#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqq n LYS 4 N 0.00 1.92 -3.37 0.38 3.00 -1.26 -4.97 118.16 113.86 2qqq n LYS 4 Ca 0.00 0.68 -0.36 0.00 -0.00 0.00 0.00 58.31 58.63 2qqq n LYS 4 Cb 0.00 -2.23 -0.06 0.00 0.00 0.00 0.00 35.03 32.75 2qqq n LYS 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2qqq s GLU 5 N -1.49 3.98 0.35 1.64 2.02 -1.26 -5.03 118.70 118.90 2qqq s GLU 5 Ca 0.59 0.48 -0.28 0.00 0.02 0.00 0.00 54.97 55.78 2qqq s GLU 5 Cb -0.62 -2.97 -0.10 0.00 0.10 0.00 0.00 34.13 30.54 2qqq s GLU 5 CO 0.59 0.51 1.29 -0.51 0.02 0.00 0.00 175.26 177.16 2qqq s LEU 6 N -1.86 4.38 0.16 1.80 1.02 -1.26 -4.70 118.68 118.23 2qqq s LEU 6 Ca 0.36 2.65 -0.30 0.00 0.02 0.00 0.00 54.13 56.86 2qqq s LEU 6 Cb -0.15 -3.71 -0.08 0.00 0.02 0.00 0.00 46.19 42.27 2qqq s LEU 6 CO 0.19 -0.58 1.25 -2.28 0.02 0.00 0.00 176.35 174.94 2qqq s HIS 7 N -1.18 3.36 -0.26 0.29 5.65 0.44 -4.83 115.29 118.77 2qqq s HIS 7 Ca 0.50 1.30 -0.07 0.00 0.25 0.00 0.00 55.06 57.04 2qqq s HIS 7 Cb -0.39 -3.50 -0.02 0.00 -1.18 0.00 0.00 32.58 27.49 2qqq s HIS 7 CO 0.51 -1.52 0.08 0.08 -0.65 0.00 0.00 174.74 173.24 2qqq s VAL 8 N 0.26 4.29 -0.20 0.89 1.01 -1.26 0.61 120.40 126.01 2qqq s VAL 8 Ca 0.56 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 2qqq s VAL 8 Cb -0.34 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 2qqq s VAL 8 CO 0.35 0.27 -0.10 -0.54 0.00 0.00 0.00 175.10 175.09 2qqq s LYS 9 N 1.60 3.27 -0.21 2.72 1.02 0.54 -4.96 119.74 123.72 2qqq s LYS 9 Ca 0.06 -0.69 -0.07 0.00 0.02 0.00 0.00 55.97 55.28 2qqq s LYS 9 Cb -0.16 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 2qqq s LYS 9 CO 0.04 -0.14 0.07 0.99 -0.92 0.00 0.00 175.35 175.38 2qqq s THR 10 N 1.26 4.64 0.27 2.17 2.01 -1.26 -0.38 115.64 124.36 2qqq s THR 10 Ca 0.03 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2qqq s THR 10 Cb -0.14 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 2qqq s THR 10 CO -0.05 0.41 0.12 0.68 -0.69 0.00 0.00 174.62 175.09 2qqq s VAL 11 N 0.85 0.46 0.16 3.82 -7.23 -0.26 -4.97 120.40 113.21 2qqq s VAL 11 Ca 0.04 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 2qqq s VAL 11 Cb -0.14 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2qqq s VAL 11 CO 0.02 0.00 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.23 2qqq s LYS 12 N -3.97 2.28 0.03 4.82 1.02 -1.26 -4.36 119.74 118.30 2qqq s LYS 12 Ca 0.37 -1.11 -0.38 0.00 0.02 0.00 0.00 55.97 54.87 2qqq s LYS 12 Cb 0.07 -2.31 -0.19 0.00 -0.52 0.00 0.00 37.83 34.87 2qqq s LYS 12 CO 0.15 0.47 1.02 -2.13 -0.92 0.00 0.00 175.35 173.94 2qqq n ARG 13 N 0.13 0.10 -0.66 1.68 3.00 -1.26 -1.31 116.66 118.33 2qqq n ARG 13 Ca -0.11 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 2qqq n ARG 13 Cb 0.54 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.52 2qqq n ARG 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qqq n GLY 14 N 1.63 0.96 3.78 5.14 0.00 0.27 -4.92 105.19 112.06 2qqq n GLY 14 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 2qqq n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qqq s GLU 15 N -0.26 3.67 -0.06 1.61 2.12 -0.43 -4.11 118.70 121.25 2qqq s GLU 15 Ca 0.00 1.61 -0.13 0.00 0.36 0.00 0.00 54.97 56.81 2qqq s GLU 15 Cb 0.00 -2.22 -0.05 0.00 0.26 0.00 0.00 34.13 32.12 2qqq s GLU 15 CO 0.00 -0.59 0.32 -0.80 -0.54 0.00 0.00 175.26 173.65 2qqq s ASN 16 N -1.64 6.63 -0.00 -1.70 0.01 -1.26 -0.53 114.94 116.45 2qqq s ASN 16 Ca 0.67 0.75 0.04 0.00 -0.71 0.00 0.00 52.86 53.60 2qqq s ASN 16 Cb -0.24 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 2qqq s ASN 16 CO 0.28 0.30 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.36 2qqq s VAL 17 N -0.73 0.93 -0.06 1.60 1.01 0.29 -4.97 120.40 118.47 2qqq s VAL 17 Ca 0.20 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.65 2qqq s VAL 17 Cb -0.15 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.45 2qqq s VAL 17 CO 0.09 0.22 -0.15 -0.89 0.00 0.00 0.00 175.10 174.37 2qqq s THR 18 N -0.36 1.29 -0.13 3.92 2.01 -1.26 0.14 115.64 121.26 2qqq s THR 18 Ca 0.04 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.45 2qqq s THR 18 Cb -0.05 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 2qqq s THR 18 CO -0.00 0.38 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.12 2qqq s MET 19 N 0.39 3.31 0.19 4.92 -1.94 0.03 -4.97 119.30 121.24 2qqq s MET 19 Ca -0.11 -0.73 -0.06 0.00 -1.71 0.00 0.00 55.69 53.09 2qqq s MET 19 Cb -0.14 -2.57 -0.06 0.00 2.01 0.00 0.00 34.83 34.07 2qqq s MET 19 CO 0.03 0.20 0.44 -1.21 -0.01 0.00 0.00 175.02 174.48 2qqq s GLU 20 N 0.37 3.66 -0.15 2.03 2.02 -1.26 -1.30 118.70 124.07 2qqq s GLU 20 Ca -0.12 0.01 -0.07 0.00 0.02 0.00 0.00 54.97 54.80 2qqq s GLU 20 Cb -0.16 -2.77 0.06 0.00 0.10 0.00 0.00 34.13 31.36 2qqq s GLU 20 CO 0.06 0.39 0.35 0.00 0.02 0.00 0.00 175.26 176.08 2qqq s SER 22 N 1.85 6.55 0.09 0.00 0.01 -1.26 -1.30 113.70 119.65 2qqq s SER 22 Ca -0.06 2.33 0.23 0.00 1.31 0.00 0.00 55.95 59.77 2qqq s SER 22 Cb -0.10 -2.61 0.18 0.00 0.21 0.00 0.00 66.02 63.69 2qqq s SER 22 CO -0.11 -0.65 1.16 0.80 0.41 0.00 0.00 173.24 174.85 2qqq n MET 23 N 0.10 0.32 0.00 12.44 1.56 -1.06 -4.74 117.12 125.75 2qqq n MET 23 Ca 0.04 0.05 0.00 0.00 -0.27 0.00 0.00 57.70 57.52 2qqq n MET 23 Cb 0.47 -1.66 0.00 0.00 2.15 0.00 0.00 33.22 34.18 2qqq n MET 23 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 2qqq n SER 24 N -2.10 0.00 -4.49 6.12 3.41 -1.26 -2.88 113.62 112.42 2qqq n SER 24 Ca 0.02 0.74 -0.44 0.00 -0.26 0.00 0.00 58.87 58.94 2qqq n SER 24 Cb 0.45 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2qqq n SER 24 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2qqq s LYS 25 N -1.97 4.02 -0.11 4.33 0.00 -1.26 -4.89 119.74 119.86 2qqq s LYS 25 Ca 0.00 -2.38 -0.01 0.00 0.00 0.00 0.00 55.97 53.58 2qqq s LYS 25 Cb 0.00 -5.15 0.03 0.00 0.00 0.00 0.00 37.83 32.71 2qqq s LYS 25 CO 0.00 -1.87 -0.06 0.08 0.00 0.00 0.00 175.35 173.51 2qqq s VAL 26 N 2.22 0.88 -0.08 1.79 1.01 -1.14 -5.07 120.40 120.01 2qqq s VAL 26 Ca 0.44 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 2qqq s VAL 26 Cb -0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2qqq s VAL 26 CO 0.01 0.33 0.25 0.74 0.00 0.00 0.00 175.10 176.43 2qqq h THR 27 N 6.22 0.15 -3.48 3.92 2.02 -1.91 -3.41 112.91 116.42 2qqq h THR 27 Ca -0.27 -0.99 -0.64 0.00 0.77 0.00 0.00 66.41 65.28 2qqq h THR 27 Cb 1.13 0.28 -0.40 0.00 -1.74 0.00 0.00 68.15 67.42 2qqq h THR 27 CO 0.37 0.05 -0.71 0.21 0.37 0.00 0.00 175.52 175.81 2qqq s ASN 28 N -5.43 4.47 0.53 4.18 2.47 -1.26 -4.98 114.94 114.92 2qqq s ASN 28 Ca -0.04 -2.30 0.36 0.00 0.42 0.00 0.00 52.86 51.30 2qqq s ASN 28 Cb 0.00 -1.47 1.53 0.00 -1.45 0.00 0.00 41.25 39.86 2qqq s ASN 28 CO 0.13 -0.34 1.77 0.11 -3.72 0.00 0.00 177.10 175.04 2qqq h LYS 29 N 7.37 0.04 0.00 0.43 1.57 -1.99 0.47 116.57 124.47 2qqq h LYS 29 Ca -0.06 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2qqq h LYS 29 Cb 0.98 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2qqq h LYS 29 CO 0.55 0.03 0.00 -0.91 -0.57 0.00 0.00 179.45 178.54 2qqq h ASN 30 N 0.04 0.00 -0.38 0.86 2.35 -1.93 -2.29 115.58 114.22 2qqq h ASN 30 Ca 0.62 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.37 2qqq h ASN 30 Cb 2.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.75 2qqq h ASN 30 CO -0.05 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.32 2qqq n ASN 31 N -2.36 3.15 -4.82 5.81 5.03 0.17 -4.82 115.26 117.42 2qqq n ASN 31 Ca -0.01 -1.92 -0.38 0.00 0.87 0.00 0.00 54.58 53.15 2qqq n ASN 31 Cb 0.08 -0.25 -0.06 0.00 -1.02 0.00 0.00 39.78 38.53 2qqq n ASN 31 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2qqq s LEU 32 N -1.15 4.42 0.03 3.41 2.96 -0.86 -1.30 118.68 126.19 2qqq s LEU 32 Ca 0.32 0.82 -0.25 0.00 -0.22 0.00 0.00 54.13 54.79 2qqq s LEU 32 Cb 0.18 -2.48 0.06 0.00 0.50 0.00 0.00 46.19 44.45 2qqq s LEU 32 CO 0.24 0.29 0.58 0.00 -1.32 0.00 0.00 176.35 176.14 2qqq s ALA 33 N -0.77 -1.51 -0.02 5.97 0.00 -0.13 -1.62 121.76 123.68 2qqq s ALA 33 Ca 0.22 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 52.85 2qqq s ALA 33 Cb -0.15 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 2qqq s ALA 33 CO 0.10 -0.49 0.43 -1.58 0.00 0.00 0.00 175.76 174.23 2qqq s TRP 34 N -2.17 3.69 0.04 0.00 0.52 0.90 -1.78 118.94 120.14 2qqq s TRP 34 Ca -0.07 0.99 0.05 0.00 0.02 0.00 0.00 56.10 57.10 2qqq s TRP 34 Cb -0.01 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 2qqq s TRP 34 CO 0.01 0.54 -0.12 0.71 0.02 0.00 0.00 176.95 178.11 2qqq s TYR 35 N -0.71 2.73 -0.09 -1.98 1.51 0.83 0.34 117.35 119.98 2qqq s TYR 35 Ca 0.24 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.18 2qqq s TYR 35 Cb -0.17 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.18 2qqq s TYR 35 CO 0.13 0.34 -0.17 0.50 -1.11 0.00 0.00 175.55 175.24 2qqq s ARG 36 N -1.59 2.26 -0.25 -0.62 3.52 -0.06 -0.80 118.95 121.40 2qqq s ARG 36 Ca 0.17 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.19 2qqq s ARG 36 Cb -0.11 -1.82 0.06 0.00 -1.56 0.00 0.00 34.95 31.53 2qqq s ARG 36 CO 0.08 0.04 -0.06 -1.14 -0.81 0.00 0.00 175.30 173.42 2qqq s GLN 37 N 0.67 1.75 0.53 5.12 0.74 0.13 -1.88 119.66 126.72 2qqq s GLN 37 Ca -0.13 -1.17 -0.21 0.00 0.05 0.00 0.00 55.36 53.90 2qqq s GLN 37 Cb -0.16 -2.70 -0.06 0.00 1.10 0.00 0.00 33.01 31.19 2qqq s GLN 37 CO 0.04 -0.63 1.22 -1.12 -0.55 0.00 0.00 175.29 174.24 2qqq s SER 38 N 1.28 5.63 0.19 6.67 0.01 -1.26 -1.04 113.70 125.18 2qqq s SER 38 Ca -0.05 2.43 -0.33 0.00 1.31 0.00 0.00 55.95 59.32 2qqq s SER 38 Cb -0.19 -2.61 -0.13 0.00 0.21 0.00 0.00 66.02 63.30 2qqq s SER 38 CO -0.07 -1.30 1.54 0.33 0.41 0.00 0.00 173.24 174.16 2qqq n PHE 39 N -1.00 2.31 -0.96 2.43 7.35 -1.26 -1.93 117.46 124.40 2qqq n PHE 39 Ca 0.10 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 2qqq n PHE 39 Cb 0.48 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.78 2qqq n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qqq n GLY 40 N 3.01 0.76 3.48 7.13 0.00 -1.26 -5.03 105.19 113.29 2qqq n GLY 40 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2qqq n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qqq s LYS 41 N -0.04 1.70 0.32 1.61 3.01 -0.81 -5.13 119.74 120.41 2qqq s LYS 41 Ca 0.00 -1.80 -0.26 0.00 -1.01 0.00 0.00 55.97 52.89 2qqq s LYS 41 Cb 0.00 -1.75 -0.10 0.00 -1.01 0.00 0.00 37.83 34.98 2qqq s LYS 41 CO 0.00 0.29 0.98 0.08 0.51 0.00 0.00 175.35 177.21 2qqq s VAL 42 N -2.54 4.02 0.58 3.17 1.01 -1.26 -4.71 120.40 120.67 2qqq s VAL 42 Ca 0.30 1.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 2qqq s VAL 42 Cb -0.03 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2qqq s VAL 42 CO 0.15 0.18 1.23 -2.84 0.00 0.00 0.00 175.10 173.82 2qqq s PRO 43 N -1.98 3.03 0.03 2.72 0.02 -1.26 -4.77 135.00 132.78 2qqq s PRO 43 Ca 0.50 1.89 0.03 0.00 0.02 0.00 0.00 61.00 63.44 2qqq s PRO 43 Cb -0.21 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.28 2qqq s PRO 43 CO 0.27 -1.18 -0.09 -0.65 -0.33 0.00 0.00 177.00 175.03 2qqq s GLN 44 N -3.22 0.61 0.14 5.54 -0.21 -0.79 -4.96 119.66 116.78 2qqq s GLN 44 Ca 0.76 -0.60 -0.34 0.00 0.02 0.00 0.00 55.36 55.20 2qqq s GLN 44 Cb -0.32 -0.51 -0.15 0.00 1.00 0.00 0.00 33.01 33.03 2qqq s GLN 44 CO 0.35 0.12 1.42 0.98 -2.12 0.00 0.00 175.29 176.04 2qqq n TYR 45 N 2.00 1.86 -0.04 0.91 9.36 -1.26 -0.88 117.16 129.12 2qqq n TYR 45 Ca -0.19 0.48 -0.07 0.00 3.32 0.00 0.00 57.90 61.44 2qqq n TYR 45 Cb 0.56 -2.42 -0.03 0.00 -0.63 0.00 0.00 39.34 36.81 2qqq n TYR 45 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2qqq n PHE 46 N 2.67 0.00 -3.68 2.98 7.35 0.15 -4.74 117.46 122.19 2qqq n PHE 46 Ca 0.17 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.73 2qqq n PHE 46 Cb 0.25 -0.30 -0.09 0.00 0.35 0.00 0.00 39.48 39.70 2qqq n PHE 46 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2qqq s VAL 47 N -2.15 -0.00 0.20 -2.13 0.11 -1.02 -1.31 120.40 114.09 2qqq s VAL 47 Ca -0.11 0.01 0.11 0.00 -2.93 0.00 0.00 61.98 59.06 2qqq s VAL 47 Cb 0.04 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 2qqq s VAL 47 CO 0.16 0.00 -0.23 0.00 -3.33 0.00 0.00 175.10 171.71 2qqq s ARG 48 N 0.46 1.50 0.49 1.54 1.70 -0.51 -0.07 118.95 124.06 2qqq s ARG 48 Ca -0.01 -1.53 -0.23 0.00 -0.47 0.00 0.00 55.73 53.49 2qqq s ARG 48 Cb -0.04 -1.77 -0.07 0.00 -0.57 0.00 0.00 34.95 32.50 2qqq s ARG 48 CO -0.02 0.38 1.25 -0.47 -1.08 0.00 0.00 175.30 175.37 2qqq s TYR 49 N -1.78 2.64 -0.07 5.89 6.14 -0.64 -1.01 117.35 128.51 2qqq s TYR 49 Ca 0.21 1.46 -0.17 0.00 0.64 0.00 0.00 57.07 59.21 2qqq s TYR 49 Cb -0.07 -3.57 0.04 0.00 0.42 0.00 0.00 41.96 38.77 2qqq s TYR 49 CO 0.10 -2.11 0.40 -0.47 0.64 0.00 0.00 175.55 174.11 2qqq s TYR 50 N -1.42 -0.34 -1.13 4.97 5.04 0.33 -4.74 117.35 120.05 2qqq s TYR 50 Ca 0.66 0.70 -0.21 0.00 -2.44 0.00 0.00 57.07 55.78 2qqq s TYR 50 Cb -0.34 0.16 0.06 0.00 0.35 0.00 0.00 41.96 42.19 2qqq s TYR 50 CO 0.41 -0.35 1.55 0.45 -1.34 0.00 0.00 175.55 176.27 2qqq s SER 51 N -0.71 6.65 0.29 4.32 0.15 -1.26 -3.59 113.70 119.55 2qqq s SER 51 Ca -0.08 -1.90 -0.10 0.00 0.70 0.00 0.00 55.95 54.57 2qqq s SER 51 Cb -0.04 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2qqq s SER 51 CO 0.04 -1.34 0.50 -0.94 1.20 0.00 0.00 173.24 172.69 2qqq s SER 52 N 4.58 0.20 0.16 5.45 1.04 -1.26 -5.00 113.70 118.87 2qqq s SER 52 Ca 0.49 -1.11 -0.16 0.00 0.48 0.00 0.00 55.95 55.64 2qqq s SER 52 Cb 0.01 0.63 0.05 0.00 0.10 0.00 0.00 66.02 66.81 2qqq s SER 52 CO -0.03 -1.23 1.78 0.78 0.98 0.00 0.00 173.24 175.52 2qqq h ASN 53 N 2.20 0.28 -0.69 7.02 -0.26 -1.98 -2.77 115.58 119.37 2qqq h ASN 53 Ca -0.27 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.47 2qqq h ASN 53 Cb 1.25 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 38.44 2qqq h ASN 53 CO 0.37 0.20 0.37 0.77 -1.06 0.00 0.00 177.43 178.09 2qqq h SER 54 N 0.39 0.87 0.00 5.81 4.64 -1.97 -3.47 113.55 119.82 2qqq h SER 54 Ca 0.16 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2qqq h SER 54 Cb 0.07 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2qqq h SER 54 CO -0.11 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 2qqq n GLY 55 N -1.05 0.83 3.47 -0.77 0.00 -1.05 -4.70 105.19 101.93 2qqq n GLY 55 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2qqq n GLY 55 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qqq s TYR 56 N -2.01 -0.58 -0.15 1.61 -0.85 -1.24 -0.51 117.35 113.62 2qqq s TYR 56 Ca 0.00 0.70 -0.06 0.00 -0.52 0.00 0.00 57.07 57.19 2qqq s TYR 56 Cb 0.00 0.49 0.07 0.00 0.38 0.00 0.00 41.96 42.90 2qqq s TYR 56 CO 0.00 -0.71 0.32 0.21 -1.52 0.00 0.00 175.55 173.85 2qqq s LYS 57 N -2.48 0.22 0.63 -3.49 2.20 -0.18 -4.77 119.74 111.87 2qqq s LYS 57 Ca -0.04 0.84 -0.16 0.00 -0.36 0.00 0.00 55.97 56.24 2qqq s LYS 57 Cb -0.01 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 2qqq s LYS 57 CO -0.02 -0.26 1.12 -0.06 -0.36 0.00 0.00 175.35 175.77 2qqq s PHE 58 N 2.38 2.61 0.46 4.03 0.08 -1.26 -1.43 117.98 124.86 2qqq s PHE 58 Ca -0.01 1.55 -0.22 0.00 0.12 0.00 0.00 56.93 58.37 2qqq s PHE 58 Cb -0.12 -3.22 -0.10 0.00 -0.57 0.00 0.00 43.02 39.01 2qqq s PHE 58 CO -0.10 -1.69 0.83 0.00 -0.10 0.00 0.00 175.22 174.16 2qqq n ALA 59 N -2.09 -0.39 -1.70 5.36 0.00 -0.43 -4.86 120.51 116.40 2qqq n ALA 59 Ca 0.11 0.16 -0.44 0.00 0.00 0.00 0.00 53.44 53.27 2qqq n ALA 59 Cb 0.52 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 2qqq n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qqq n GLU 60 N 0.08 2.26 -0.71 0.00 -0.58 -1.26 -2.32 120.64 118.12 2qqq n GLU 60 Ca 0.11 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.65 2qqq n GLU 60 Cb 0.41 -2.50 0.00 0.00 -0.57 0.00 0.00 31.44 28.78 2qqq n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qqq n GLY 61 N 2.13 1.49 3.63 0.62 0.00 -1.26 -4.99 105.19 106.81 2qqq n GLY 61 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2qqq n GLY 61 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qqq s PHE 62 N -3.67 2.22 -0.75 1.61 5.36 -0.98 -4.93 117.98 116.85 2qqq s PHE 62 Ca 0.00 0.61 0.04 0.00 -0.96 0.00 0.00 56.93 56.62 2qqq s PHE 62 Cb 0.00 -3.97 0.24 0.00 -0.34 0.00 0.00 43.02 38.95 2qqq s PHE 62 CO 0.00 -2.68 0.83 1.63 -1.46 0.00 0.00 175.22 173.53 2qqq n LYS 63 N 7.60 2.74 -3.22 10.12 5.02 -1.26 -4.95 118.16 134.22 2qqq n LYS 63 Ca 0.18 -4.61 -0.01 0.00 -2.02 0.00 0.00 58.31 51.85 2qqq n LYS 63 Cb 0.46 -2.32 -0.03 0.00 -0.02 0.00 0.00 35.03 33.12 2qqq n LYS 63 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2qqq s ASP 64 N -1.98 -0.81 -0.12 4.39 3.68 -1.26 -5.03 116.67 115.53 2qqq s ASP 64 Ca 0.35 0.23 0.10 0.00 2.13 0.00 0.00 52.55 55.36 2qqq s ASP 64 Cb 0.08 1.71 0.49 0.00 -1.45 0.00 0.00 42.92 43.75 2qqq s ASP 64 CO -0.03 -0.30 1.28 -1.54 0.13 0.00 0.00 175.17 174.71 2qqq n SER 65 N 5.40 3.65 0.18 -0.34 3.41 -1.26 -3.17 113.62 121.50 2qqq n SER 65 Ca 0.01 -2.47 0.07 0.00 -0.26 0.00 0.00 58.87 56.22 2qqq n SER 65 Cb 0.52 -0.56 0.20 0.00 -0.26 0.00 0.00 64.21 64.10 2qqq n SER 65 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2qqq h ARG 66 N 2.50 0.00 -6.58 4.33 3.08 -1.96 -3.46 114.38 112.30 2qqq h ARG 66 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2qqq h ARG 66 Cb 1.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 2qqq h ARG 66 CO 0.25 0.31 0.12 -0.06 -1.07 0.00 0.00 179.97 179.52 2qqq s PHE 67 N -3.23 3.66 0.35 3.04 0.08 -1.19 -1.24 117.98 119.45 2qqq s PHE 67 Ca 0.04 1.42 -0.08 0.00 0.12 0.00 0.00 56.93 58.42 2qqq s PHE 67 Cb 0.08 -2.64 0.03 0.00 -0.57 0.00 0.00 43.02 39.92 2qqq s PHE 67 CO 0.69 0.34 0.61 -1.13 -0.10 0.00 0.00 175.22 175.63 2qqq n SER 68 N 0.75 -1.76 -4.01 1.36 3.41 -0.36 -4.99 113.62 108.02 2qqq n SER 68 Ca -0.02 -2.63 -0.08 0.00 -0.26 0.00 0.00 58.87 55.88 2qqq n SER 68 Cb 0.51 3.05 -0.10 0.00 -0.26 0.00 0.00 64.21 67.40 2qqq n SER 68 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qqq s MET 69 N -2.39 0.51 -0.25 4.33 -1.94 -1.26 0.21 119.30 118.50 2qqq s MET 69 Ca 0.21 -0.90 0.02 0.00 -1.71 0.00 0.00 55.69 53.31 2qqq s MET 69 Cb -0.03 0.18 0.05 0.00 2.01 0.00 0.00 34.83 37.05 2qqq s MET 69 CO 0.15 -0.10 -0.11 0.99 -0.01 0.00 0.00 175.02 175.94 2qqq s THR 70 N -2.78 2.21 -0.19 2.05 2.01 -0.66 -4.94 115.64 113.35 2qqq s THR 70 Ca -0.04 -1.53 0.00 0.00 0.31 0.00 0.00 61.69 60.43 2qqq s THR 70 Cb -0.00 -2.26 0.04 0.00 0.01 0.00 0.00 72.50 70.29 2qqq s THR 70 CO -0.06 0.04 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.14 2qqq s VAL 71 N 1.13 1.39 0.00 3.82 1.01 -1.26 -1.75 120.40 124.75 2qqq s VAL 71 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2qqq s VAL 71 Cb -0.19 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2qqq s VAL 71 CO -0.06 0.13 0.00 -0.46 0.00 0.00 0.00 175.10 174.72 2qqq n ASN 72 N 4.77 0.00 -0.34 3.32 0.23 -1.05 -4.97 115.26 117.22 2qqq n ASN 72 Ca -0.13 -0.77 0.19 0.00 -0.53 0.00 0.00 54.58 53.34 2qqq n ASN 72 Cb 0.47 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.59 2qqq n ASN 72 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2qqq h ASP 73 N 0.00 0.62 -0.01 0.53 2.03 -1.99 -2.80 116.42 114.80 2qqq h ASP 73 Ca 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 2qqq h ASP 73 Cb 0.00 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 2qqq h ASP 73 CO 0.00 0.06 -0.13 0.00 -1.03 0.00 0.00 179.24 178.14 2qqq n GLN 74 N -4.88 1.79 -4.41 4.15 6.02 -1.26 -4.48 117.38 114.31 2qqq n GLN 74 Ca 0.28 -0.64 -0.21 0.00 -0.01 0.00 0.00 57.00 56.42 2qqq n GLN 74 Cb 0.81 -1.05 -0.14 0.00 1.02 0.00 0.00 30.24 30.88 2qqq n GLN 74 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2qqq s LYS 75 N -1.09 0.98 -0.38 -1.09 1.02 -1.06 -2.55 119.74 115.57 2qqq s LYS 75 Ca 0.07 -0.73 0.11 0.00 0.02 0.00 0.00 55.97 55.44 2qqq s LYS 75 Cb 0.07 -0.99 0.33 0.00 -0.52 0.00 0.00 37.83 36.71 2qqq s LYS 75 CO 0.18 0.25 0.73 0.34 -0.92 0.00 0.00 175.35 175.94 2qqq n PHE 76 N 2.02 -0.28 -3.91 3.18 7.35 -0.42 -2.52 117.46 122.89 2qqq n PHE 76 Ca -0.17 -3.57 -0.33 0.00 -0.76 0.00 0.00 57.45 52.61 2qqq n PHE 76 Cb 0.55 -0.17 -0.05 0.00 0.35 0.00 0.00 39.48 40.16 2qqq n PHE 76 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2qqq s ASP 77 N -2.09 6.36 -0.23 -2.13 1.01 -0.72 -3.84 116.67 115.03 2qqq s ASP 77 Ca 0.37 0.35 -0.09 0.00 0.71 0.00 0.00 52.55 53.89 2qqq s ASP 77 Cb 0.31 -2.00 -0.04 0.00 1.01 0.00 0.00 42.92 42.20 2qqq s ASP 77 CO -0.09 0.27 0.13 -0.22 0.21 0.00 0.00 175.17 175.47 2qqq s LEU 78 N -1.90 3.93 -0.01 1.23 2.96 -0.42 -1.65 118.68 122.82 2qqq s LEU 78 Ca 0.27 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 2qqq s LEU 78 Cb -0.13 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2qqq s LEU 78 CO 0.18 0.06 0.01 0.20 -1.32 0.00 0.00 176.35 175.49 2qqq s ASN 79 N 1.05 5.21 -0.06 3.68 0.01 0.13 -0.79 114.94 124.18 2qqq s ASN 79 Ca 0.06 0.03 0.04 0.00 -0.71 0.00 0.00 52.86 52.28 2qqq s ASN 79 Cb -0.14 -1.39 0.00 0.00 0.41 0.00 0.00 41.25 40.13 2qqq s ASN 79 CO 0.04 0.29 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.13 2qqq s ILE 80 N -1.08 1.39 -0.28 0.60 1.09 0.12 -1.22 121.20 121.83 2qqq s ILE 80 Ca 0.19 -0.67 -0.07 0.00 -1.10 0.00 0.00 60.65 59.01 2qqq s ILE 80 Cb -0.12 -1.22 -0.01 0.00 -1.06 0.00 0.00 42.46 40.06 2qqq s ILE 80 CO 0.10 0.41 0.08 -0.63 -0.10 0.00 0.00 174.94 174.80 2qqq s ILE 81 N 0.30 4.13 -0.02 2.92 1.01 -0.38 -0.55 121.20 128.62 2qqq s ILE 81 Ca -0.09 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 2qqq s ILE 81 Cb -0.14 -3.05 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 2qqq s ILE 81 CO 0.04 0.18 0.01 0.61 0.00 0.00 0.00 174.94 175.78 2qqq n GLY 82 N 4.90 0.73 3.74 6.18 0.00 -1.14 -4.82 105.19 114.78 2qqq n GLY 82 Ca -0.15 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2qqq n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqq n ALA 83 N -1.46 1.75 -2.36 4.61 0.00 0.31 -4.52 120.51 118.85 2qqq n ALA 83 Ca -0.00 0.24 -0.19 0.00 0.00 0.00 0.00 53.44 53.49 2qqq n ALA 83 Cb 0.50 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 2qqq n ALA 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2qqq s ARG 84 N -2.43 1.36 0.30 0.00 1.70 -1.26 -0.56 118.95 118.06 2qqq s ARG 84 Ca 0.62 -1.63 0.03 0.00 -0.47 0.00 0.00 55.73 54.28 2qqq s ARG 84 Cb -0.46 -1.06 0.61 0.00 -0.57 0.00 0.00 34.95 33.47 2qqq s ARG 84 CO 0.57 0.12 1.86 1.49 -1.08 0.00 0.00 175.30 178.26 2qqq h GLU 85 N 2.51 0.91 0.00 3.89 4.81 -1.98 0.66 114.58 125.38 2qqq h GLU 85 Ca -0.38 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2qqq h GLU 85 Cb 1.22 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2qqq h GLU 85 CO 0.63 0.60 0.00 -0.25 -0.73 0.00 0.00 179.01 179.26 2qqq n ASP 86 N -4.58 0.00 0.11 1.04 8.00 -1.26 -1.76 116.55 118.10 2qqq n ASP 86 Ca 0.17 -0.65 0.13 0.00 0.71 0.00 0.00 54.79 55.15 2qqq n ASP 86 Cb 0.35 -0.01 0.41 0.00 -0.02 0.00 0.00 41.12 41.84 2qqq n ASP 86 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qqq n ASP 87 N -1.01 0.83 -4.70 -2.24 10.43 0.22 -4.86 116.55 115.22 2qqq n ASP 87 Ca 0.16 0.58 -0.41 0.00 2.57 0.00 0.00 54.79 57.70 2qqq n ASP 87 Cb 0.08 -0.81 0.01 0.00 1.84 0.00 0.00 41.12 42.25 2qqq n ASP 87 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qqq n GLY 88 N 1.22 0.50 0.00 0.44 0.00 -0.72 -4.90 105.19 101.73 2qqq n GLY 88 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2qqq n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqq n GLY 89 N 0.83 -0.00 3.36 -0.02 0.00 -0.73 -4.73 105.19 103.89 2qqq n GLY 89 Ca 0.07 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 2qqq n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qqq s GLU 90 N -2.00 2.01 -0.07 1.61 2.02 -0.21 -1.60 118.70 120.46 2qqq s GLU 90 Ca 0.00 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 54.02 2qqq s GLU 90 Cb 0.00 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.18 2qqq s GLU 90 CO 0.00 0.54 -0.13 0.71 0.02 0.00 0.00 175.26 176.41 2qqq s TYR 91 N -0.74 1.55 -0.05 1.61 1.51 -0.43 0.21 117.35 121.02 2qqq s TYR 91 Ca 0.11 -0.60 0.05 0.00 -1.01 0.00 0.00 57.07 55.62 2qqq s TYR 91 Cb -0.10 -1.14 -0.00 0.00 -0.11 0.00 0.00 41.96 40.61 2qqq s TYR 91 CO 0.01 -0.31 -0.18 -0.06 -1.11 0.00 0.00 175.55 173.89 2qqq s PHE 92 N 0.74 1.84 -0.26 2.71 0.40 0.02 -1.06 117.98 122.37 2qqq s PHE 92 Ca -0.13 -0.54 -0.09 0.00 -0.60 0.00 0.00 56.93 55.57 2qqq s PHE 92 Cb -0.16 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 2qqq s PHE 92 CO 0.03 -0.18 0.11 0.00 0.70 0.00 0.00 175.22 175.88 2qqq s GLY 94 N 1.66 0.20 -0.16 0.00 0.00 -0.73 -0.34 107.32 107.94 2qqq s GLY 94 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.24 2qqq s GLY 94 CO 0.06 -0.66 -0.15 1.85 0.00 0.00 0.00 173.10 174.20 2qqq s GLU 95 N -2.17 3.21 -0.03 2.90 2.12 -0.88 -0.96 118.70 122.89 2qqq s GLU 95 Ca -0.09 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.20 2qqq s GLU 95 Cb -0.04 -2.65 -0.05 0.00 0.26 0.00 0.00 34.13 31.65 2qqq s GLU 95 CO -0.03 -0.01 1.46 0.08 -0.54 0.00 0.00 175.26 176.22 2qqq s VAL 96 N 0.88 3.71 -0.38 3.70 1.01 -0.42 -1.63 120.40 127.27 2qqq s VAL 96 Ca -0.04 1.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 2qqq s VAL 96 Cb -0.15 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.66 2qqq s VAL 96 CO -0.01 -0.04 0.17 -0.70 0.00 0.00 0.00 175.10 174.52 2qqq s GLU 97 N 2.98 2.26 -0.88 2.72 2.56 0.18 -4.85 118.70 123.66 2qqq s GLU 97 Ca 0.66 -1.59 -0.17 0.00 0.00 0.00 0.00 54.97 53.87 2qqq s GLU 97 Cb -0.31 -3.53 -0.11 0.00 2.00 0.00 0.00 34.13 32.18 2qqq s GLU 97 CO 0.26 -0.93 2.02 0.41 -0.56 0.00 0.00 175.26 176.46 2qqq n GLY 98 N 4.68 2.90 0.03 -1.50 0.00 -1.26 -2.01 105.19 108.04 2qqq n GLY 98 Ca -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2qqq n GLY 98 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qqq n ILE 99 N 5.38 0.00 -3.92 -0.61 -5.35 -1.26 -5.14 119.36 108.46 2qqq n ILE 99 Ca 0.49 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.87 2qqq n ILE 99 Cb 0.32 0.18 -0.10 0.00 -1.74 0.00 0.00 39.64 38.31 2qqq n ILE 99 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 2qqq s ILE 100 N 0.00 0.12 -0.07 7.28 -4.36 -0.85 -5.15 121.20 118.17 2qqq s ILE 100 Ca 0.00 -0.97 -0.11 0.00 -0.26 0.00 0.00 60.65 59.31 2qqq s ILE 100 Cb 0.00 -0.70 -0.05 0.00 1.25 0.00 0.00 42.46 42.96 2qqq s ILE 100 CO 0.00 -0.53 0.27 -0.51 0.24 0.00 0.00 174.94 174.41 2qqq s ILE 101 N -2.15 5.28 -0.22 8.37 1.10 -1.26 0.47 121.20 132.78 2qqq s ILE 101 Ca -0.09 0.52 -0.01 0.00 -0.51 0.00 0.00 60.65 60.56 2qqq s ILE 101 Cb -0.04 -3.56 0.02 0.00 0.15 0.00 0.00 42.46 39.03 2qqq s ILE 101 CO -0.02 0.59 -0.10 -0.54 -2.11 0.00 0.00 174.94 172.75 2qqq s LYS 102 N -0.96 2.99 -0.08 3.50 3.01 -0.65 -4.94 119.74 122.62 2qqq s LYS 102 Ca 0.19 -0.86 -0.21 0.00 -1.01 0.00 0.00 55.97 54.09 2qqq s LYS 102 Cb -0.14 -2.85 -0.04 0.00 -1.01 0.00 0.00 37.83 33.79 2qqq s LYS 102 CO 0.08 -0.30 0.58 -0.06 0.51 0.00 0.00 175.35 176.17 2qqq s PHE 103 N 1.34 3.56 -0.18 3.18 0.08 -1.26 -2.08 117.98 122.63 2qqq s PHE 103 Ca 0.03 1.08 0.09 0.00 0.12 0.00 0.00 56.93 58.24 2qqq s PHE 103 Cb -0.15 -2.66 -0.22 0.00 -0.57 0.00 0.00 43.02 39.42 2qqq s PHE 103 CO -0.07 0.17 0.13 0.25 -0.10 0.00 0.00 175.22 175.60 2qqq n THR 104 N 3.56 1.52 -3.86 0.64 -2.24 0.54 -4.96 114.28 109.48 2qqq n THR 104 Ca -0.05 -0.73 -0.09 0.00 -2.27 0.00 0.00 64.05 60.91 2qqq n THR 104 Cb 0.51 -1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 67.67 2qqq n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qqq s SER 105 N -6.13 -0.20 0.11 3.42 1.04 -1.21 -4.99 113.70 105.75 2qqq s SER 105 Ca -0.18 -0.67 -0.25 0.00 0.48 0.00 0.00 55.95 55.32 2qqq s SER 105 Cb 0.07 0.63 0.08 0.00 0.10 0.00 0.00 66.02 66.90 2qqq s SER 105 CO 0.75 -1.17 0.77 -0.83 0.98 0.00 0.00 173.24 173.74 2qqq s GLY 106 N -2.94 -0.45 -0.02 7.32 0.00 -1.26 -0.66 107.32 109.32 2qqq s GLY 106 Ca 0.14 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.42 2qqq s GLY 106 CO 0.04 0.17 -0.04 -1.59 0.00 0.00 0.00 173.10 171.68 2qqq s THR 107 N -3.48 0.41 -0.40 0.90 2.01 -0.22 -0.42 115.64 114.45 2qqq s THR 107 Ca 0.05 -0.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.72 2qqq s THR 107 Cb -0.02 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.11 2qqq s THR 107 CO -0.07 0.15 0.50 -0.60 -0.69 0.00 0.00 174.62 173.91 2qqq s ARG 108 N 0.33 3.33 -0.26 4.92 3.52 0.20 -1.31 118.95 129.68 2qqq s ARG 108 Ca -0.04 -0.47 -0.14 0.00 -0.13 0.00 0.00 55.73 54.95 2qqq s ARG 108 Cb -0.07 -3.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.37 2qqq s ARG 108 CO -0.00 -0.80 0.34 -1.17 -0.81 0.00 0.00 175.30 172.86 2qqq s LEU 109 N 2.36 4.06 0.08 -0.88 2.96 -0.63 -0.34 118.68 126.29 2qqq s LEU 109 Ca 0.16 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 2qqq s LEU 109 Cb -0.16 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2qqq s LEU 109 CO 0.15 -0.14 -0.08 0.00 -1.32 0.00 0.00 176.35 174.96 2qqq s GLN 110 N 1.87 0.77 0.00 1.98 -2.07 0.49 -1.78 119.66 120.91 2qqq s GLN 110 Ca 0.14 -1.12 0.23 0.00 -1.82 0.00 0.00 55.36 52.79 2qqq s GLN 110 Cb -0.16 -0.36 0.18 0.00 -1.09 0.00 0.00 33.01 31.58 2qqq s GLN 110 CO 0.09 0.04 1.24 1.19 -1.32 0.00 0.00 175.29 176.53