#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtj n THR 3 N 0.00 -8.66 -2.94 12.58 -1.04 -1.26 -4.94 114.28 108.02 3gtj n THR 3 Ca 0.00 1.62 -0.20 0.00 -2.04 0.00 0.00 64.05 63.43 3gtj n THR 3 Cb 0.00 -5.34 0.02 0.00 -1.82 0.00 0.00 70.33 63.19 3gtj n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3gtj s PHE 4 N -0.90 2.96 0.28 -1.42 -0.12 -1.26 -5.08 117.98 112.44 3gtj s PHE 4 Ca -0.10 -0.10 0.06 0.00 -0.05 0.00 0.00 56.93 56.75 3gtj s PHE 4 Cb 0.01 -2.45 -0.06 0.00 -0.63 0.00 0.00 43.02 39.89 3gtj s PHE 4 CO 0.52 -0.52 -0.05 0.50 -0.05 0.00 0.00 175.22 175.62 3gtj s ARG 5 N -4.52 1.55 0.21 1.99 6.06 -1.26 -5.10 118.95 117.87 3gtj s ARG 5 Ca 0.53 -1.79 0.10 0.00 -2.50 0.00 0.00 55.73 52.07 3gtj s ARG 5 Cb -0.10 -1.11 -0.04 0.00 0.06 0.00 0.00 34.95 33.75 3gtj s ARG 5 CO 0.36 0.02 -0.14 -0.06 -2.50 0.00 0.00 175.30 172.97 3gtj s PHE 6 N -3.05 2.50 0.55 5.12 0.40 -1.26 -3.13 117.98 119.11 3gtj s PHE 6 Ca 0.30 -0.27 -0.16 0.00 -0.60 0.00 0.00 56.93 56.19 3gtj s PHE 6 Cb 0.04 -1.20 -0.06 0.00 0.51 0.00 0.00 43.02 42.31 3gtj s PHE 6 CO 0.12 0.55 1.01 0.00 0.70 0.00 0.00 175.22 177.60 3gtj n ARG 8 N -1.79 0.70 0.00 0.00 1.85 -1.26 -3.56 116.66 112.60 3gtj n ARG 8 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 3gtj n ARG 8 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 3gtj n ARG 8 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3gtj n ASP 9 N -1.26 0.00 0.18 2.89 8.00 -1.26 -2.18 116.55 122.91 3gtj n ASP 9 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3gtj n ASP 9 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 3gtj n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtj n ASN 11 N -5.18 -1.53 -0.10 0.00 4.05 -0.93 -5.09 115.26 106.49 3gtj n ASN 11 Ca -0.10 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.93 3gtj n ASN 11 Cb 0.26 -0.38 0.00 0.00 1.23 0.00 0.00 39.78 40.88 3gtj n ASN 11 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3gtj n ASN 12 N -1.00 1.79 -4.88 1.20 5.03 -1.26 -4.90 115.26 111.22 3gtj n ASN 12 Ca 0.00 -0.05 -0.29 0.00 0.87 0.00 0.00 54.58 55.11 3gtj n ASN 12 Cb 0.38 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.12 3gtj n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3gtj s MET 13 N 0.85 3.69 -0.13 3.52 1.75 -1.26 -3.15 119.30 124.58 3gtj s MET 13 Ca 0.00 0.39 -0.01 0.00 -1.25 0.00 0.00 55.69 54.82 3gtj s MET 13 Cb 0.00 -2.37 -0.02 0.00 2.84 0.00 0.00 34.83 35.27 3gtj s MET 13 CO 0.00 -0.11 -0.10 -0.51 -0.65 0.00 0.00 175.02 173.65 3gtj s LEU 14 N -4.19 2.91 -0.26 4.11 1.43 -1.18 -4.37 118.68 117.13 3gtj s LEU 14 Ca 0.50 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 3gtj s LEU 14 Cb -0.10 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.48 3gtj s LEU 14 CO 0.37 0.19 -0.03 -0.31 0.23 0.00 0.00 176.35 176.79 3gtj s TYR 15 N 0.20 3.10 0.99 0.29 1.51 -0.83 -4.76 117.35 117.86 3gtj s TYR 15 Ca -0.06 -1.52 -0.17 0.00 -1.01 0.00 0.00 57.07 54.32 3gtj s TYR 15 Cb -0.15 -2.09 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 3gtj s TYR 15 CO 0.04 -0.72 -0.32 -2.30 -1.11 0.00 0.00 175.55 171.15 3gtj n PRO 16 N 4.69 -0.28 -3.59 -1.71 -0.02 -1.26 -3.79 135.00 129.03 3gtj n PRO 16 Ca -0.16 -0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.14 3gtj n PRO 16 Cb 0.47 -1.41 -0.06 0.00 -0.02 0.00 0.00 33.50 32.47 3gtj n PRO 16 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3gtj s ARG 17 N -2.80 0.70 -0.02 -0.52 3.52 -0.13 -4.94 118.95 114.75 3gtj s ARG 17 Ca 0.48 0.45 -0.14 0.00 -0.13 0.00 0.00 55.73 56.40 3gtj s ARG 17 Cb -0.16 0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 33.51 3gtj s ARG 17 CO 0.73 -0.16 0.37 -2.00 -0.81 0.00 0.00 175.30 173.43 3gtj s GLU 18 N -0.45 3.86 -0.54 5.12 2.12 -1.26 -1.68 118.70 125.87 3gtj s GLU 18 Ca -0.02 0.33 -0.26 0.00 0.36 0.00 0.00 54.97 55.38 3gtj s GLU 18 Cb -0.03 -3.22 0.03 0.00 0.26 0.00 0.00 34.13 31.17 3gtj s GLU 18 CO 0.01 0.69 1.04 0.34 -0.54 0.00 0.00 175.26 176.79 3gtj s ASP 19 N -1.00 6.43 0.25 -1.70 2.15 0.60 -4.93 116.67 118.46 3gtj s ASP 19 Ca 0.22 -0.05 -0.04 0.00 0.43 0.00 0.00 52.55 53.12 3gtj s ASP 19 Cb -0.16 -2.49 0.47 0.00 -0.30 0.00 0.00 42.92 40.44 3gtj s ASP 19 CO 0.12 -1.28 1.74 0.11 -0.17 0.00 0.00 175.17 175.69 3gtj h LYS 20 N 9.34 0.49 0.00 4.34 1.79 -1.97 -2.49 116.57 128.06 3gtj h LYS 20 Ca -0.25 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3gtj h LYS 20 Cb 1.07 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 3gtj h LYS 20 CO 1.11 0.32 0.00 0.39 -1.08 0.00 0.00 179.45 180.19 3gtj n GLU 21 N -4.96 0.00 -0.05 3.15 1.02 -1.26 -4.41 120.64 114.13 3gtj n GLU 21 Ca 0.15 0.35 0.11 0.00 -0.02 0.00 0.00 57.16 57.75 3gtj n GLU 21 Cb 0.41 -0.94 0.45 0.00 -0.02 0.00 0.00 31.44 31.33 3gtj n GLU 21 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3gtj n ASN 22 N -1.56 1.36 -2.96 1.62 5.15 -1.26 -4.98 115.26 112.64 3gtj n ASN 22 Ca 0.00 -1.61 -0.13 0.00 -0.60 0.00 0.00 54.58 52.25 3gtj n ASN 22 Cb 0.00 -0.07 0.01 0.00 -0.53 0.00 0.00 39.78 39.20 3gtj n ASN 22 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gtj n ASN 23 N 0.10 -7.56 -3.36 1.20 3.02 -0.94 -5.07 115.26 102.66 3gtj n ASN 23 Ca 0.17 0.47 -0.11 0.00 -0.03 0.00 0.00 54.58 55.07 3gtj n ASN 23 Cb 0.29 -4.76 -0.02 0.00 -0.61 0.00 0.00 39.78 34.68 3gtj n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gtj s ARG 24 N -2.53 1.93 -0.19 3.52 1.70 -1.25 -4.95 118.95 117.19 3gtj s ARG 24 Ca 0.26 -1.48 -0.06 0.00 -0.47 0.00 0.00 55.73 53.99 3gtj s ARG 24 Cb -0.06 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.81 3gtj s ARG 24 CO 0.78 -0.85 0.02 -1.17 -1.08 0.00 0.00 175.30 173.00 3gtj s LEU 25 N -3.11 3.45 -0.04 -1.89 2.96 -1.26 -0.29 118.68 118.50 3gtj s LEU 25 Ca 0.22 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 3gtj s LEU 25 Cb -0.03 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.80 3gtj s LEU 25 CO 0.14 0.12 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.40 3gtj s LEU 26 N 0.69 1.77 0.32 -0.68 1.43 -0.68 -1.77 118.68 119.76 3gtj s LEU 26 Ca 0.01 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 3gtj s LEU 26 Cb -0.14 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 3gtj s LEU 26 CO 0.02 0.08 0.39 -0.36 0.23 0.00 0.00 176.35 176.70 3gtj s PHE 27 N 0.32 3.08 -0.25 0.29 0.40 -0.79 -0.96 117.98 120.07 3gtj s PHE 27 Ca -0.07 -0.22 -0.33 0.00 -0.60 0.00 0.00 56.93 55.71 3gtj s PHE 27 Cb -0.12 -1.86 0.16 0.00 0.51 0.00 0.00 43.02 41.72 3gtj s PHE 27 CO 0.02 0.13 1.29 -1.83 0.70 0.00 0.00 175.22 175.53 3gtj s GLU 28 N -4.08 0.17 -0.02 0.44 4.04 -1.25 -2.32 118.70 115.69 3gtj s GLU 28 Ca 0.42 -0.01 -0.08 0.00 0.04 0.00 0.00 54.97 55.33 3gtj s GLU 28 Cb -0.08 0.08 -0.05 0.00 0.02 0.00 0.00 34.13 34.10 3gtj s GLU 28 CO 0.29 -0.06 0.27 0.00 -1.84 0.00 0.00 175.26 173.92 3gtj n ARG 30 N 1.42 1.31 0.00 0.00 1.85 -1.26 -4.04 116.66 115.94 3gtj n ARG 30 Ca -0.13 -0.35 0.00 0.00 -1.00 0.00 0.00 57.85 56.37 3gtj n ARG 30 Cb 0.53 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.55 3gtj n ARG 30 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3gtj n THR 31 N 0.18 0.00 0.00 8.89 -1.04 -1.26 -5.01 114.28 116.04 3gtj n THR 31 Ca 0.05 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 3gtj n THR 31 Cb 0.48 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 3gtj n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtj n SER 33 N -1.43 0.00 -4.31 0.00 7.64 -1.26 -5.09 113.62 109.16 3gtj n SER 33 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 3gtj n SER 33 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3gtj n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtj n TYR 34 N 0.00 -0.85 -3.65 1.43 9.36 -1.26 -4.77 117.16 117.42 3gtj n TYR 34 Ca 0.00 0.88 -0.18 0.00 3.32 0.00 0.00 57.90 61.92 3gtj n TYR 34 Cb 0.00 -1.89 -0.16 0.00 -0.63 0.00 0.00 39.34 36.66 3gtj n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3gtj s VAL 35 N -1.14 -0.23 0.18 2.97 1.01 -1.26 -3.50 120.40 118.44 3gtj s VAL 35 Ca 0.62 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.98 3gtj s VAL 35 Cb -0.85 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3gtj s VAL 35 CO 0.57 0.11 0.04 -1.83 0.00 0.00 0.00 175.10 173.99 3gtj s GLU 36 N 2.26 2.55 0.66 2.72 -1.05 -0.98 -4.96 118.70 119.90 3gtj s GLU 36 Ca 0.04 -1.06 -0.11 0.00 -0.15 0.00 0.00 54.97 53.68 3gtj s GLU 36 Cb -0.12 -2.43 -0.02 0.00 -0.44 0.00 0.00 34.13 31.12 3gtj s GLU 36 CO -0.06 0.45 1.05 -1.83 0.95 0.00 0.00 175.26 175.82 3gtj s GLU 37 N -3.08 3.26 0.52 -4.83 -1.05 -1.26 -1.89 118.70 110.38 3gtj s GLU 37 Ca 0.29 0.82 -0.09 0.00 -0.15 0.00 0.00 54.97 55.84 3gtj s GLU 37 Cb -0.09 -2.04 -0.05 0.00 -0.44 0.00 0.00 34.13 31.52 3gtj s GLU 37 CO 0.20 -0.83 0.89 0.00 0.95 0.00 0.00 175.26 176.47 3gtj s ALA 38 N -3.13 3.26 -0.04 -0.84 0.00 -0.73 -4.84 121.76 115.44 3gtj s ALA 38 Ca 0.56 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 3gtj s ALA 38 Cb -0.12 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 3gtj s ALA 38 CO 0.54 -0.41 -0.08 0.41 0.00 0.00 0.00 175.76 176.23 3gtj n GLY 39 N -2.23 -0.50 3.69 0.00 0.00 -1.26 -5.04 105.19 99.85 3gtj n GLY 39 Ca 0.03 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3gtj n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtj s SER 40 N -4.41 5.14 0.27 1.61 1.04 -1.26 -5.01 113.70 111.08 3gtj s SER 40 Ca -0.06 -0.01 0.20 0.00 0.48 0.00 0.00 55.95 56.55 3gtj s SER 40 Cb 0.01 -1.34 0.99 0.00 0.10 0.00 0.00 66.02 65.78 3gtj s SER 40 CO 0.09 0.27 1.60 -2.65 0.98 0.00 0.00 173.24 173.53 3gtj n PRO 41 N 1.30 0.13 -2.03 4.02 -0.02 -1.26 -4.70 135.00 132.45 3gtj n PRO 41 Ca -0.14 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 3gtj n PRO 41 Cb 0.53 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 3gtj n PRO 41 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gtj s LEU 42 N -4.31 3.62 -0.17 2.45 2.96 -1.26 -4.87 118.68 117.10 3gtj s LEU 42 Ca -0.00 1.40 0.04 0.00 -0.22 0.00 0.00 54.13 55.35 3gtj s LEU 42 Cb 0.06 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.10 3gtj s LEU 42 CO 0.22 -1.58 -0.12 0.52 -1.32 0.00 0.00 176.35 174.08 3gtj n VAL 43 N 7.14 1.02 -3.92 1.68 0.31 -1.26 -4.94 118.33 118.35 3gtj n VAL 43 Ca 0.22 -0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 64.01 3gtj n VAL 43 Cb 0.46 -1.03 -0.12 0.00 -0.91 0.00 0.00 33.84 32.24 3gtj n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3gtj s TYR 44 N -2.36 0.12 -0.18 3.52 5.04 -1.26 -5.01 117.35 117.22 3gtj s TYR 44 Ca -0.21 -0.24 -0.11 0.00 -2.44 0.00 0.00 57.07 54.08 3gtj s TYR 44 Cb 0.06 -0.09 0.06 0.00 0.35 0.00 0.00 41.96 42.34 3gtj s TYR 44 CO 0.45 -0.13 0.45 0.50 -1.34 0.00 0.00 175.55 175.48 3gtj s ARG 45 N -0.85 0.44 -0.21 4.97 3.52 -1.26 -5.06 118.95 120.50 3gtj s ARG 45 Ca -0.09 0.84 -0.16 0.00 -0.13 0.00 0.00 55.73 56.19 3gtj s ARG 45 Cb -0.06 0.02 -0.09 0.00 -1.56 0.00 0.00 34.95 33.25 3gtj s ARG 45 CO -0.00 -0.15 -0.26 1.58 -0.81 0.00 0.00 175.30 175.65 3gtj n HIS 46 N 4.18 0.25 -1.98 5.12 -0.00 -1.26 -5.05 115.22 116.49 3gtj n HIS 46 Ca -0.22 0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 3gtj n HIS 46 Cb 0.56 -0.79 0.00 0.00 -0.00 0.00 0.00 29.99 29.76 3gtj n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3gtj n GLU 47 N -4.40 -4.31 -0.06 1.57 1.02 -1.26 -5.00 120.64 108.20 3gtj n GLU 47 Ca -0.30 3.03 -0.08 0.00 -0.02 0.00 0.00 57.16 59.79 3gtj n GLU 47 Cb 0.64 -3.42 -0.07 0.00 -0.02 0.00 0.00 31.44 28.56 3gtj n GLU 47 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gtj n LEU 48 N 1.87 1.81 -4.31 -4.62 4.77 -1.26 -4.85 117.00 110.41 3gtj n LEU 48 Ca 0.00 -0.05 -0.39 0.00 -0.03 0.00 0.00 56.01 55.55 3gtj n LEU 48 Cb 0.00 -0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 40.78 3gtj n LEU 48 CO 0.00 0.55 -0.22 -0.63 -1.33 0.00 0.00 177.39 175.77 3gtj s ILE 49 N -2.27 4.07 -0.21 -0.08 1.01 -1.26 -5.10 121.20 117.36 3gtj s ILE 49 Ca -0.14 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.44 3gtj s ILE 49 Cb 0.04 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.22 3gtj s ILE 49 CO 0.37 -0.22 -0.12 -0.89 0.00 0.00 0.00 174.94 174.09 3gtj s THR 50 N 1.45 2.69 -0.71 2.92 2.01 -1.26 -5.00 115.64 117.74 3gtj s THR 50 Ca -0.00 -0.80 0.23 0.00 0.31 0.00 0.00 61.69 61.43 3gtj s THR 50 Cb -0.20 -2.22 0.23 0.00 0.01 0.00 0.00 72.50 70.32 3gtj s THR 50 CO 0.04 0.43 1.71 0.59 -0.69 0.00 0.00 174.62 176.69 3gtj n ASN 51 N 4.69 0.49 -4.88 3.53 4.13 -1.26 -4.83 115.26 117.13 3gtj n ASN 51 Ca -0.19 0.59 -0.28 0.00 1.68 0.00 0.00 54.58 56.38 3gtj n ASN 51 Cb 0.50 -0.71 -0.04 0.00 -1.54 0.00 0.00 39.78 37.99 3gtj n ASN 51 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3gtj s ILE 52 N -3.16 5.06 0.00 2.41 1.10 -1.26 -4.23 121.20 121.12 3gtj s ILE 52 Ca 0.08 -0.68 0.00 0.00 -0.51 0.00 0.00 60.65 59.53 3gtj s ILE 52 Cb 0.11 -3.54 0.00 0.00 0.15 0.00 0.00 42.46 39.19 3gtj s ILE 52 CO 0.44 0.01 0.00 0.61 -2.11 0.00 0.00 174.94 173.89 3gtj n GLY 53 N -0.10 2.72 0.37 1.50 0.00 -1.26 -4.96 105.19 103.46 3gtj n GLY 53 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 3gtj n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gtj h GLU 54 N 1.15 0.96 -2.80 1.61 5.08 -1.90 -3.30 114.58 115.38 3gtj h GLU 54 Ca 0.00 -0.06 -0.61 0.00 -1.00 0.00 0.00 59.36 57.69 3gtj h GLU 54 Cb 0.00 -0.22 -0.40 0.00 0.50 0.00 0.00 28.75 28.63 3gtj h GLU 54 CO 0.00 0.64 -0.76 0.99 -1.00 0.00 0.00 179.01 178.88 3gtj s THR 55 N -5.93 1.65 0.47 1.13 2.01 -1.26 -1.51 115.64 112.20 3gtj s THR 55 Ca -0.12 -3.34 0.07 0.00 0.31 0.00 0.00 61.69 58.61 3gtj s THR 55 Cb 0.22 -2.11 -0.00 0.00 0.01 0.00 0.00 72.50 70.62 3gtj s THR 55 CO 0.81 -1.07 0.35 0.00 -0.69 0.00 0.00 174.62 174.01 3gtj s ALA 56 N -0.54 4.11 0.00 7.40 0.00 -1.26 -4.74 121.76 126.73 3gtj s ALA 56 Ca 0.26 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3gtj s ALA 56 Cb -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.31 3gtj s ALA 56 CO -0.15 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3gtj n GLY 57 N -1.57 0.04 3.68 0.00 0.00 -1.26 -4.94 105.19 101.14 3gtj n GLY 57 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gtj n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtj s VAL 58 N -1.10 3.92 0.00 1.61 1.01 -1.26 -4.99 120.40 119.59 3gtj s VAL 58 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3gtj s VAL 58 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3gtj s VAL 58 CO 0.00 -0.03 0.00 0.52 0.00 0.00 0.00 175.10 175.59 3gtj n VAL 59 N 4.81 0.00 0.45 2.92 0.31 -1.26 -5.03 118.33 120.54 3gtj n VAL 59 Ca 0.13 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.53 3gtj n VAL 59 Cb 0.44 -0.14 0.08 0.00 -0.91 0.00 0.00 33.84 33.32 3gtj n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3gtj n GLN 60 N 0.00 1.31 -0.30 5.55 -0.06 -1.26 -4.53 117.38 118.08 3gtj n GLN 60 Ca 0.00 -1.50 0.09 0.00 -2.00 0.00 0.00 57.00 53.59 3gtj n GLN 60 Cb 0.00 -1.29 0.22 0.00 -4.06 0.00 0.00 30.24 25.11 3gtj n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3gtj n ASP 61 N 0.80 3.31 0.07 1.69 9.92 -1.26 -4.72 116.55 126.37 3gtj n ASP 61 Ca 0.09 -3.04 -0.13 0.00 -0.53 0.00 0.00 54.79 51.18 3gtj n ASP 61 Cb 0.38 -0.50 -0.14 0.00 -0.64 0.00 0.00 41.12 40.22 3gtj n ASP 61 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3gtj h ILE 62 N 1.14 1.41 0.00 0.53 2.10 -1.95 -3.36 117.51 117.38 3gtj h ILE 62 Ca 0.00 -3.06 0.00 0.00 1.08 0.00 0.00 64.86 62.88 3gtj h ILE 62 Cb 1.28 2.84 0.00 0.00 -1.09 0.00 0.00 36.82 39.84 3gtj h ILE 62 CO 0.14 0.87 0.00 0.61 -1.08 0.00 0.00 178.15 178.69 3gtj n GLY 63 N 1.53 1.28 0.00 8.18 0.00 -1.26 -2.32 105.19 112.60 3gtj n GLY 63 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3gtj n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtj n SER 64 N 1.54 0.17 -4.68 1.61 3.41 -1.26 -5.06 113.62 109.35 3gtj n SER 64 Ca 0.00 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 58.12 3gtj n SER 64 Cb 0.22 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 3gtj n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gtj n ASP 65 N -1.25 3.36 0.13 4.04 2.03 -0.98 -4.89 116.55 118.99 3gtj n ASP 65 Ca 0.00 0.99 0.01 0.00 0.52 0.00 0.00 54.79 56.30 3gtj n ASP 65 Cb 0.02 -1.36 0.04 0.00 -0.72 0.00 0.00 41.12 39.09 3gtj n ASP 65 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gtj h PRO 66 N 8.81 0.00 0.00 -0.67 0.11 -1.97 -3.31 132.00 134.97 3gtj h PRO 66 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gtj h PRO 66 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gtj h PRO 66 CO 0.94 0.61 0.00 0.25 -0.21 0.00 0.00 178.00 179.59 3gtj n THR 67 N -3.31 0.00 -4.46 -1.15 -2.24 -1.26 -4.75 114.28 97.10 3gtj n THR 67 Ca 0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.45 3gtj n THR 67 Cb 0.75 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 3gtj n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gtj s LEU 68 N -1.96 3.30 0.58 3.22 1.43 -1.25 -5.11 118.68 118.89 3gtj s LEU 68 Ca 0.23 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.12 3gtj s LEU 68 Cb 0.11 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3gtj s LEU 68 CO 0.18 0.27 1.14 -2.84 0.23 0.00 0.00 176.35 175.33 3gtj s PRO 69 N -0.27 3.12 -0.14 1.29 0.02 -1.26 -4.93 135.00 132.83 3gtj s PRO 69 Ca 0.05 1.60 -0.00 0.00 0.02 0.00 0.00 61.00 62.67 3gtj s PRO 69 Cb -0.13 -1.97 0.03 0.00 0.02 0.00 0.00 34.50 32.45 3gtj s PRO 69 CO 0.02 -1.03 -0.10 1.03 -0.33 0.00 0.00 177.00 176.59 3gtj s ARG 70 N -3.50 1.88 0.55 5.54 0.52 -1.26 -3.22 118.95 119.45 3gtj s ARG 70 Ca 0.72 -0.47 0.07 0.00 -0.52 0.00 0.00 55.73 55.53 3gtj s ARG 70 Cb -0.24 -1.94 0.05 0.00 0.52 0.00 0.00 34.95 33.34 3gtj s ARG 70 CO 0.32 -0.29 0.54 -1.54 0.02 0.00 0.00 175.30 174.35 3gtj s SER 71 N 1.58 4.82 -0.47 0.23 1.04 -1.23 -5.04 113.70 114.62 3gtj s SER 71 Ca 0.04 -1.08 0.03 0.00 0.48 0.00 0.00 55.95 55.42 3gtj s SER 71 Cb -0.13 0.33 0.58 0.00 0.10 0.00 0.00 66.02 66.89 3gtj s SER 71 CO -0.09 -1.17 1.84 -0.90 0.98 0.00 0.00 173.24 173.90 3gtj n ASP 72 N -1.93 4.60 -4.19 7.02 5.75 -1.26 -4.56 116.55 121.98 3gtj n ASP 72 Ca 0.05 -3.69 -0.30 0.00 -0.01 0.00 0.00 54.79 50.84 3gtj n ASP 72 Cb 0.63 -0.82 0.20 0.00 -1.03 0.00 0.00 41.12 40.10 3gtj n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3gtj s ARG 73 N -3.44 -0.07 0.01 0.11 1.81 -1.26 -5.01 118.95 111.11 3gtj s ARG 73 Ca 0.57 -0.03 0.02 0.00 -1.72 0.00 0.00 55.73 54.57 3gtj s ARG 73 Cb 0.47 -1.73 -0.01 0.00 -0.45 0.00 0.00 34.95 33.23 3gtj s ARG 73 CO 0.06 -2.95 -0.07 -2.00 -0.68 0.00 0.00 175.30 169.66 3gtj s GLU 74 N -5.47 0.51 -0.13 3.54 2.12 -1.26 -4.22 118.70 113.79 3gtj s GLU 74 Ca 0.70 -0.40 -0.27 0.00 0.36 0.00 0.00 54.97 55.36 3gtj s GLU 74 Cb -0.10 -0.43 -0.02 0.00 0.26 0.00 0.00 34.13 33.85 3gtj s GLU 74 CO 0.55 0.11 0.90 0.00 -0.54 0.00 0.00 175.26 176.27 3gtj n PRO 76 N 4.97 0.09 -0.06 0.00 -0.02 -1.26 -2.27 135.00 136.44 3gtj n PRO 76 Ca 0.06 0.15 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 3gtj n PRO 76 Cb 0.49 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.43 3gtj n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gtj n LYS 77 N -1.18 0.33 -0.06 -0.52 5.02 -1.26 -4.94 118.16 115.55 3gtj n LYS 77 Ca 0.02 0.14 -0.04 0.00 -2.02 0.00 0.00 58.31 56.41 3gtj n LYS 77 Cb 0.03 -1.06 -0.01 0.00 -0.02 0.00 0.00 35.03 33.96 3gtj n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gtj n HIS 79 N -4.28 0.00 -3.35 0.00 8.25 -0.96 -4.99 115.22 109.88 3gtj n HIS 79 Ca -0.06 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.01 3gtj n HIS 79 Cb 0.24 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.27 3gtj n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3gtj s SER 80 N -2.00 6.50 0.00 0.41 1.04 -1.26 -4.82 113.70 113.57 3gtj s SER 80 Ca 0.00 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.02 3gtj s SER 80 Cb 0.00 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.87 3gtj s SER 80 CO 0.00 -0.08 1.21 0.54 0.98 0.00 0.00 173.24 175.89 3gtj n ARG 81 N 4.39 0.95 -4.80 4.02 1.74 -1.26 -3.99 116.66 117.71 3gtj n ARG 81 Ca -0.07 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.67 3gtj n ARG 81 Cb 0.51 -1.02 -0.12 0.00 -1.02 0.00 0.00 32.46 30.80 3gtj n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3gtj s GLU 82 N 0.06 2.57 0.00 5.56 0.41 -1.26 -4.74 118.70 121.30 3gtj s GLU 82 Ca 0.00 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.91 3gtj s GLU 82 Cb 0.00 -2.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.91 3gtj s GLU 82 CO 0.00 0.64 0.00 0.27 -0.49 0.00 0.00 175.26 175.68 3gtj n ASN 83 N 2.26 0.00 -4.41 -0.19 2.04 -1.26 -3.26 115.26 110.44 3gtj n ASN 83 Ca -0.17 0.00 -0.21 0.00 -0.44 0.00 0.00 54.58 53.76 3gtj n ASN 83 Cb 0.52 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.67 3gtj n ASN 83 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3gtj s VAL 84 N -2.00 1.83 0.27 3.53 0.11 -1.24 -3.53 120.40 119.36 3gtj s VAL 84 Ca 0.00 -2.20 -0.10 0.00 -2.93 0.00 0.00 61.98 56.75 3gtj s VAL 84 Cb 0.00 -2.30 -0.00 0.00 -1.53 0.00 0.00 36.38 32.55 3gtj s VAL 84 CO 0.00 -0.41 0.46 0.72 -3.33 0.00 0.00 175.10 172.54 3gtj s PHE 85 N -2.91 0.54 -0.25 1.54 -0.12 -1.20 -0.41 117.98 115.18 3gtj s PHE 85 Ca 0.27 -0.88 -0.32 0.00 -0.05 0.00 0.00 56.93 55.95 3gtj s PHE 85 Cb 0.01 0.11 0.17 0.00 -0.63 0.00 0.00 43.02 42.67 3gtj s PHE 85 CO 0.11 -1.01 1.30 -0.59 -0.05 0.00 0.00 175.22 174.97 3gtj s PHE 86 N -3.79 -0.09 0.89 3.49 -0.12 -1.16 -4.51 117.98 112.69 3gtj s PHE 86 Ca 0.25 0.11 -0.12 0.00 -0.05 0.00 0.00 56.93 57.12 3gtj s PHE 86 Cb -0.00 0.50 0.12 0.00 -0.63 0.00 0.00 43.02 43.01 3gtj s PHE 86 CO 0.11 -0.10 1.14 -0.65 -0.05 0.00 0.00 175.22 175.67 3gtj s GLN 87 N -1.49 1.33 -0.51 1.99 -0.21 -1.26 -1.43 119.66 118.08 3gtj s GLN 87 Ca 0.08 0.31 -0.34 0.00 0.02 0.00 0.00 55.36 55.43 3gtj s GLN 87 Cb -0.01 -1.86 -0.13 0.00 1.00 0.00 0.00 33.01 32.01 3gtj s GLN 87 CO -0.05 -2.07 2.32 0.45 -2.12 0.00 0.00 175.29 173.81 3gtj n SER 88 N -3.68 1.67 0.31 5.90 2.88 -1.25 -4.80 113.62 114.65 3gtj n SER 88 Ca 0.07 0.25 0.14 0.00 -1.33 0.00 0.00 58.87 58.00 3gtj n SER 88 Cb 0.59 -1.21 0.76 0.00 -0.75 0.00 0.00 64.21 63.60 3gtj n SER 88 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3gtj h GLN 89 N 13.12 0.00 -5.91 -1.46 1.08 -1.52 -3.38 115.11 117.04 3gtj h GLN 89 Ca -0.21 0.00 -0.42 0.00 -1.45 0.00 0.00 58.65 56.57 3gtj h GLN 89 Cb 1.32 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.69 3gtj h GLN 89 CO 1.12 0.00 1.05 -1.14 -0.95 0.00 0.00 178.83 178.91 3gtj s GLN 90 N -4.00 2.91 -1.10 1.46 0.74 -1.24 -4.90 119.66 113.52 3gtj s GLN 90 Ca -0.03 -0.42 -0.19 0.00 0.05 0.00 0.00 55.36 54.78 3gtj s GLN 90 Cb 0.08 -5.00 -0.06 0.00 1.10 0.00 0.00 33.01 29.12 3gtj s GLN 90 CO 0.25 -2.88 2.04 0.54 -0.55 0.00 0.00 175.29 174.69 3gtj n ARG 91 N 8.94 2.15 -3.36 1.67 5.12 -1.26 -4.90 116.66 125.01 3gtj n ARG 91 Ca 0.33 -2.27 -0.20 0.00 -1.93 0.00 0.00 57.85 53.78 3gtj n ARG 91 Cb 0.49 -3.15 -0.00 0.00 -1.16 0.00 0.00 32.46 28.64 3gtj n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3gtj s ARG 92 N 4.33 2.54 -0.02 5.56 3.52 -1.26 -5.06 118.95 128.55 3gtj s ARG 92 Ca 0.54 -1.54 -0.09 0.00 -0.13 0.00 0.00 55.73 54.51 3gtj s ARG 92 Cb 0.13 -2.49 -0.31 0.00 -1.56 0.00 0.00 34.95 30.72 3gtj s ARG 92 CO 0.03 -0.39 0.78 0.87 -0.81 0.00 0.00 175.30 175.79 3gtj h LYS 93 N 0.74 0.38 -0.63 5.12 1.57 -2.04 -3.36 116.57 118.33 3gtj h LYS 93 Ca -0.38 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 57.76 3gtj h LYS 93 Cb 1.28 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.83 3gtj h LYS 93 CO 0.51 1.28 0.00 -0.40 -0.57 0.00 0.00 179.45 180.27 3gtj n ASP 94 N -3.57 4.99 -3.93 0.86 5.75 -1.26 -4.98 116.55 114.41 3gtj n ASP 94 Ca -0.21 -2.63 -0.30 0.00 -0.01 0.00 0.00 54.79 51.64 3gtj n ASP 94 Cb 1.07 -0.62 0.22 0.00 -1.03 0.00 0.00 41.12 40.77 3gtj n ASP 94 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3gtj s THR 95 N -2.21 1.70 0.29 2.12 2.01 -1.26 -5.06 115.64 113.23 3gtj s THR 95 Ca 0.50 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.57 3gtj s THR 95 Cb 0.35 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 3gtj s THR 95 CO 0.20 0.00 0.32 -0.94 -0.69 0.00 0.00 174.62 173.50 3gtj s SER 96 N -4.05 5.72 -0.46 3.53 1.04 -1.26 -5.04 113.70 113.17 3gtj s SER 96 Ca 0.71 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.93 3gtj s SER 96 Cb -0.09 -1.34 0.65 0.00 0.10 0.00 0.00 66.02 65.34 3gtj s SER 96 CO 0.55 -0.22 1.92 0.80 0.98 0.00 0.00 173.24 177.28 3gtj n MET 97 N -1.38 2.27 -2.89 4.02 1.56 -1.26 -4.53 117.12 114.90 3gtj n MET 97 Ca -0.05 -3.01 -0.32 0.00 -0.27 0.00 0.00 57.70 54.06 3gtj n MET 97 Cb 0.58 -2.18 -0.05 0.00 2.15 0.00 0.00 33.22 33.72 3gtj n MET 97 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3gtj s VAL 98 N -3.37 4.63 0.24 1.12 1.01 -1.26 -4.98 120.40 117.80 3gtj s VAL 98 Ca 0.57 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 63.50 3gtj s VAL 98 Cb 0.48 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 3gtj s VAL 98 CO 0.10 -0.37 0.51 -0.76 0.00 0.00 0.00 175.10 174.57 3gtj s LEU 99 N -3.41 4.14 -0.28 3.92 1.43 -1.26 -3.85 118.68 119.37 3gtj s LEU 99 Ca 0.56 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 3gtj s LEU 99 Cb -0.10 -3.50 0.08 0.00 0.03 0.00 0.00 46.19 42.70 3gtj s LEU 99 CO 0.22 -0.11 0.02 -0.36 0.23 0.00 0.00 176.35 176.36 3gtj s PHE 100 N -1.92 2.38 0.17 0.29 0.40 -0.51 -2.82 117.98 115.97 3gtj s PHE 100 Ca 0.44 -1.96 -0.07 0.00 -0.60 0.00 0.00 56.93 54.73 3gtj s PHE 100 Cb -0.11 -1.88 -0.06 0.00 0.51 0.00 0.00 43.02 41.48 3gtj s PHE 100 CO 0.27 -0.83 0.44 -0.06 0.70 0.00 0.00 175.22 175.74 3gtj s PHE 101 N 1.39 3.47 -0.44 0.36 0.40 0.90 -2.99 117.98 121.06 3gtj s PHE 101 Ca 0.03 0.70 0.02 0.00 -0.60 0.00 0.00 56.93 57.09 3gtj s PHE 101 Cb -0.18 -2.12 0.12 0.00 0.51 0.00 0.00 43.02 41.35 3gtj s PHE 101 CO -0.13 0.38 0.19 0.08 0.70 0.00 0.00 175.22 176.44 3gtj s VAL 102 N -1.69 2.68 -0.33 -0.44 1.01 0.46 -1.35 120.40 120.74 3gtj s VAL 102 Ca 0.42 -2.73 -0.43 0.00 0.00 0.00 0.00 61.98 59.24 3gtj s VAL 102 Cb -0.12 -2.88 -0.18 0.00 0.00 0.00 0.00 36.38 33.20 3gtj s VAL 102 CO 0.23 -0.71 1.62 0.00 0.00 0.00 0.00 175.10 176.23 3gtj n LEU 104 N 4.38 2.19 -4.55 0.00 7.99 -1.20 -2.60 117.00 123.21 3gtj n LEU 104 Ca 0.27 0.32 -0.42 0.00 -0.01 0.00 0.00 56.01 56.17 3gtj n LEU 104 Cb 0.05 -1.02 -0.01 0.00 -0.11 0.00 0.00 43.42 42.33 3gtj n LEU 104 CO 0.82 0.53 1.63 -0.44 -1.51 0.00 0.00 177.39 178.42 3gtj s SER 105 N -6.96 6.70 0.00 -1.43 0.01 -1.26 -3.93 113.70 106.83 3gtj s SER 105 Ca -0.27 -2.04 0.00 0.00 1.31 0.00 0.00 55.95 54.95 3gtj s SER 105 Cb 0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3gtj s SER 105 CO 0.66 -1.26 0.00 0.00 0.41 0.00 0.00 173.24 173.04 3gtj n SER 107 N 0.00 -1.06 -4.14 0.00 7.64 -1.07 -5.12 113.62 109.86 3gtj n SER 107 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3gtj n SER 107 Cb 0.00 -0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 62.57 3gtj n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3gtj s HIS 108 N 0.00 0.85 -0.06 1.43 5.65 -1.20 -4.95 115.29 117.01 3gtj s HIS 108 Ca 0.00 -1.22 -0.00 0.00 0.25 0.00 0.00 55.06 54.08 3gtj s HIS 108 Cb 0.00 -0.47 0.03 0.00 -1.18 0.00 0.00 32.58 30.96 3gtj s HIS 108 CO 0.00 -0.53 -0.02 0.42 -0.65 0.00 0.00 174.74 173.96 3gtj s ILE 109 N -4.05 0.48 0.23 0.89 1.09 -1.26 -1.76 121.20 116.82 3gtj s ILE 109 Ca 0.24 -0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.79 3gtj s ILE 109 Cb 0.07 -0.57 -0.04 0.00 -1.06 0.00 0.00 42.46 40.86 3gtj s ILE 109 CO 0.02 0.25 0.13 0.72 -0.10 0.00 0.00 174.94 175.96 3gtj s PHE 110 N 1.53 1.31 0.18 3.97 -0.12 -0.46 -5.01 117.98 119.39 3gtj s PHE 110 Ca -0.01 -1.35 0.02 0.00 -0.05 0.00 0.00 56.93 55.53 3gtj s PHE 110 Cb -0.13 -0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 41.55 3gtj s PHE 110 CO -0.03 -0.58 0.00 0.99 -0.05 0.00 0.00 175.22 175.55 3gtj s THR 111 N -3.99 0.73 -0.72 -4.49 2.01 -1.26 -0.07 115.64 107.85 3gtj s THR 111 Ca 0.39 -1.99 0.22 0.00 0.31 0.00 0.00 61.69 60.61 3gtj s THR 111 Cb 0.07 -2.17 -0.22 0.00 0.01 0.00 0.00 72.50 70.19 3gtj s THR 111 CO 0.14 -0.44 0.85 -1.54 -0.69 0.00 0.00 174.62 172.94 3gtj n SER 112 N -0.27 0.69 -4.57 3.53 3.41 -1.13 -4.93 113.62 110.35 3gtj n SER 112 Ca -0.06 -0.61 -0.45 0.00 -0.26 0.00 0.00 58.87 57.49 3gtj n SER 112 Cb 0.63 1.15 -0.04 0.00 -0.26 0.00 0.00 64.21 65.69 3gtj n SER 112 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gtj n ASP 113 N -1.74 3.03 0.08 4.04 -0.08 -1.26 -4.88 116.55 115.74 3gtj n ASP 113 Ca 0.02 0.30 -0.11 0.00 -1.51 0.00 0.00 54.79 53.49 3gtj n ASP 113 Cb 0.40 -1.48 -0.09 0.00 2.34 0.00 0.00 41.12 42.29 3gtj n ASP 113 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 3gtj h GLN 114 N 14.10 0.17 0.00 -0.67 4.20 -2.03 -3.46 115.11 127.43 3gtj h GLN 114 Ca -0.38 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.08 3gtj h GLN 114 Cb 1.26 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.13 3gtj h GLN 114 CO 0.97 1.07 0.00 1.63 -0.67 0.00 0.00 178.83 181.84 3gtj n LYS 115 N -3.52 1.04 -2.22 1.46 4.76 -1.26 -5.01 118.16 113.41 3gtj n LYS 115 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 3gtj n LYS 115 Cb 0.93 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.12 3gtj n LYS 115 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gtj n ASN 116 N -2.59 -7.27 -4.75 4.39 4.13 -1.26 -4.93 115.26 102.98 3gtj n ASN 116 Ca 0.00 1.61 -0.37 0.00 1.68 0.00 0.00 54.58 57.50 3gtj n ASN 116 Cb 0.00 -4.35 0.03 0.00 -1.54 0.00 0.00 39.78 33.92 3gtj n ASN 116 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3gtj s LYS 117 N -0.45 3.23 -0.02 3.52 1.02 -1.26 -5.05 119.74 120.73 3gtj s LYS 117 Ca 0.00 2.03 0.02 0.00 0.02 0.00 0.00 55.97 58.05 3gtj s LYS 117 Cb 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 3gtj s LYS 117 CO 0.00 -1.06 -0.09 1.03 -0.92 0.00 0.00 175.35 174.32 3gtj s ARG 118 N -2.96 0.86 0.00 1.68 1.81 -1.26 -5.04 118.95 114.04 3gtj s ARG 118 Ca 0.71 -0.29 0.03 0.00 -1.72 0.00 0.00 55.73 54.46 3gtj s ARG 118 Cb -0.35 -0.81 0.03 0.00 -0.45 0.00 0.00 34.95 33.37 3gtj s ARG 118 CO 0.41 0.13 0.69 -2.37 -0.68 0.00 0.00 175.30 173.48 3gtj n THR 119 N 3.19 0.22 -0.64 0.02 5.66 -1.26 -5.23 114.28 116.24 3gtj n THR 119 Ca -0.17 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 3gtj n THR 119 Cb 0.55 0.94 0.00 0.00 -1.55 0.00 0.00 70.33 70.27 3gtj n THR 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02