46 3.04 0.75 5.49 -4.23 -1.26 -4.16 115.64 114.81 2k1q s THR 95 Ca 0.05 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.56 2k1q s THR 95 Cb -0.11 -3.29 0.04 0.00 1.34 0.00 0.00 72.50 70.47 2k1q s THR 95 CO 0.01 -0.35 1.12 -2.16 -0.54 0.00 0.00 174.62 172.70 2k1q s PRO 96 N -5.27 2.47 0.25 3.99 0.04 -1.26 -0.51 135.00 134.71 2k1q s PRO 96 Ca 0.58 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 2k1q s PRO 96 Cb -0.11 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2k1q s PRO 96 CO 0.48 -1.29 1.28 0.00 0.04 0.00 0.00 177.00 177.51 2k1q n THR 98 N 1.94 0.76 -0.33 0.00 -2.24 -1.26 -4.84 114.28 108.31 2k1q n THR 98 Ca 0.03 -4.14 0.00 0.00 -2.27 0.00 0.00 64.05 57.67 2k1q n THR 98 Cb 0.43 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.53 3.75 0.00 0.00 -1.26 -4.99 105.19 102.16 2k1q n GLY 100 Ca 0.00 0.24 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.36 5.12 -0.22 1.61 0.01 -1.26 -5.03 113.70 110.57 2k1q s SER 101 Ca 0.56 -0.42 0.15 0.00 1.31 0.00 0.00 55.95 57.54 2k1q s SER 101 Cb -0.25 -1.16 0.58 0.00 0.21 0.00 0.00 66.02 65.41 2k1q s SER 101 CO 0.72 -0.04 1.51 -1.54 0.41 0.00 0.00 173.24 174.30 2k1q n SER 102 N -1.08 4.02 -4.59 2.44 3.41 -1.26 -4.95 113.62 111.61 2k1q n SER 102 Ca -0.07 -3.13 -0.38 0.00 -0.26 0.00 0.00 58.87 55.03 2k1q n SER 102 Cb 0.58 -0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 2k1q n SER 102 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k1q s ASP 103 N -1.79 6.02 -0.04 4.04 1.01 -1.26 0.73 116.67 125.38 2k1q s ASP 103 Ca 0.45 -0.00 0.02 0.00 0.71 0.00 0.00 52.55 53.73 2k1q s ASP 103 Cb 0.37 -2.12 0.01 0.00 1.01 0.00 0.00 42.92 42.19 2k1q s ASP 103 CO 0.09 -0.05 -0.11 -0.76 0.21 0.00 0.00 175.17 174.55 2k1q s LEU 104 N 1.76 1.70 -0.25 1.23 1.43 -0.47 -4.46 118.68 119.62 2k1q s LEU 104 Ca 0.07 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 2k1q s LEU 104 Cb -0.16 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 2k1q s LEU 104 CO 0.11 0.05 0.05 -0.31 0.23 0.00 0.00 176.35 176.48 2k1q s TYR 105 N 0.41 3.07 -0.05 0.29 2.02 -0.93 -0.35 117.35 121.80 2k1q s TYR 105 Ca -0.08 -0.50 -0.28 0.00 -0.37 0.00 0.00 57.07 55.84 2k1q s TYR 105 Cb -0.12 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.19 2k1q s TYR 105 CO 0.02 -0.39 0.91 -1.17 -1.57 0.00 0.00 175.55 173.35 2k1q s LEU 106 N 1.60 4.31 -0.29 -1.29 2.96 0.20 -2.31 118.68 123.86 2k1q s LEU 106 Ca 0.06 1.49 -0.13 0.00 -0.22 0.00 0.00 54.13 55.32 2k1q s LEU 106 Cb -0.15 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 2k1q s LEU 106 CO 0.03 -0.29 0.30 -0.69 -1.32 0.00 0.00 176.35 174.38 2k1q s VAL 107 N 1.30 5.23 0.55 1.68 1.01 -1.22 -3.51 120.40 125.45 2k1q s VAL 107 Ca 0.47 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.78 2k1q s VAL 107 Cb -0.19 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.58 2k1q s VAL 107 CO 0.22 0.12 0.61 0.42 0.00 0.00 0.00 175.10 176.47 2k1q s THR 108 N 1.92 1.99 0.63 3.92 -4.23 -1.20 -4.53 115.64 114.15 2k1q s THR 108 Ca 0.11 -1.22 0.37 0.00 -1.18 0.00 0.00 61.69 59.77 2k1q s THR 108 Cb -0.16 -2.21 0.40 0.00 1.34 0.00 0.00 72.50 71.87 2k1q s THR 108 CO 0.11 0.00 2.32 0.03 -0.54 0.00 0.00 174.62 176.53 2k1q h ARG 109 N 0.46 0.00 -0.74 3.99 3.08 -1.91 -0.97 114.38 118.29 2k1q h ARG 109 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2k1q h ARG 109 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2k1q h ARG 109 CO 0.48 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 180.10 2k1q n HIS 110 N -3.48 1.05 -3.84 3.04 8.25 -1.26 -4.89 115.22 114.08 2k1q n HIS 110 Ca -0.03 -0.37 -0.29 0.00 -0.26 0.00 0.00 57.72 56.77 2k1q n HIS 110 Cb 0.08 -0.29 0.04 0.00 1.12 0.00 0.00 29.99 30.93 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 0.36 -1.28 -2.65 -1.41 0.00 -0.37 -4.95 120.51 110.21 2k1q n ALA 111 Ca 0.15 0.25 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 2k1q n ALA 111 Cb 0.71 -4.77 -0.10 0.00 0.00 0.00 0.00 19.45 15.29 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 -3.30 6.03 0.27 0.00 1.01 -1.26 -4.90 116.67 114.51 2k1q s ASP 112 Ca 0.65 0.05 -0.05 0.00 0.71 0.00 0.00 52.55 53.92 2k1q s ASP 112 Cb -0.32 -2.10 0.33 0.00 1.01 0.00 0.00 42.92 41.84 2k1q s ASP 112 CO 0.81 0.02 1.94 -0.37 0.21 0.00 0.00 175.17 177.78 2k1q h VAL 113 N 5.18 1.24 -5.63 -1.27 -1.51 -1.93 -3.18 116.25 109.15 2k1q h VAL 113 Ca -0.37 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 2k1q h VAL 113 Cb 1.18 -0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 30.17 2k1q h VAL 113 CO 0.61 0.23 -0.98 -0.38 -1.23 0.00 0.00 177.57 175.82 2k1q n ILE 114 N -4.39 -7.75 -2.06 7.19 2.08 -1.23 0.62 119.36 113.82 2k1q n ILE 114 Ca 0.11 1.36 -0.42 0.00 0.56 0.00 0.00 62.75 64.35 2k1q n ILE 114 Cb 0.02 -5.13 -0.03 0.00 -0.75 0.00 0.00 39.64 33.75 2k1q n ILE 114 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2k1q s PRO 115 N -1.12 4.20 -0.07 0.38 0.04 -1.26 -1.21 135.00 135.96 2k1q s PRO 115 Ca -0.04 2.13 0.03 0.00 0.04 0.00 0.00 61.00 63.15 2k1q s PRO 115 Cb 0.00 -3.86 0.01 0.00 0.04 0.00 0.00 34.50 30.70 2k1q s PRO 115 CO 0.45 -0.78 -0.14 0.08 0.04 0.00 0.00 177.00 176.65 2k1q s VAL 116 N 3.57 1.30 -0.03 -0.36 1.01 0.52 -4.30 120.40 122.11 2k1q s VAL 116 Ca 0.70 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 2k1q s VAL 116 Cb -0.33 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2k1q s VAL 116 CO 0.28 0.39 0.68 -0.60 0.00 0.00 0.00 175.10 175.85 2k1q s ARG 117 N 0.61 4.42 0.10 2.72 6.06 -1.11 -1.37 118.95 130.37 2k1q s ARG 117 Ca -0.15 0.87 -0.31 0.00 -2.50 0.00 0.00 55.73 53.64 2k1q s ARG 117 Cb -0.16 -3.41 -0.07 0.00 0.06 0.00 0.00 34.95 31.37 2k1q s ARG 117 CO 0.05 0.18 1.27 0.50 -2.50 0.00 0.00 175.30 174.80 2k1q s ARG 118 N 0.39 4.40 -0.08 5.12 3.52 0.22 -1.15 118.95 131.37 2k1q s ARG 118 Ca 0.36 1.90 0.11 0.00 -0.13 0.00 0.00 55.73 57.97 2k1q s ARG 118 Cb -0.18 -3.30 0.18 0.00 -1.56 0.00 0.00 34.95 30.09 2k1q s ARG 118 CO 0.19 -0.30 1.09 0.54 -0.81 0.00 0.00 175.30 176.00 2k1q n ARG 119 N 3.75 0.74 -3.68 5.12 5.12 -0.56 -4.90 116.66 122.25 2k1q n ARG 119 Ca 0.09 -1.95 0.04 0.00 -1.93 0.00 0.00 57.85 54.11 2k1q n ARG 119 Cb 0.45 -1.07 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 2k1q n ARG 119 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2k1q s GLY 120 N -2.11 -0.43 0.24 -0.13 0.00 -0.61 -4.88 107.32 99.41 2k1q s GLY 120 Ca 0.19 0.75 -0.07 0.00 0.00 0.00 0.00 44.72 45.59 2k1q s GLY 120 CO 0.01 1.81 1.92 -1.80 0.00 0.00 0.00 173.10 175.03 2k1q h ASP 121 N 2.00 1.09 0.00 1.64 1.82 -1.99 -3.26 116.42 117.71 2k1q h ASP 121 Ca -0.30 -0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.20 2k1q h ASP 121 Cb 1.19 -0.27 -0.24 0.00 0.68 0.00 0.00 39.33 40.69 2k1q h ASP 121 CO 0.30 0.79 -0.81 -1.54 -1.61 0.00 0.00 179.24 176.36 2k1q n SER 122 N -4.43 1.19 -3.86 2.28 3.41 -1.26 -4.76 113.62 106.19 2k1q n SER 122 Ca 0.11 -2.60 -0.13 0.00 -0.26 0.00 0.00 58.87 55.99 2k1q n SER 122 Cb 0.01 -0.37 -0.14 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 -1.05 0.01 0.30 4.33 3.52 -1.23 -1.48 118.95 123.35 2k1q s ARG 123 Ca 0.33 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.97 2k1q s ARG 123 Cb 0.35 -0.05 -0.01 0.00 -1.56 0.00 0.00 34.95 33.69 2k1q s ARG 123 CO -0.12 -0.02 0.06 0.41 -0.81 0.00 0.00 175.30 174.81 2k1q n GLY 124 N 3.26 3.62 3.13 8.12 0.00 -1.05 -1.50 105.19 120.76 2k1q n GLY 124 Ca -0.15 -2.16 -0.16 0.00 0.00 0.00 0.00 46.02 43.56 2k1q n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1q s SER 125 N -2.78 1.30 -0.17 1.61 1.04 -0.30 -2.73 113.70 111.67 2k1q s SER 125 Ca 0.09 -0.62 -0.13 0.00 0.48 0.00 0.00 55.95 55.77 2k1q s SER 125 Cb 0.00 -0.00 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 2k1q s SER 125 CO 0.06 -0.16 0.25 -0.76 0.98 0.00 0.00 173.24 173.61 2k1q s LEU 126 N -1.79 4.23 0.17 2.42 1.02 0.21 -2.76 118.68 122.18 2k1q s LEU 126 Ca -0.04 0.43 -0.10 0.00 0.02 0.00 0.00 54.13 54.44 2k1q s LEU 126 Cb -0.09 -2.29 0.02 0.00 0.02 0.00 0.00 46.19 43.85 2k1q s LEU 126 CO 0.01 0.12 1.57 -0.07 0.02 0.00 0.00 176.35 178.01 2k1q h LEU 127 N 6.68 1.04 -8.49 1.79 4.07 -1.86 -3.42 115.31 115.12 2k1q h LEU 127 Ca -0.41 -0.37 -0.66 0.00 0.08 0.00 0.00 57.88 56.52 2k1q h LEU 127 Cb 1.16 -0.29 -0.29 0.00 1.08 0.00 0.00 40.66 42.33 2k1q h LEU 127 CO 0.76 1.17 -0.79 -0.55 -1.08 0.00 0.00 178.44 177.95 2k1q s SER 128 N -6.68 3.81 -0.05 -0.43 0.15 -1.26 -5.08 113.70 104.16 2k1q s SER 128 Ca -0.11 -0.40 -0.30 0.00 0.70 0.00 0.00 55.95 55.83 2k1q s SER 128 Cb 0.13 -1.58 -0.05 0.00 -1.71 0.00 0.00 66.02 62.80 2k1q s SER 128 CO 0.87 0.13 1.61 -2.16 1.20 0.00 0.00 173.24 174.88 2k1q s PRO 129 N 0.57 4.19 0.28 5.44 0.04 -1.26 -4.95 135.00 139.32 2k1q s PRO 129 Ca -0.09 2.14 0.12 0.00 0.04 0.00 0.00 61.00 63.21 2k1q s PRO 129 Cb -0.16 -3.91 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 2k1q s PRO 129 CO 0.03 -0.81 -0.19 1.03 0.04 0.00 0.00 177.00 177.10 2k1q s ARG 130 N 3.78 1.66 0.70 4.56 1.81 -1.22 -4.87 118.95 125.37 2k1q s ARG 130 Ca 0.71 -1.76 -0.15 0.00 -1.72 0.00 0.00 55.73 52.81 2k1q s ARG 130 Cb -0.33 -1.72 0.02 0.00 -0.45 0.00 0.00 34.95 32.47 2k1q s ARG 130 CO 0.28 0.32 1.18 -1.25 -0.68 0.00 0.00 175.30 175.15 2k1q s PRO 131 N -3.52 2.36 0.52 3.54 0.04 -1.26 0.30 135.00 136.98 2k1q s PRO 131 Ca 0.30 1.66 0.29 0.00 0.04 0.00 0.00 61.00 63.28 2k1q s PRO 131 Cb -0.05 -1.87 1.38 0.00 0.04 0.00 0.00 34.50 34.00 2k1q s PRO 131 CO 0.14 -1.64 2.02 -0.39 0.04 0.00 0.00 177.00 177.17 2k1q h VAL 132 N -0.15 0.41 -1.00 -0.36 -1.51 -1.86 -2.90 116.25 108.88 2k1q h VAL 132 Ca -0.47 -0.65 0.01 0.00 -1.23 0.00 0.00 66.70 64.36 2k1q h VAL 132 Cb 1.28 1.46 -0.05 0.00 -2.13 0.00 0.00 31.29 31.85 2k1q h VAL 132 CO 0.51 0.12 0.67 0.28 -1.23 0.00 0.00 177.57 177.91 2k1q h SER 133 N 0.00 1.15 -0.33 4.19 0.02 -1.90 0.14 113.55 116.81 2k1q h SER 133 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2k1q h SER 133 Cb 0.45 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2k1q h SER 133 CO 0.02 0.83 0.22 0.22 -1.14 0.00 0.00 176.83 176.98 2k1q h TYR 134 N 1.36 0.42 0.00 3.45 3.20 -1.89 -1.96 116.97 121.55 2k1q h TYR 134 Ca 0.37 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.15 2k1q h TYR 134 Cb -0.15 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 2k1q h TYR 134 CO -0.00 0.26 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.24 2k1q h LEU 135 N 0.45 0.00 -9.64 2.82 -0.00 -1.56 -3.42 115.31 103.96 2k1q h LEU 135 Ca 0.12 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.48 2k1q h LEU 135 Cb -0.05 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 40.67 2k1q h LEU 135 CO -0.03 0.47 1.03 -0.75 -0.00 0.00 0.00 178.44 179.16 2k1q s LYS 136 N -3.88 4.12 0.00 1.13 2.47 0.43 -1.34 119.74 122.67 2k1q s LYS 136 Ca -0.02 2.62 0.00 0.00 -1.56 0.00 0.00 55.97 57.01 2k1q s LYS 136 Cb 0.13 -3.13 0.00 0.00 -1.46 0.00 0.00 37.83 33.37 2k1q s LYS 136 CO 0.73 -0.77 0.00 0.41 0.16 0.00 0.00 175.35 175.88 2k1q n GLY 137 N 4.02 1.27 1.02 5.54 0.00 -1.26 -4.88 105.19 110.89 2k1q n GLY 137 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2k1q n GLY 137 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k1q n SER 138 N 0.00 3.03 -4.77 1.61 3.41 -0.45 -3.94 113.62 112.52 2k1q n SER 138 Ca 0.00 -1.94 -0.40 0.00 -0.26 0.00 0.00 58.87 56.27 2k1q n SER 138 Cb 0.00 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 63.72 2k1q n SER 138 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k1q s SER 139 N -1.40 5.80 0.00 4.04 0.15 -1.26 -1.85 113.70 119.18 2k1q s SER 139 Ca 0.38 2.95 0.00 0.00 0.70 0.00 0.00 55.95 59.98 2k1q s SER 139 Cb 0.21 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2k1q s SER 139 CO 0.30 -1.23 0.00 0.61 1.20 0.00 0.00 173.24 174.12 2k1q n GLY 140 N 0.57 2.24 3.73 9.45 0.00 -0.70 -2.73 105.19 117.76 2k1q n GLY 140 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 0.72 3.84 -0.02 0.00 -0.77 -3.75 105.19 103.21 2k1q n GLY 141 Ca 0.00 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.78 3.97 -0.53 1.61 0.04 -1.26 -1.34 135.00 134.71 2k1q s PRO 142 Ca 0.70 0.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.01 2k1q s PRO 142 Cb -0.43 -3.14 0.06 0.00 0.04 0.00 0.00 34.50 31.03 2k1q s PRO 142 CO 0.51 0.63 0.67 -0.51 0.04 0.00 0.00 177.00 178.34 2k1q s LEU 143 N -1.35 4.95 0.53 -3.56 1.02 -0.10 -3.38 118.68 116.79 2k1q s LEU 143 Ca 0.28 -0.96 -0.12 0.00 0.02 0.00 0.00 54.13 53.35 2k1q s LEU 143 Cb -0.17 -2.45 -0.06 0.00 0.02 0.00 0.00 46.19 43.54 2k1q s LEU 143 CO 0.16 -0.97 0.94 -0.76 0.02 0.00 0.00 176.35 175.74 2k1q s LEU 144 N 2.79 3.52 0.35 1.79 1.02 -0.98 -0.89 118.68 126.27 2k1q s LEU 144 Ca 0.16 1.36 0.03 0.00 0.02 0.00 0.00 54.13 55.69 2k1q s LEU 144 Cb -0.19 -4.33 -0.02 0.00 0.02 0.00 0.00 46.19 41.67 2k1q s LEU 144 CO 0.11 -0.66 0.52 0.00 0.02 0.00 0.00 176.35 176.35 2k1q h PRO 146 N 0.79 0.00 -0.19 0.00 0.13 -1.89 -1.56 132.00 129.27 2k1q h PRO 146 Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 2k1q h PRO 146 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2k1q h PRO 146 CO 0.58 0.20 -0.52 0.66 -0.23 0.00 0.00 178.00 178.69 2k1q h SER 147 N 0.00 0.61 0.00 1.44 4.64 -1.96 -3.47 113.55 114.81 2k1q h SER 147 Ca -0.00 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2k1q h SER 147 Cb 0.35 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2k1q h SER 147 CO 0.03 1.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 2k1q n GLY 148 N 0.20 1.00 3.23 -0.77 0.00 -0.59 -5.15 105.19 103.11 2k1q n GLY 148 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.74 1.34 -0.25 1.61 3.76 -1.26 -4.81 115.29 113.94 2k1q s HIS 149 Ca 0.00 -0.56 -0.24 0.00 -0.15 0.00 0.00 55.06 54.11 2k1q s HIS 149 Cb 0.00 -0.71 -0.00 0.00 1.11 0.00 0.00 32.58 32.98 2k1q s HIS 149 CO 0.00 0.12 0.82 0.00 -0.85 0.00 0.00 174.74 174.83 2k1q s ALA 150 N -2.10 3.63 -0.14 -1.40 0.00 0.33 0.44 121.76 122.51 2k1q s ALA 150 Ca 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 51.96 51.75 2k1q s ALA 150 Cb -0.05 -3.28 -0.24 0.00 0.00 0.00 0.00 23.12 19.54 2k1q s ALA 150 CO 0.03 -0.97 0.31 0.28 0.00 0.00 0.00 175.76 175.40 2k1q n VAL 151 N 5.30 1.73 -3.21 0.00 0.31 -0.07 -2.45 118.33 119.94 2k1q n VAL 151 Ca 0.05 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 2k1q n VAL 151 Cb 0.48 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 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 1.89 1.56 3.08 2.92 0.00 -1.25 -2.15 105.19 111.24 2k1q n GLY 152 Ca -0.33 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.67 0.99 0.35 -0.61 1.01 -0.53 -0.92 121.20 118.81 2k1q s ILE 153 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.83 2k1q s ILE 153 Cb 0.00 -0.82 -0.11 0.00 0.01 0.00 0.00 42.46 41.54 2k1q s ILE 153 CO 0.00 0.28 1.41 0.12 0.00 0.00 0.00 174.94 176.75 2k1q s PHE 154 N -0.29 2.81 0.04 3.97 5.36 -0.45 -0.88 117.98 128.53 2k1q s PHE 154 Ca 0.05 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 2k1q s PHE 154 Cb -0.05 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 2k1q s PHE 154 CO -0.00 -2.51 0.00 -2.13 -1.46 0.00 0.00 175.22 169.12 2k1q n ARG 155 N 0.72 0.00 -3.95 10.12 0.63 -0.26 -1.71 116.66 122.21 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 -0.42 -0.07 0.00 0.45 0.00 0.00 32.46 32.82 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 -0.05 0.04 5.13 0.00 -1.11 -4.87 121.76 118.89 2k1q s ALA 156 Ca 0.00 -0.85 0.08 0.00 0.00 0.00 0.00 51.96 51.19 2k1q s ALA 156 Cb 0.00 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 2k1q s ALA 156 CO 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 175.76 174.87 2k1q s ALA 157 N -3.96 2.03 -0.23 0.00 0.00 -1.26 -1.65 121.76 116.68 2k1q s ALA 157 Ca 0.17 -1.16 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 2k1q s ALA 157 Cb 0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 2k1q s ALA 157 CO -0.00 0.48 -0.01 0.08 0.00 0.00 0.00 175.76 176.31 2k1q s VAL 158 N -0.76 3.68 0.05 0.00 1.01 0.82 -4.99 120.40 120.21 2k1q s VAL 158 Ca 0.10 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.75 2k1q s VAL 158 Cb -0.09 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2k1q s VAL 158 CO 0.02 0.39 -0.19 0.00 0.00 0.00 0.00 175.10 175.31 2k1q h THR 160 N 4.34 0.00 -2.14 0.00 2.02 -1.80 -3.43 112.91 111.90 2k1q h THR 160 Ca -0.42 -0.58 -0.55 0.00 0.77 0.00 0.00 66.41 65.63 2k1q h THR 160 Cb 1.17 0.00 -0.41 0.00 -1.74 0.00 0.00 68.15 67.17 2k1q h THR 160 CO 0.43 0.00 -0.88 0.54 0.37 0.00 0.00 175.52 175.98 2k1q n ARG 161 N -3.62 2.05 -0.06 6.66 5.12 -1.26 -4.85 116.66 120.71 2k1q n ARG 161 Ca -0.01 -4.13 0.00 0.00 -1.93 0.00 0.00 57.85 51.78 2k1q n ARG 161 Cb 0.04 -1.93 0.00 0.00 -1.16 0.00 0.00 32.46 29.41 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 0.32 1.42 3.34 -0.13 0.00 -1.26 -5.03 105.19 103.85 2k1q n GLY 162 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 2k1q n GLY 162 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1q s VAL 163 N -2.57 2.76 -0.17 1.61 -7.23 -1.26 -2.65 120.40 110.89 2k1q s VAL 163 Ca 0.00 -0.77 -0.22 0.00 -1.81 0.00 0.00 61.98 59.18 2k1q s VAL 163 Cb 0.00 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2k1q s VAL 163 CO 0.00 0.54 0.66 0.00 -0.31 0.00 0.00 175.10 175.99 2k1q s ALA 164 N 0.23 3.50 -0.11 1.32 0.00 0.15 -1.99 121.76 124.86 2k1q s ALA 164 Ca -0.11 -0.16 0.10 0.00 0.00 0.00 0.00 51.96 51.79 2k1q s ALA 164 Cb -0.16 -2.98 -0.14 0.00 0.00 0.00 0.00 23.12 19.84 2k1q s ALA 164 CO 0.06 -0.46 0.05 1.63 0.00 0.00 0.00 175.76 177.04 2k1q n LYS 165 N 4.78 2.08 -4.02 0.00 5.02 -0.74 -3.39 118.16 121.88 2k1q n LYS 165 Ca -0.01 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 2k1q n LYS 165 Cb 0.50 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.30 0.35 0.37 7.82 0.00 -1.19 0.67 121.76 127.48 2k1q s ALA 166 Ca -0.06 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2k1q s ALA 166 Cb 0.04 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2k1q s ALA 166 CO 0.47 -0.12 0.12 0.14 0.00 0.00 0.00 175.76 176.37 2k1q s VAL 167 N -1.62 0.69 -0.05 0.00 -7.23 -1.10 -0.12 120.40 110.97 2k1q s VAL 167 Ca -0.12 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.07 2k1q s VAL 167 Cb -0.09 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.39 2k1q s VAL 167 CO -0.01 0.00 -0.09 -1.81 -0.31 0.00 0.00 175.10 172.88 2k1q s ASP 168 N -3.54 1.40 0.11 4.85 1.01 -0.66 -2.52 116.67 117.31 2k1q s ASP 168 Ca 0.29 -0.22 0.06 0.00 0.71 0.00 0.00 52.55 53.38 2k1q s ASP 168 Cb 0.04 -0.59 -0.04 0.00 1.01 0.00 0.00 42.92 43.35 2k1q s ASP 168 CO 0.15 0.02 -0.14 0.72 0.21 0.00 0.00 175.17 176.12 2k1q s PHE 169 N 0.61 1.37 -0.27 4.23 -0.12 -0.55 -1.10 117.98 122.16 2k1q s PHE 169 Ca -0.11 -0.52 -0.17 0.00 -0.05 0.00 0.00 56.93 56.08 2k1q s PHE 169 Cb -0.14 -0.73 -0.03 0.00 -0.63 0.00 0.00 43.02 41.49 2k1q s PHE 169 CO 0.02 0.12 0.47 0.08 -0.05 0.00 0.00 175.22 175.86 2k1q s VAL 170 N -1.84 5.10 0.70 -2.49 1.01 -0.06 -4.55 120.40 118.27 2k1q s VAL 170 Ca 0.06 0.73 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 2k1q s VAL 170 Cb -0.07 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2k1q s VAL 170 CO 0.03 0.08 1.20 -2.16 0.00 0.00 0.00 175.10 174.25 2k1q s PRO 171 N 2.24 2.35 0.51 2.72 0.04 -1.26 -1.45 135.00 140.14 2k1q s PRO 171 Ca 0.19 1.74 0.22 0.00 0.04 0.00 0.00 61.00 63.18 2k1q s PRO 171 Cb -0.16 -1.86 1.35 0.00 0.04 0.00 0.00 34.50 33.87 2k1q s PRO 171 CO 0.10 -1.67 2.09 0.28 0.04 0.00 0.00 177.00 177.84 2k1q h VAL 172 N -0.06 0.81 -0.94 -0.36 2.07 -1.75 -2.60 116.25 113.42 2k1q h VAL 172 Ca -0.48 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 66.67 2k1q h VAL 172 Cb 1.29 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 2k1q h VAL 172 CO 0.51 0.10 0.62 -0.08 0.02 0.00 0.00 177.57 178.74 2k1q h GLU 173 N 0.00 1.23 -0.49 1.57 4.81 -1.90 -1.41 114.58 118.39 2k1q h GLU 173 Ca -0.00 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2k1q h GLU 173 Cb 0.22 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2k1q h GLU 173 CO 0.01 0.82 0.33 0.66 -0.73 0.00 0.00 179.01 180.10 2k1q h SER 174 N 1.27 0.56 -0.38 1.04 4.64 -1.83 -1.68 113.55 117.18 2k1q h SER 174 Ca 0.35 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.49 2k1q h SER 174 Cb -0.14 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 2k1q h SER 174 CO -0.08 0.41 -0.41 0.24 -0.87 0.00 0.00 176.83 176.12 2k1q h MET 175 N 0.66 0.94 -1.01 4.77 2.86 -1.58 -3.00 114.93 118.57 2k1q h MET 175 Ca 0.18 -0.51 0.01 0.00 -2.06 0.00 0.00 59.70 57.32 2k1q h MET 175 Cb -0.07 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 2k1q h MET 175 CO -0.04 1.16 0.67 1.49 1.06 0.00 0.00 176.91 181.25 2k1q h GLU 176 N 0.76 1.33 -0.76 1.72 4.81 -1.00 -0.43 114.58 121.00 2k1q h GLU 176 Ca 0.06 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2k1q h GLU 176 Cb 1.01 -0.30 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 2k1q h GLU 176 CO 0.10 0.88 0.24 1.15 -0.73 0.00 0.00 179.01 180.65 2k1q h THR 177 N 1.36 1.26 -0.37 0.32 2.02 -1.25 -2.26 112.91 114.00 2k1q h THR 177 Ca 0.37 -0.91 -0.16 0.00 0.77 0.00 0.00 66.41 66.47 2k1q h THR 177 Cb -0.16 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2k1q h THR 177 CO -0.08 0.36 -0.41 0.74 0.37 0.00 0.00 175.52 176.50 2k1q h THR 178 N 1.13 1.27 -0.97 3.16 2.02 -1.27 -2.75 112.91 115.49 2k1q h THR 178 Ca 0.24 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.84 2k1q h THR 178 Cb 0.31 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 2k1q h THR 178 CO -0.01 0.53 0.61 -0.03 0.37 0.00 0.00 175.52 176.99 2k1q h MET 179 N 0.74 1.30 -0.54 6.66 -1.53 -0.87 0.32 114.93 121.01 2k1q h MET 179 Ca 0.05 -0.10 -0.12 0.00 -3.44 0.00 0.00 59.70 56.09 2k1q h MET 179 Cb 1.01 -0.28 -0.02 0.00 -0.55 0.00 0.00 31.60 31.76 2k1q h MET 179 CO 0.10 0.89 -0.12 0.00 0.14 0.00 0.00 176.91 177.91 2k1q h ARG 180 N 1.33 1.04 0.32 0.39 2.47 -1.35 -3.27 114.38 115.31 2k1q h ARG 180 Ca 0.35 -0.39 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 2k1q h ARG 180 Cb -0.10 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.16 2k1q h ARG 180 CO -0.07 1.09 -0.15 0.00 0.56 0.00 0.00 179.97 181.39 2k1q h ALA 181 N 0.93 -0.42 -2.16 0.04 0.00 -1.15 -3.47 119.26 113.02 2k1q h ALA 181 Ca 0.14 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.12 2k1q h ALA 181 Cb 0.70 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 2k1q h ALA 181 CO 0.05 -0.49 -0.36 0.45 0.00 0.00 0.00 179.25 178.90 2k1q n SER 182 N -5.09 -5.68 -0.17 0.00 2.88 0.06 -4.19 113.62 101.43 2k1q n SER 182 Ca -0.09 0.40 -0.11 0.00 -1.33 0.00 0.00 58.87 57.74 2k1q n SER 182 Cb 0.26 -3.11 0.00 0.00 -0.75 0.00 0.00 64.21 60.62 2k1q n SER 182 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2k1q h LYS 183 N -0.91 1.01 -6.60 -1.46 1.79 -1.93 -3.43 116.57 105.03 2k1q h LYS 183 Ca 0.01 -0.43 -0.70 0.00 -2.18 0.00 0.00 60.65 57.36 2k1q h LYS 183 Cb 1.22 -0.04 -0.30 0.00 -1.58 0.00 0.00 32.23 31.54 2k1q h LYS 183 CO 0.01 1.11 -0.89 0.21 -1.08 0.00 0.00 179.45 178.81 2k1q s LYS 184 N -4.70 2.10 -0.12 3.15 2.20 -1.26 -5.13 119.74 115.99 2k1q s LYS 184 Ca -0.11 -0.93 -0.07 0.00 -0.36 0.00 0.00 55.97 54.50 2k1q s LYS 184 Cb 0.12 -2.03 -0.04 0.00 -1.51 0.00 0.00 37.83 34.37 2k1q s LYS 184 CO 0.87 0.56 0.14 0.15 -0.36 0.00 0.00 175.35 176.71 2k1q s LYS 185 N -0.61 3.45 0.00 4.03 1.02 -1.26 -4.98 119.74 121.39 2k1q s LYS 185 Ca 0.10 -0.12 0.17 0.00 0.02 0.00 0.00 55.97 56.14 2k1q s LYS 185 Cb -0.10 -3.19 0.14 0.00 -0.52 0.00 0.00 37.83 34.16 2k1q s LYS 185 CO -0.01 0.78 1.05 1.17 -0.92 0.00 0.00 175.35 177.42