#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3miq s VAL 3 N 0.00 3.49 -0.20 1.69 0.11 -1.26 -4.40 120.40 119.83 3miq s VAL 3 Ca 0.00 1.50 -0.21 0.00 -2.93 0.00 0.00 61.98 60.34 3miq s VAL 3 Cb 0.00 -3.95 0.06 0.00 -1.53 0.00 0.00 36.38 30.95 3miq s VAL 3 CO 0.00 0.36 0.59 -1.58 -3.33 0.00 0.00 175.10 171.13 3miq s GLN 4 N -1.42 0.71 -0.06 1.54 0.74 -0.50 -4.99 119.66 115.67 3miq s GLN 4 Ca 0.45 0.76 0.03 0.00 0.05 0.00 0.00 55.36 56.64 3miq s GLN 4 Cb -0.32 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.14 3miq s GLN 4 CO 0.41 -0.10 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.39 3miq s LEU 5 N 0.17 1.81 -0.25 3.68 1.43 -1.26 -1.70 118.68 122.55 3miq s LEU 5 Ca -0.01 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3miq s LEU 5 Cb -0.04 -0.93 0.08 0.00 0.03 0.00 0.00 46.19 45.33 3miq s LEU 5 CO 0.01 0.10 0.06 -0.69 0.23 0.00 0.00 176.35 176.06 3miq s VAL 6 N 0.36 0.73 0.35 -1.59 1.01 -0.70 -4.05 120.40 116.52 3miq s VAL 6 Ca -0.10 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.68 3miq s VAL 6 Cb -0.14 -1.37 -0.10 0.00 0.00 0.00 0.00 36.38 34.77 3miq s VAL 6 CO 0.04 -0.43 0.86 -1.61 0.00 0.00 0.00 175.10 173.97 3miq s GLU 7 N 1.73 4.25 0.16 2.72 8.01 -1.26 -1.07 118.70 133.23 3miq s GLU 7 Ca 0.04 1.02 -0.14 0.00 0.01 0.00 0.00 54.97 55.89 3miq s GLU 7 Cb -0.17 -2.47 0.02 0.00 -4.31 0.00 0.00 34.13 27.20 3miq s GLU 7 CO -0.17 0.14 0.41 -1.54 0.01 0.00 0.00 175.26 174.11 3miq s SER 8 N -2.01 -0.15 0.00 -0.19 1.04 0.23 -4.68 113.70 107.94 3miq s SER 8 Ca 0.55 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.42 3miq s SER 8 Cb -0.12 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3miq s SER 8 CO 0.17 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.06 3miq n GLY 9 N -0.26 1.27 3.68 7.32 0.00 -1.26 -1.03 105.19 114.91 3miq n GLY 9 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3miq n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3miq n GLY 10 N -0.23 0.13 3.69 -0.02 0.00 -1.26 -4.69 105.19 102.80 3miq n GLY 10 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 3miq n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3miq s ALA 11 N -1.64 -1.83 -0.06 4.61 0.00 -0.76 -4.89 121.76 117.19 3miq s ALA 11 Ca 0.78 0.43 -0.27 0.00 0.00 0.00 0.00 51.96 52.90 3miq s ALA 11 Cb -0.36 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3miq s ALA 11 CO 0.45 -0.99 0.85 -1.17 0.00 0.00 0.00 175.76 174.91 3miq s LEU 12 N -2.87 4.31 0.03 0.00 2.96 -1.26 -1.88 118.68 119.97 3miq s LEU 12 Ca 0.12 1.39 -0.00 0.00 -0.22 0.00 0.00 54.13 55.42 3miq s LEU 12 Cb 0.00 -3.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 3miq s LEU 12 CO -0.01 -0.25 -0.03 0.68 -1.32 0.00 0.00 176.35 175.42 3miq s VAL 13 N 1.21 0.17 0.42 1.68 -7.23 0.07 -4.97 120.40 111.74 3miq s VAL 13 Ca 0.44 -1.18 -0.16 0.00 -1.81 0.00 0.00 61.98 59.28 3miq s VAL 13 Cb -0.19 -0.64 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 3miq s VAL 13 CO 0.21 -0.63 0.86 -1.10 -0.31 0.00 0.00 175.10 174.12 3miq s GLN 14 N -2.17 3.99 0.27 4.82 -0.21 -1.26 -2.22 119.66 122.88 3miq s GLN 14 Ca -0.09 0.80 -0.29 0.00 0.02 0.00 0.00 55.36 55.80 3miq s GLN 14 Cb -0.05 -2.29 -0.14 0.00 1.00 0.00 0.00 33.01 31.53 3miq s GLN 14 CO -0.03 -0.04 1.07 -2.30 -2.12 0.00 0.00 175.29 171.86 3miq n PRO 15 N -0.96 1.38 -0.16 2.91 -0.02 -1.26 -0.64 135.00 136.25 3miq n PRO 15 Ca 0.05 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3miq n PRO 15 Cb 0.54 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3miq n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3miq n GLY 16 N 1.41 1.89 3.85 -1.23 0.00 0.13 -4.94 105.19 106.30 3miq n GLY 16 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3miq n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3miq s GLY 17 N -1.94 1.70 0.19 -0.02 0.00 0.19 -3.88 107.32 103.56 3miq s GLY 17 Ca 0.00 -1.01 0.09 0.00 0.00 0.00 0.00 44.72 43.80 3miq s GLY 17 CO 0.00 -0.28 -0.18 -0.56 0.00 0.00 0.00 173.10 172.08 3miq s SER 18 N -4.58 2.79 -0.15 1.64 0.01 -1.26 -2.13 113.70 110.03 3miq s SER 18 Ca 0.71 -0.92 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 3miq s SER 18 Cb -0.07 -0.17 0.08 0.00 0.21 0.00 0.00 66.02 66.06 3miq s SER 18 CO 0.53 -0.05 0.73 -0.22 0.41 0.00 0.00 173.24 174.64 3miq s LEU 19 N -2.93 -0.66 -0.29 2.44 2.96 -0.65 -5.02 118.68 114.52 3miq s LEU 19 Ca 0.19 0.97 -0.00 0.00 -0.22 0.00 0.00 54.13 55.07 3miq s LEU 19 Cb -0.04 2.44 0.09 0.00 0.50 0.00 0.00 46.19 49.18 3miq s LEU 19 CO 0.08 -0.44 0.07 -0.60 -1.32 0.00 0.00 176.35 174.14 3miq s ARG 20 N -0.56 0.87 0.58 1.98 3.00 -1.26 -0.46 118.95 123.09 3miq s ARG 20 Ca -0.06 -1.09 -0.16 0.00 -1.00 0.00 0.00 55.73 53.42 3miq s ARG 20 Cb -0.02 -2.18 -0.04 0.00 0.00 0.00 0.00 34.95 32.71 3miq s ARG 20 CO 0.05 -0.91 1.05 -0.51 0.00 0.00 0.00 175.30 174.99 3miq s LEU 21 N 1.55 3.54 0.06 -0.88 1.43 -0.70 -4.75 118.68 118.94 3miq s LEU 21 Ca 0.07 1.83 -0.04 0.00 -1.03 0.00 0.00 54.13 54.96 3miq s LEU 21 Cb -0.18 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.49 3miq s LEU 21 CO -0.20 -1.11 0.06 -0.94 0.23 0.00 0.00 176.35 174.40 3miq s SER 22 N -2.69 0.32 -0.04 2.29 1.04 -0.19 -1.52 113.70 112.91 3miq s SER 22 Ca 0.64 -0.82 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 3miq s SER 22 Cb -0.16 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.24 3miq s SER 22 CO 0.35 -0.63 0.06 0.00 0.98 0.00 0.00 173.24 174.00 3miq s ALA 24 N 1.70 3.58 -0.09 0.00 0.00 -0.24 -1.39 121.76 125.33 3miq s ALA 24 Ca -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 3miq s ALA 24 Cb -0.12 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3miq s ALA 24 CO -0.03 -0.82 0.06 0.00 0.00 0.00 0.00 175.76 174.97 3miq s ALA 25 N 2.40 3.53 0.04 0.00 0.00 -0.78 -1.72 121.76 125.22 3miq s ALA 25 Ca 0.23 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.44 3miq s ALA 25 Cb -0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 3miq s ALA 25 CO 0.09 0.61 -0.06 -1.54 0.00 0.00 0.00 175.76 174.86 3miq s SER 26 N -1.05 0.70 0.00 0.00 1.04 -0.69 -4.83 113.70 108.87 3miq s SER 26 Ca 0.15 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3miq s SER 26 Cb -0.12 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3miq s SER 26 CO 0.05 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.63 3miq n GLY 27 N 1.43 0.81 3.44 7.32 0.00 -1.26 -1.42 105.19 115.51 3miq n GLY 27 Ca -0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 3miq n GLY 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3miq s PHE 28 N -2.13 -0.51 -0.08 1.61 -0.71 -1.26 -4.60 117.98 110.29 3miq s PHE 28 Ca 0.00 0.36 -0.30 0.00 -1.04 0.00 0.00 56.93 55.95 3miq s PHE 28 Cb 0.00 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.33 3miq s PHE 28 CO 0.00 -0.78 1.13 -2.14 -1.34 0.00 0.00 175.22 172.09 3miq s PRO 29 N -3.48 4.37 0.00 1.99 0.02 -1.26 -4.88 135.00 131.75 3miq s PRO 29 Ca 0.01 1.57 0.12 0.00 0.02 0.00 0.00 61.00 62.72 3miq s PRO 29 Cb -0.01 -3.56 0.55 0.00 0.02 0.00 0.00 34.50 31.49 3miq s PRO 29 CO -0.11 -0.42 1.33 1.55 -0.33 0.00 0.00 177.00 179.02 3miq n VAL 30 N 4.65 0.95 -1.20 3.83 3.14 -1.26 -2.06 118.33 126.39 3miq n VAL 30 Ca 0.10 0.24 -0.05 0.00 -2.96 0.00 0.00 64.34 61.67 3miq n VAL 30 Cb 0.47 -1.04 0.24 0.00 -1.06 0.00 0.00 33.84 32.45 3miq n VAL 30 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3miq n ASN 31 N -1.39 3.71 0.00 6.55 6.94 -1.26 -4.20 115.26 125.60 3miq n ASN 31 Ca 0.04 -3.42 0.00 0.00 -0.02 0.00 0.00 54.58 51.18 3miq n ASN 31 Cb 0.12 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 3miq n ASN 31 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3miq n ARG 32 N -0.71 -0.22 -3.95 -3.83 5.12 -0.87 -4.73 116.66 107.47 3miq n ARG 32 Ca 0.38 -0.24 -0.10 0.00 -1.93 0.00 0.00 57.85 55.96 3miq n ARG 32 Cb 1.22 -0.72 -0.12 0.00 -1.16 0.00 0.00 32.46 31.68 3miq n ARG 32 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3miq s TYR 33 N -0.04 0.19 0.09 -1.55 1.51 -1.25 -4.87 117.35 111.43 3miq s TYR 33 Ca 0.00 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.37 3miq s TYR 33 Cb 0.00 -0.14 -0.07 0.00 -0.11 0.00 0.00 41.96 41.65 3miq s TYR 33 CO 0.00 -0.14 1.25 -1.54 -1.11 0.00 0.00 175.55 174.02 3miq s SER 34 N -1.05 7.01 -0.04 2.29 1.04 -1.26 -4.16 113.70 117.53 3miq s SER 34 Ca -0.12 2.14 0.02 0.00 0.48 0.00 0.00 55.95 58.48 3miq s SER 34 Cb -0.07 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 3miq s SER 34 CO -0.01 -0.51 -0.09 -0.04 0.98 0.00 0.00 173.24 173.57 3miq s MET 35 N 0.87 2.60 0.10 4.02 1.00 -0.94 -4.50 119.30 122.45 3miq s MET 35 Ca 0.59 -0.65 0.03 0.00 0.00 0.00 0.00 55.69 55.66 3miq s MET 35 Cb -0.32 -2.50 -0.04 0.00 0.00 0.00 0.00 34.83 31.98 3miq s MET 35 CO 0.31 0.63 -0.09 1.03 0.00 0.00 0.00 175.02 176.90 3miq s ARG 36 N -1.00 0.83 -0.06 2.03 0.52 -0.69 -1.32 118.95 119.26 3miq s ARG 36 Ca 0.14 -1.18 0.04 0.00 -0.52 0.00 0.00 55.73 54.20 3miq s ARG 36 Cb -0.11 -0.45 -0.02 0.00 0.52 0.00 0.00 34.95 34.89 3miq s ARG 36 CO 0.03 0.06 -0.17 -1.58 0.02 0.00 0.00 175.30 173.66 3miq s TRP 37 N -2.66 2.64 0.38 -0.53 0.52 0.74 -0.92 118.94 119.11 3miq s TRP 37 Ca 0.06 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.89 3miq s TRP 37 Cb -0.01 -1.64 -0.08 0.00 -1.15 0.00 0.00 33.47 30.59 3miq s TRP 37 CO -0.01 0.04 0.02 0.71 0.02 0.00 0.00 176.95 177.73 3miq s TYR 38 N -0.46 2.36 -0.07 -1.98 2.02 0.03 -0.44 117.35 118.81 3miq s TYR 38 Ca 0.05 -0.76 -0.08 0.00 -0.37 0.00 0.00 57.07 55.92 3miq s TYR 38 Cb -0.12 -1.63 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3miq s TYR 38 CO 0.02 0.32 0.21 -0.98 -1.57 0.00 0.00 175.55 173.55 3miq s ARG 39 N -3.76 0.30 -0.22 -0.62 1.70 -0.15 -1.14 118.95 115.06 3miq s ARG 39 Ca 0.35 0.20 0.01 0.00 -0.47 0.00 0.00 55.73 55.82 3miq s ARG 39 Cb 0.10 0.14 0.05 0.00 -0.57 0.00 0.00 34.95 34.67 3miq s ARG 39 CO 0.17 -0.05 -0.07 -1.14 -1.08 0.00 0.00 175.30 173.13 3miq s GLN 40 N -0.13 1.74 1.20 3.89 0.74 0.23 -0.91 119.66 126.42 3miq s GLN 40 Ca -0.02 -0.89 -0.19 0.00 0.05 0.00 0.00 55.36 54.31 3miq s GLN 40 Cb -0.02 -2.47 0.28 0.00 1.10 0.00 0.00 33.01 31.90 3miq s GLN 40 CO 0.01 -0.52 1.10 0.00 -0.55 0.00 0.00 175.29 175.32 3miq s ALA 41 N 1.42 0.55 -0.03 1.58 0.00 -1.26 -2.08 121.76 121.93 3miq s ALA 41 Ca -0.04 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 3miq s ALA 41 Cb -0.18 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3miq s ALA 41 CO -0.07 -3.59 1.11 -2.14 0.00 0.00 0.00 175.76 171.07 3miq s PRO 42 N -5.34 4.43 -1.31 0.00 0.02 -1.26 -3.41 135.00 128.13 3miq s PRO 42 Ca 0.70 1.58 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 3miq s PRO 42 Cb -0.11 -3.49 -0.00 0.00 0.02 0.00 0.00 34.50 30.92 3miq s PRO 42 CO 0.56 -0.29 0.66 0.41 -0.33 0.00 0.00 177.00 178.01 3miq n GLY 43 N 3.18 -0.34 3.21 0.52 0.00 -1.26 -5.01 105.19 105.49 3miq n GLY 43 Ca 0.09 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 3miq n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3miq s LYS 44 N -6.04 1.03 0.34 1.61 1.02 -1.22 -5.14 119.74 111.33 3miq s LYS 44 Ca 0.04 -1.40 -0.26 0.00 0.02 0.00 0.00 55.97 54.37 3miq s LYS 44 Cb -0.01 0.28 -0.09 0.00 -0.52 0.00 0.00 37.83 37.49 3miq s LYS 44 CO 0.83 -0.32 1.03 -1.21 -0.92 0.00 0.00 175.35 174.75 3miq s GLU 45 N -4.04 4.42 0.23 1.68 2.02 -1.26 -4.61 118.70 117.14 3miq s GLU 45 Ca 0.24 1.53 -0.31 0.00 0.02 0.00 0.00 54.97 56.45 3miq s GLU 45 Cb 0.06 -2.80 -0.14 0.00 0.10 0.00 0.00 34.13 31.35 3miq s GLU 45 CO 0.03 0.09 1.24 -2.13 0.02 0.00 0.00 175.26 174.51 3miq n ARG 46 N 0.47 1.58 -4.82 1.61 0.63 -1.26 -4.64 116.66 110.23 3miq n ARG 46 Ca 0.02 0.56 -0.28 0.00 -0.92 0.00 0.00 57.85 57.24 3miq n ARG 46 Cb 0.48 -2.10 -0.17 0.00 0.45 0.00 0.00 32.46 31.13 3miq n ARG 46 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3miq s GLU 47 N -0.67 2.27 0.22 -0.14 2.12 -0.08 -4.96 118.70 117.46 3miq s GLU 47 Ca 0.68 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 55.10 3miq s GLU 47 Cb -0.73 -1.79 -0.09 0.00 0.26 0.00 0.00 34.13 31.78 3miq s GLU 47 CO 0.53 0.08 1.16 -0.46 -0.54 0.00 0.00 175.26 176.03 3miq s TRP 48 N 0.57 3.47 -0.04 5.30 -0.00 -1.26 -0.98 118.94 126.00 3miq s TRP 48 Ca -0.16 1.52 -0.03 0.00 -0.00 0.00 0.00 56.10 57.44 3miq s TRP 48 Cb -0.17 -3.38 -0.02 0.00 -0.00 0.00 0.00 33.47 29.90 3miq s TRP 48 CO 0.05 -0.98 -0.06 0.28 -0.00 0.00 0.00 176.95 176.24 3miq n VAL 49 N 2.01 0.37 -3.73 5.86 0.31 0.41 -4.61 118.33 118.94 3miq n VAL 49 Ca 0.02 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3miq n VAL 49 Cb 0.45 -1.58 -0.04 0.00 -0.91 0.00 0.00 33.84 31.76 3miq n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3miq s ALA 50 N -2.10 -0.93 0.02 3.52 0.00 -1.06 -1.67 121.76 119.54 3miq s ALA 50 Ca -0.07 -0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 3miq s ALA 50 Cb 0.02 0.85 0.09 0.00 0.00 0.00 0.00 23.12 24.08 3miq s ALA 50 CO 0.08 -0.79 0.75 0.20 0.00 0.00 0.00 175.76 176.00 3miq s GLY 51 N -2.87 -0.52 0.03 0.00 0.00 -0.45 -0.18 107.32 103.33 3miq s GLY 51 Ca 0.09 1.05 0.03 0.00 0.00 0.00 0.00 44.72 45.89 3miq s GLY 51 CO -0.03 0.53 -0.10 -3.16 0.00 0.00 0.00 173.10 170.33 3miq s MET 52 N -2.58 0.69 0.88 2.90 0.23 -0.43 -1.21 119.30 119.77 3miq s MET 52 Ca -0.01 -0.62 -0.11 0.00 -1.03 0.00 0.00 55.69 53.92 3miq s MET 52 Cb -0.01 -0.62 0.12 0.00 -1.53 0.00 0.00 34.83 32.80 3miq s MET 52 CO -0.04 0.15 1.16 -1.54 -2.03 0.00 0.00 175.02 172.72 3miq s SER 53 N -1.03 3.18 0.22 -1.18 1.04 -0.59 -2.21 113.70 113.13 3miq s SER 53 Ca -0.02 2.22 -0.08 0.00 0.48 0.00 0.00 55.95 58.55 3miq s SER 53 Cb -0.07 -2.57 0.35 0.00 0.10 0.00 0.00 66.02 63.83 3miq s SER 53 CO 0.01 -2.93 1.70 0.77 0.98 0.00 0.00 173.24 173.76 3miq h SER 54 N -1.57 0.04 0.82 7.02 4.64 -1.90 -0.96 113.55 121.64 3miq h SER 54 Ca -0.44 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3miq h SER 54 Cb 1.27 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3miq h SER 54 CO 0.43 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 3miq n ALA 55 N -2.60 1.85 -0.03 5.18 0.00 -1.26 -4.19 120.51 119.46 3miq n ALA 55 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3miq n ALA 55 Cb 0.36 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3miq n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3miq n GLY 56 N 0.41 2.33 0.06 0.00 0.00 -0.36 -4.91 105.19 102.72 3miq n GLY 56 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 3miq n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3miq n ASP 57 N 0.00 0.34 -3.87 1.61 5.75 -1.26 -4.78 116.55 114.33 3miq n ASP 57 Ca 0.00 0.57 -0.12 0.00 -0.01 0.00 0.00 54.79 55.22 3miq n ASP 57 Cb 0.00 -0.64 -0.14 0.00 -1.03 0.00 0.00 41.12 39.30 3miq n ASP 57 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3miq s ARG 58 N -3.12 0.02 -0.01 0.11 0.52 -1.26 -5.03 118.95 110.17 3miq s ARG 58 Ca 0.08 -0.00 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 3miq s ARG 58 Cb 0.11 -0.03 -0.01 0.00 0.52 0.00 0.00 34.95 35.55 3miq s ARG 58 CO 0.39 -0.00 -0.13 -1.12 0.02 0.00 0.00 175.30 174.46 3miq s SER 59 N 0.03 1.50 0.05 0.23 0.01 -1.26 -1.54 113.70 112.72 3miq s SER 59 Ca -0.00 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.07 3miq s SER 59 Cb -0.00 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 3miq s SER 59 CO -0.00 0.16 -0.14 -0.44 0.41 0.00 0.00 173.24 173.23 3miq s SER 60 N -0.30 1.64 0.09 2.44 0.01 -0.35 -4.99 113.70 112.23 3miq s SER 60 Ca 0.05 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.84 3miq s SER 60 Cb -0.05 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.06 3miq s SER 60 CO -0.00 0.00 -0.09 -0.31 0.41 0.00 0.00 173.24 173.25 3miq s TYR 61 N -0.96 0.96 0.57 2.43 2.02 -1.26 -1.33 117.35 119.77 3miq s TYR 61 Ca 0.00 -0.68 -0.16 0.00 -0.37 0.00 0.00 57.07 55.87 3miq s TYR 61 Cb -0.08 -0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 3miq s TYR 61 CO 0.01 -0.04 1.04 -1.83 -1.57 0.00 0.00 175.55 173.16 3miq s GLU 62 N -2.76 3.50 0.27 -0.62 -1.05 -0.67 -4.83 118.70 112.53 3miq s GLU 62 Ca 0.04 1.15 -0.00 0.00 -0.15 0.00 0.00 54.97 56.00 3miq s GLU 62 Cb -0.03 -2.06 0.56 0.00 -0.44 0.00 0.00 34.13 32.17 3miq s GLU 62 CO -0.01 -0.66 1.76 -0.44 0.95 0.00 0.00 175.26 176.86 3miq h ASP 63 N 0.60 0.53 0.56 0.83 3.32 -1.94 -1.96 116.42 118.35 3miq h ASP 63 Ca -0.47 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3miq h ASP 63 Cb 1.21 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3miq h ASP 63 CO 0.59 0.20 0.00 -1.54 -1.72 0.00 0.00 179.24 176.77 3miq n SER 64 N -4.88 0.61 0.00 6.45 3.41 -1.26 -2.87 113.62 115.09 3miq n SER 64 Ca 0.18 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 3miq n SER 64 Cb 0.46 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3miq n SER 64 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3miq n VAL 65 N -2.21 0.00 -1.67 -3.33 0.24 -0.81 -5.00 118.33 105.56 3miq n VAL 65 Ca 0.01 -0.46 -0.55 0.00 -2.04 0.00 0.00 64.34 61.30 3miq n VAL 65 Cb 0.18 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.49 3miq n VAL 65 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3miq n LYS 66 N -0.90 1.22 -0.17 7.34 3.00 -0.80 -0.92 118.16 126.92 3miq n LYS 66 Ca 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 3miq n LYS 66 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 35.03 32.91 3miq n LYS 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3miq n GLY 67 N 3.65 0.95 0.01 3.14 0.00 -1.26 -4.83 105.19 106.85 3miq n GLY 67 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 3miq n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3miq n ARG 68 N -2.00 3.27 -4.06 1.61 1.74 -0.10 -5.03 116.66 112.09 3miq n ARG 68 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 3miq n ARG 68 Cb 0.00 -1.07 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 3miq n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3miq s PHE 69 N -2.06 3.17 -0.09 -1.55 0.40 -0.99 -1.44 117.98 115.42 3miq s PHE 69 Ca -0.02 0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.33 3miq s PHE 69 Cb 0.01 -1.58 0.04 0.00 0.51 0.00 0.00 43.02 42.00 3miq s PHE 69 CO 0.10 0.52 0.06 0.99 0.70 0.00 0.00 175.22 177.59 3miq s THR 70 N -1.52 -0.02 0.25 0.64 2.01 -0.02 -4.91 115.64 112.09 3miq s THR 70 Ca 0.30 0.18 -0.13 0.00 0.31 0.00 0.00 61.69 62.35 3miq s THR 70 Cb -0.11 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 71.96 3miq s THR 70 CO 0.22 0.04 0.64 -0.51 -0.69 0.00 0.00 174.62 174.33 3miq s ILE 71 N 2.12 4.79 0.21 1.82 2.07 -1.26 -0.78 121.20 130.18 3miq s ILE 71 Ca 0.04 0.78 -0.23 0.00 -1.41 0.00 0.00 60.65 59.83 3miq s ILE 71 Cb -0.13 -3.65 0.04 0.00 0.13 0.00 0.00 42.46 38.85 3miq s ILE 71 CO -0.05 -0.05 0.84 -0.94 -1.91 0.00 0.00 174.94 172.82 3miq s SER 72 N -2.18 -0.22 0.02 4.50 1.04 -1.03 -4.98 113.70 110.85 3miq s SER 72 Ca 0.48 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 56.29 3miq s SER 72 Cb -0.12 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.63 3miq s SER 72 CO 0.19 -1.12 0.27 0.00 0.98 0.00 0.00 173.24 173.56 3miq s ARG 73 N -3.60 0.70 -0.41 4.02 1.70 -1.26 -0.39 118.95 119.71 3miq s ARG 73 Ca 0.11 -0.41 -0.06 0.00 -0.47 0.00 0.00 55.73 54.90 3miq s ARG 73 Cb -0.04 0.30 0.09 0.00 -0.57 0.00 0.00 34.95 34.74 3miq s ARG 73 CO 0.04 -0.21 0.22 0.34 -1.08 0.00 0.00 175.30 174.62 3miq s ASP 74 N -1.75 5.42 0.15 -2.89 3.68 -0.20 -4.99 116.67 116.09 3miq s ASP 74 Ca -0.09 -1.73 -0.20 0.00 2.13 0.00 0.00 52.55 52.66 3miq s ASP 74 Cb -0.03 -1.90 0.03 0.00 -1.45 0.00 0.00 42.92 39.56 3miq s ASP 74 CO -0.00 -0.53 1.67 0.44 0.13 0.00 0.00 175.17 176.88 3miq h ASP 75 N 8.24 -0.40 -0.27 -0.34 3.45 -1.96 -1.09 116.42 124.05 3miq h ASP 75 Ca -0.19 0.10 0.01 0.00 0.43 0.00 0.00 57.03 57.38 3miq h ASP 75 Cb 1.07 0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 40.04 3miq h ASP 75 CO 0.73 -0.15 0.17 0.00 -1.57 0.00 0.00 179.24 178.41 3miq h ALA 76 N 1.14 0.34 -0.01 3.45 0.00 -1.96 -1.38 119.26 120.85 3miq h ALA 76 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3miq h ALA 76 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3miq h ALA 76 CO -0.31 -0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.27 3miq n ARG 77 N -4.92 1.03 -4.04 0.00 1.74 -1.14 -4.92 116.66 104.41 3miq n ARG 77 Ca -0.02 -0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.75 3miq n ARG 77 Cb 0.04 -1.35 -0.04 0.00 -1.02 0.00 0.00 32.46 30.09 3miq n ARG 77 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3miq n ASN 78 N -0.79 0.01 -4.23 0.55 4.05 -0.45 -4.82 115.26 109.57 3miq n ASN 78 Ca 0.17 -1.08 -0.25 0.00 0.45 0.00 0.00 54.58 53.87 3miq n ASN 78 Cb 0.09 -2.68 -0.14 0.00 1.23 0.00 0.00 39.78 38.27 3miq n ASN 78 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3miq s THR 79 N -4.07 1.57 0.02 -0.44 2.01 -0.96 -1.87 115.64 111.90 3miq s THR 79 Ca 0.00 -1.13 0.07 0.00 0.31 0.00 0.00 61.69 60.94 3miq s THR 79 Cb -0.00 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 3miq s THR 79 CO 0.92 0.20 -0.20 -0.69 -0.69 0.00 0.00 174.62 174.16 3miq s VAL 80 N -0.77 2.65 0.18 3.82 1.01 -0.49 -1.03 120.40 125.77 3miq s VAL 80 Ca 0.07 -1.14 0.10 0.00 0.00 0.00 0.00 61.98 61.01 3miq s VAL 80 Cb -0.08 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3miq s VAL 80 CO 0.01 0.41 -0.21 -0.31 0.00 0.00 0.00 175.10 175.00 3miq s TYR 81 N -0.84 2.07 -0.29 5.22 2.02 0.48 -0.12 117.35 125.89 3miq s TYR 81 Ca 0.13 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.41 3miq s TYR 81 Cb -0.10 -1.03 0.09 0.00 -0.40 0.00 0.00 41.96 40.53 3miq s TYR 81 CO 0.03 0.43 0.09 -1.17 -1.57 0.00 0.00 175.55 173.36 3miq s LEU 82 N -2.68 1.80 0.09 -1.29 2.96 -0.58 -2.46 118.68 116.51 3miq s LEU 82 Ca 0.19 -1.47 -0.30 0.00 -0.22 0.00 0.00 54.13 52.32 3miq s LEU 82 Cb -0.07 -0.74 -0.06 0.00 0.50 0.00 0.00 46.19 45.82 3miq s LEU 82 CO 0.08 -0.40 1.11 -1.58 -1.32 0.00 0.00 176.35 174.24 3miq s GLN 83 N 1.73 4.52 -0.06 1.98 2.00 0.04 -1.72 119.66 128.15 3miq s GLN 83 Ca 0.08 1.67 0.05 0.00 -2.00 0.00 0.00 55.36 55.16 3miq s GLN 83 Cb -0.17 -3.35 -0.00 0.00 0.80 0.00 0.00 33.01 30.29 3miq s GLN 83 CO -0.25 -0.09 -0.21 -1.64 -0.50 0.00 0.00 175.29 172.60 3miq s MET 84 N 0.56 2.35 0.17 1.67 -1.94 0.39 -0.84 119.30 121.66 3miq s MET 84 Ca 0.54 -0.76 0.04 0.00 -1.71 0.00 0.00 55.69 53.80 3miq s MET 84 Cb -0.27 -1.93 -0.05 0.00 2.01 0.00 0.00 34.83 34.59 3miq s MET 84 CO 0.31 0.25 -0.07 -0.80 -0.01 0.00 0.00 175.02 174.70 3miq s ASN 85 N 0.11 1.75 -1.46 3.03 0.01 -0.52 -1.64 114.94 116.22 3miq s ASN 85 Ca -0.09 -1.08 -0.09 0.00 -0.71 0.00 0.00 52.86 50.90 3miq s ASN 85 Cb -0.14 0.01 0.06 0.00 0.41 0.00 0.00 41.25 41.58 3miq s ASN 85 CO 0.05 -0.40 0.85 -1.20 -1.51 0.00 0.00 177.10 174.89 3miq n SER 86 N -0.26 -3.32 -4.72 -1.22 7.64 -1.15 -4.73 113.62 105.86 3miq n SER 86 Ca -0.09 -0.81 -0.43 0.00 1.01 0.00 0.00 58.87 58.55 3miq n SER 86 Cb 0.62 -3.85 -0.02 0.00 -1.01 0.00 0.00 64.21 59.95 3miq n SER 86 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3miq n LEU 87 N -4.53 3.99 -4.70 -3.43 4.77 -0.90 -4.65 117.00 107.55 3miq n LEU 87 Ca -0.09 1.14 -0.24 0.00 -0.03 0.00 0.00 56.01 56.79 3miq n LEU 87 Cb 0.58 -1.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.06 3miq n LEU 87 CO 0.74 -0.02 -0.23 -0.54 -1.33 0.00 0.00 177.39 176.01 3miq s LYS 88 N -0.33 2.27 0.49 3.23 1.02 -1.26 0.17 119.74 125.32 3miq s LYS 88 Ca 0.66 -1.63 0.13 0.00 0.02 0.00 0.00 55.97 55.16 3miq s LYS 88 Cb -0.54 -2.09 1.15 0.00 -0.52 0.00 0.00 37.83 35.83 3miq s LYS 88 CO 0.47 0.11 2.12 -1.35 -0.92 0.00 0.00 175.35 175.78 3miq h PRO 89 N 1.63 0.15 0.00 -1.68 0.11 -1.96 -1.78 132.00 128.47 3miq h PRO 89 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3miq h PRO 89 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3miq h PRO 89 CO 0.65 0.11 0.00 -0.85 -0.21 0.00 0.00 178.00 177.69 3miq n GLU 90 N -4.52 0.51 0.00 1.05 0.00 -1.26 -1.93 120.64 114.49 3miq n GLU 90 Ca -0.01 0.04 0.14 0.00 0.00 0.00 0.00 57.16 57.33 3miq n GLU 90 Cb 0.08 -1.50 0.57 0.00 0.00 0.00 0.00 31.44 30.60 3miq n GLU 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3miq n ASP 91 N -1.12 0.61 -4.71 -1.84 8.00 -0.67 -4.87 116.55 111.95 3miq n ASP 91 Ca 0.13 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.53 3miq n ASP 91 Cb 0.11 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3miq n ASP 91 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3miq s THR 92 N -2.45 2.18 0.00 -3.53 2.01 -0.81 -4.89 115.64 108.15 3miq s THR 92 Ca 0.29 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.34 3miq s THR 92 Cb 0.20 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.68 3miq s THR 92 CO 0.47 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.41 3miq n ALA 93 N 4.41 0.00 -2.46 7.40 0.00 -0.55 -4.58 120.51 124.74 3miq n ALA 93 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 3miq n ALA 93 Cb 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 3miq n ALA 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3miq s VAL 94 N -2.00 4.84 -0.18 0.00 1.01 -0.88 -1.08 120.40 122.10 3miq s VAL 94 Ca 0.00 1.43 -0.06 0.00 0.00 0.00 0.00 61.98 63.35 3miq s VAL 94 Cb 0.00 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3miq s VAL 94 CO 0.00 0.38 0.02 -0.31 0.00 0.00 0.00 175.10 175.19 3miq s TYR 95 N -0.07 3.11 0.09 5.22 1.51 0.48 -0.60 117.35 127.08 3miq s TYR 95 Ca 0.35 -0.21 0.08 0.00 -1.01 0.00 0.00 57.07 56.28 3miq s TYR 95 Cb -0.19 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 3miq s TYR 95 CO 0.20 -0.04 -0.19 0.71 -1.11 0.00 0.00 175.55 175.12 3miq s TYR 96 N 0.60 2.51 0.18 2.71 2.02 -0.29 -1.66 117.35 123.42 3miq s TYR 96 Ca 0.00 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.47 3miq s TYR 96 Cb -0.14 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 3miq s TYR 96 CO 0.02 0.32 0.18 0.00 -1.57 0.00 0.00 175.55 174.50 3miq s ASN 98 N -3.27 -0.36 0.04 0.00 2.47 -0.10 -2.42 114.94 111.31 3miq s ASN 98 Ca 0.32 0.67 -0.04 0.00 0.42 0.00 0.00 52.86 54.23 3miq s ASN 98 Cb -0.10 0.58 -0.02 0.00 -1.45 0.00 0.00 41.25 40.26 3miq s ASN 98 CO 0.25 -0.16 0.06 0.54 -3.72 0.00 0.00 177.10 174.07 3miq s VAL 99 N 1.05 0.15 -0.32 -5.21 0.11 -0.95 -1.71 120.40 113.52 3miq s VAL 99 Ca -0.07 -1.23 0.03 0.00 -2.93 0.00 0.00 61.98 57.78 3miq s VAL 99 Cb -0.08 -0.99 0.09 0.00 -1.53 0.00 0.00 36.38 33.88 3miq s VAL 99 CO -0.08 -0.68 0.04 0.21 -3.33 0.00 0.00 175.10 171.26 3miq s ASN 100 N -2.27 4.61 -0.30 3.54 3.04 -1.26 -0.31 114.94 121.99 3miq s ASN 100 Ca -0.03 -1.99 0.02 0.00 0.04 0.00 0.00 52.86 50.90 3miq s ASN 100 Cb 0.00 -1.51 0.09 0.00 -1.54 0.00 0.00 41.25 38.29 3miq s ASN 100 CO -0.06 -0.36 0.03 0.54 -3.04 0.00 0.00 177.10 174.21 3miq s VAL 101 N 1.03 1.73 0.00 -5.21 0.11 -1.26 -4.88 120.40 111.92 3miq s VAL 101 Ca 0.08 -1.79 0.00 0.00 -2.93 0.00 0.00 61.98 57.34 3miq s VAL 101 Cb -0.19 -2.19 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 3miq s VAL 101 CO -0.10 -0.47 0.00 0.61 -3.33 0.00 0.00 175.10 171.82 3miq n GLY 102 N 4.51 1.73 3.91 6.54 0.00 -1.26 -4.74 105.19 115.88 3miq n GLY 102 Ca -0.02 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3miq n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3miq s PHE 103 N 0.00 1.55 0.03 1.61 0.08 -1.26 -5.12 117.98 114.88 3miq s PHE 103 Ca 0.00 -0.86 -0.23 0.00 0.12 0.00 0.00 56.93 55.96 3miq s PHE 103 Cb 0.00 -1.90 -0.06 0.00 -0.57 0.00 0.00 43.02 40.49 3miq s PHE 103 CO 0.00 -0.51 0.67 -2.00 -0.10 0.00 0.00 175.22 173.28 3miq s GLU 104 N -4.30 4.40 0.01 0.44 2.12 -1.26 -4.43 118.70 115.67 3miq s GLU 104 Ca 0.33 0.90 0.08 0.00 0.36 0.00 0.00 54.97 56.64 3miq s GLU 104 Cb -0.02 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 3miq s GLU 104 CO 0.21 0.37 -0.24 0.71 -0.54 0.00 0.00 175.26 175.77 3miq s TYR 105 N -0.28 2.13 0.11 5.30 2.02 0.58 -5.00 117.35 122.22 3miq s TYR 105 Ca 0.34 -0.40 0.10 0.00 -0.37 0.00 0.00 57.07 56.74 3miq s TYR 105 Cb -0.20 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3miq s TYR 105 CO 0.20 0.02 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.38 3miq s TRP 106 N -0.66 2.14 1.11 2.71 0.52 -1.26 -2.24 118.94 121.27 3miq s TRP 106 Ca 0.10 -0.39 -0.18 0.00 0.02 0.00 0.00 56.10 55.64 3miq s TRP 106 Cb -0.09 -1.18 0.26 0.00 -1.15 0.00 0.00 33.47 31.31 3miq s TRP 106 CO 0.00 0.28 1.21 0.20 0.02 0.00 0.00 176.95 178.67 3miq s GLY 107 N -1.93 1.68 0.00 0.98 0.00 -1.02 -4.58 107.32 102.45 3miq s GLY 107 Ca 0.11 -1.12 0.25 0.00 0.00 0.00 0.00 44.72 43.96 3miq s GLY 107 CO 0.05 -0.26 1.34 0.61 0.00 0.00 0.00 173.10 174.84 3miq n GLN 108 N -4.36 0.72 0.00 2.90 0.00 -1.26 -4.84 117.38 110.54 3miq n GLN 108 Ca 0.15 -0.51 0.00 0.00 0.00 0.00 0.00 57.00 56.64 3miq n GLN 108 Cb 0.59 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.35 3miq n GLN 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3miq n GLY 109 N 1.40 1.42 2.93 2.61 0.00 -1.26 -5.04 105.19 107.25 3miq n GLY 109 Ca 0.09 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 3miq n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3miq s THR 110 N -2.74 -0.01 -0.04 2.61 -1.32 -0.66 -4.72 115.64 108.75 3miq s THR 110 Ca 0.00 0.05 -0.21 0.00 -1.21 0.00 0.00 61.69 60.32 3miq s THR 110 Cb 0.00 -0.13 -0.05 0.00 -1.51 0.00 0.00 72.50 70.82 3miq s THR 110 CO 0.00 0.02 0.59 -1.58 -2.21 0.00 0.00 174.62 171.44 3miq s GLN 111 N 0.31 4.34 -0.15 7.08 2.00 -1.26 -0.39 119.66 131.59 3miq s GLN 111 Ca -0.02 0.70 0.01 0.00 -2.00 0.00 0.00 55.36 54.05 3miq s GLN 111 Cb -0.03 -3.39 0.02 0.00 0.80 0.00 0.00 33.01 30.41 3miq s GLN 111 CO -0.01 0.25 -0.18 0.08 -0.50 0.00 0.00 175.29 174.94 3miq s VAL 112 N 0.21 1.81 -0.13 1.34 1.01 -0.24 -1.83 120.40 122.58 3miq s VAL 112 Ca 0.31 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3miq s VAL 112 Cb -0.17 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3miq s VAL 112 CO 0.16 0.50 -0.21 -0.89 0.00 0.00 0.00 175.10 174.66 3miq s THR 113 N 1.26 1.95 -0.34 3.92 2.01 -0.79 -1.48 115.64 122.17 3miq s THR 113 Ca 0.02 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.11 3miq s THR 113 Cb -0.14 -1.72 0.09 0.00 0.01 0.00 0.00 72.50 70.74 3miq s THR 113 CO -0.09 0.53 0.06 -0.69 -0.69 0.00 0.00 174.62 173.74 3miq s VAL 114 N 0.75 2.65 -0.01 3.82 1.01 -1.26 -0.76 120.40 126.61 3miq s VAL 114 Ca -0.09 -2.01 -0.29 0.00 0.00 0.00 0.00 61.98 59.59 3miq s VAL 114 Cb -0.16 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.51 3miq s VAL 114 CO 0.00 -0.46 0.69 -0.94 0.00 0.00 0.00 175.10 174.39 3miq s SER 115 N 1.24 -0.61 0.00 3.32 1.04 -0.94 -4.37 113.70 113.38 3miq s SER 115 Ca 0.05 0.51 0.16 0.00 0.48 0.00 0.00 55.95 57.14 3miq s SER 115 Cb -0.20 0.53 0.93 0.00 0.10 0.00 0.00 66.02 67.38 3miq s SER 115 CO -0.05 -0.68 1.35 -1.54 0.98 0.00 0.00 173.24 173.29