#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqq s LYS 4 N 0.00 4.33 0.26 9.51 2.47 -1.26 -4.98 119.74 130.07 2qqq s LYS 4 Ca 0.00 2.08 -0.29 0.00 -1.56 0.00 0.00 55.97 56.19 2qqq s LYS 4 Cb 0.00 -3.23 -0.09 0.00 -1.46 0.00 0.00 37.83 33.04 2qqq s LYS 4 CO 0.00 -0.41 0.96 -1.21 0.16 0.00 0.00 175.35 174.85 2qqq s GLU 5 N 0.87 4.80 0.49 4.03 2.02 -1.26 -4.99 118.70 124.66 2qqq s GLU 5 Ca 0.63 1.51 -0.23 0.00 0.02 0.00 0.00 54.97 56.91 2qqq s GLU 5 Cb -0.37 -3.21 -0.06 0.00 0.10 0.00 0.00 34.13 30.59 2qqq s GLU 5 CO 0.32 0.45 1.30 -0.51 0.02 0.00 0.00 175.26 176.84 2qqq s LEU 6 N -1.32 3.98 0.21 1.80 1.02 -1.26 -4.72 118.68 118.39 2qqq s LEU 6 Ca 0.43 2.63 -0.30 0.00 0.02 0.00 0.00 54.13 56.91 2qqq s LEU 6 Cb -0.26 -4.17 -0.08 0.00 0.02 0.00 0.00 46.19 41.70 2qqq s LEU 6 CO 0.32 -1.23 1.11 -2.28 0.02 0.00 0.00 176.35 174.29 2qqq s HIS 7 N -1.36 3.58 -0.27 0.29 5.65 0.48 -4.83 115.29 118.83 2qqq s HIS 7 Ca 0.66 1.62 -0.13 0.00 0.25 0.00 0.00 55.06 57.46 2qqq s HIS 7 Cb -0.37 -3.29 -0.04 0.00 -1.18 0.00 0.00 32.58 27.70 2qqq s HIS 7 CO 0.45 -0.63 0.27 0.08 -0.65 0.00 0.00 174.74 174.26 2qqq s VAL 8 N -0.51 5.25 -0.26 0.89 1.01 -1.26 -0.43 120.40 125.09 2qqq s VAL 8 Ca 0.48 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.77 2qqq s VAL 8 Cb -0.30 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2qqq s VAL 8 CO 0.37 0.21 -0.00 -0.75 0.00 0.00 0.00 175.10 174.93 2qqq s LYS 9 N 1.89 3.03 -0.12 2.72 2.20 0.15 -4.96 119.74 124.65 2qqq s LYS 9 Ca 0.11 -0.87 -0.07 0.00 -0.36 0.00 0.00 55.97 54.78 2qqq s LYS 9 Cb -0.16 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 2qqq s LYS 9 CO 0.10 -0.38 0.12 0.99 -0.36 0.00 0.00 175.35 175.82 2qqq s THR 10 N 1.42 5.32 0.03 3.43 2.01 -1.26 -0.21 115.64 126.37 2qqq s THR 10 Ca 0.02 0.14 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 2qqq s THR 10 Cb -0.16 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.03 2qqq s THR 10 CO -0.01 0.60 0.21 0.54 -0.69 0.00 0.00 174.62 175.27 2qqq s VAL 11 N -0.85 0.09 0.06 3.82 0.11 0.06 -4.96 120.40 118.74 2qqq s VAL 11 Ca 0.14 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 2qqq s VAL 11 Cb -0.12 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 2qqq s VAL 11 CO 0.03 -0.43 0.20 -0.54 -3.33 0.00 0.00 175.10 171.03 2qqq s LYS 12 N -2.16 3.38 -0.01 1.54 1.02 -1.26 -4.24 119.74 118.00 2qqq s LYS 12 Ca -0.08 -0.47 -0.37 0.00 0.02 0.00 0.00 55.97 55.07 2qqq s LYS 12 Cb -0.03 -3.00 -0.15 0.00 -0.52 0.00 0.00 37.83 34.13 2qqq s LYS 12 CO -0.02 0.60 1.55 0.54 -0.92 0.00 0.00 175.35 177.11 2qqq n ARG 13 N 0.28 1.48 -0.22 1.68 3.00 -1.26 -2.10 116.66 119.52 2qqq n ARG 13 Ca -0.05 0.54 0.00 0.00 -0.01 0.00 0.00 57.85 58.32 2qqq n ARG 13 Cb 0.51 -2.24 0.00 0.00 0.00 0.00 0.00 32.46 30.73 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 3.34 0.66 3.88 -0.13 0.00 0.13 -4.92 105.19 108.15 2qqq n GLY 14 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.73 3.41 -0.19 1.61 2.12 -0.89 -4.03 118.70 119.99 2qqq s GLU 15 Ca 0.00 0.58 -0.12 0.00 0.36 0.00 0.00 54.97 55.79 2qqq s GLU 15 Cb 0.00 -2.12 -0.05 0.00 0.26 0.00 0.00 34.13 32.23 2qqq s GLU 15 CO 0.00 -0.63 0.21 -0.80 -0.54 0.00 0.00 175.26 173.50 2qqq s ASN 16 N -4.21 6.29 0.18 -1.70 0.01 -1.26 -0.09 114.94 114.15 2qqq s ASN 16 Ca 0.55 0.33 0.10 0.00 -0.71 0.00 0.00 52.86 53.13 2qqq s ASN 16 Cb -0.11 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 2qqq s ASN 16 CO 0.52 0.12 -0.22 0.68 -1.51 0.00 0.00 177.10 176.68 2qqq s VAL 17 N 0.57 2.15 -0.07 1.60 -7.23 0.76 -4.96 120.40 113.22 2qqq s VAL 17 Ca 0.12 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 2qqq s VAL 17 Cb -0.12 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 34.83 2qqq s VAL 17 CO 0.02 -0.16 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.64 2qqq s THR 18 N -1.70 1.13 -0.11 5.32 2.01 -1.26 -0.07 115.64 120.96 2qqq s THR 18 Ca 0.18 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 2qqq s THR 18 Cb -0.08 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 2qqq s THR 18 CO 0.08 0.36 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.25 2qqq s MET 19 N 0.81 3.23 -0.10 4.92 -1.94 0.15 -4.96 119.30 121.42 2qqq s MET 19 Ca -0.12 -0.59 -0.05 0.00 -1.71 0.00 0.00 55.69 53.22 2qqq s MET 19 Cb -0.15 -2.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.95 2qqq s MET 19 CO 0.02 0.39 0.11 -1.21 -0.01 0.00 0.00 175.02 174.31 2qqq s GLU 20 N -0.07 3.31 -0.01 2.03 2.02 -1.26 -0.38 118.70 124.34 2qqq s GLU 20 Ca -0.00 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 54.77 2qqq s GLU 20 Cb -0.13 -3.07 0.01 0.00 0.10 0.00 0.00 34.13 31.03 2qqq s GLU 20 CO 0.03 0.75 -0.03 0.00 0.02 0.00 0.00 175.26 176.03 2qqq s SER 22 N 0.25 6.25 0.12 0.00 0.15 -1.26 -1.22 113.70 117.99 2qqq s SER 22 Ca -0.02 0.28 0.14 0.00 0.70 0.00 0.00 55.95 57.05 2qqq s SER 22 Cb -0.05 -2.10 0.65 0.00 -1.71 0.00 0.00 66.02 62.81 2qqq s SER 22 CO -0.01 0.19 1.45 0.23 1.20 0.00 0.00 173.24 176.30 2qqq n MET 23 N 3.40 0.07 -1.69 5.44 2.81 -0.35 -4.58 117.12 122.22 2qqq n MET 23 Ca -0.16 0.42 -0.44 0.00 -1.81 0.00 0.00 57.70 55.72 2qqq n MET 23 Cb 0.52 -1.67 -0.02 0.00 -0.71 0.00 0.00 33.22 31.34 2qqq n MET 23 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2qqq n SER 24 N -1.82 2.98 0.00 7.83 7.64 -1.26 -2.14 113.62 126.85 2qqq n SER 24 Ca 0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2qqq n SER 24 Cb 0.12 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 2qqq n SER 24 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2qqq n LYS 25 N 1.90 -1.71 -2.34 1.43 5.02 -1.26 -4.94 118.16 116.26 2qqq n LYS 25 Ca 0.10 0.32 -0.41 0.00 -2.02 0.00 0.00 58.31 56.31 2qqq n LYS 25 Cb 0.33 -4.27 -0.03 0.00 -0.02 0.00 0.00 35.03 31.03 2qqq n LYS 25 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qqq s VAL 26 N -0.75 3.37 -0.18 -0.18 1.01 -0.91 -4.98 120.40 117.78 2qqq s VAL 26 Ca 0.00 1.24 -0.15 0.00 0.00 0.00 0.00 61.98 63.06 2qqq s VAL 26 Cb 0.00 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 2qqq s VAL 26 CO 0.00 0.24 -0.28 0.41 0.00 0.00 0.00 175.10 175.47 2qqq n THR 27 N 1.89 1.48 -3.90 3.92 -1.04 -1.26 -4.81 114.28 110.56 2qqq n THR 27 Ca 0.02 0.09 -0.32 0.00 -2.04 0.00 0.00 64.05 61.80 2qqq n THR 27 Cb 0.44 -2.29 -0.13 0.00 -1.82 0.00 0.00 70.33 66.52 2qqq n THR 27 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2qqq s ASN 28 N -6.09 4.73 0.34 8.00 2.47 -1.26 -4.96 114.94 118.17 2qqq s ASN 28 Ca -0.26 -2.64 0.12 0.00 0.42 0.00 0.00 52.86 50.50 2qqq s ASN 28 Cb 0.05 -1.70 1.06 0.00 -1.45 0.00 0.00 41.25 39.21 2qqq s ASN 28 CO 0.39 -0.34 1.61 0.11 -3.72 0.00 0.00 177.10 175.15 2qqq h LYS 29 N 7.09 0.11 0.00 0.43 1.57 -1.97 0.17 116.57 123.97 2qqq h LYS 29 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2qqq h LYS 29 Cb 0.96 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2qqq h LYS 29 CO 0.65 0.08 0.05 0.09 -0.57 0.00 0.00 179.45 179.75 2qqq n ASN 30 N -5.25 0.49 -0.43 0.86 5.03 -1.26 -0.73 115.26 113.98 2qqq n ASN 30 Ca 0.31 0.71 0.04 0.00 0.87 0.00 0.00 54.58 56.51 2qqq n ASN 30 Cb 1.01 -0.76 0.11 0.00 -1.02 0.00 0.00 39.78 39.12 2qqq n ASN 30 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2qqq n ASN 31 N -2.18 2.67 -4.86 6.41 5.03 0.60 -4.91 115.26 118.02 2qqq n ASN 31 Ca -0.01 -2.13 -0.36 0.00 0.87 0.00 0.00 54.58 52.95 2qqq n ASN 31 Cb 0.08 -0.19 -0.06 0.00 -1.02 0.00 0.00 39.78 38.59 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 -1.23 4.40 0.08 3.41 2.96 0.09 -1.47 118.68 126.93 2qqq s LEU 32 Ca 0.17 0.77 -0.26 0.00 -0.22 0.00 0.00 54.13 54.60 2qqq s LEU 32 Cb 0.11 -2.69 0.08 0.00 0.50 0.00 0.00 46.19 44.19 2qqq s LEU 32 CO 0.10 0.26 0.72 0.00 -1.32 0.00 0.00 176.35 176.11 2qqq s ALA 33 N -1.23 -1.70 0.00 5.97 0.00 -0.61 -1.99 121.76 122.20 2qqq s ALA 33 Ca 0.27 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2qqq s ALA 33 Cb -0.14 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 2qqq s ALA 33 CO 0.15 -0.71 0.10 -1.58 0.00 0.00 0.00 175.76 173.72 2qqq s TRP 34 N -3.32 3.33 0.08 0.00 0.52 -0.02 -1.37 118.94 118.15 2qqq s TRP 34 Ca 0.02 0.22 0.09 0.00 0.02 0.00 0.00 56.10 56.45 2qqq s TRP 34 Cb -0.01 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 2qqq s TRP 34 CO -0.10 0.57 -0.23 0.71 0.02 0.00 0.00 176.95 177.92 2qqq s TYR 35 N -1.23 2.42 -0.09 -1.98 1.51 0.14 -1.58 117.35 116.54 2qqq s TYR 35 Ca 0.24 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2qqq s TYR 35 Cb -0.12 -1.37 0.01 0.00 -0.11 0.00 0.00 41.96 40.37 2qqq s TYR 35 CO 0.15 0.25 -0.13 0.50 -1.11 0.00 0.00 175.55 175.22 2qqq s ARG 36 N -1.64 1.91 -0.26 -0.62 3.52 -0.06 -0.66 118.95 121.13 2qqq s ARG 36 Ca 0.14 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.30 2qqq s ARG 36 Cb -0.10 -1.63 0.06 0.00 -1.56 0.00 0.00 34.95 31.72 2qqq s ARG 36 CO 0.05 -0.04 -0.08 -1.14 -0.81 0.00 0.00 175.30 173.29 2qqq s GLN 37 N 0.90 2.00 0.43 5.12 0.74 0.30 -1.30 119.66 127.87 2qqq s GLN 37 Ca -0.09 -1.32 -0.23 0.00 0.05 0.00 0.00 55.36 53.76 2qqq s GLN 37 Cb -0.15 -2.84 -0.08 0.00 1.10 0.00 0.00 33.01 31.03 2qqq s GLN 37 CO 0.00 -0.62 1.11 -1.12 -0.55 0.00 0.00 175.29 174.12 2qqq s SER 38 N 1.15 6.42 0.23 6.67 0.01 -1.26 -0.69 113.70 126.24 2qqq s SER 38 Ca -0.06 2.18 -0.32 0.00 1.31 0.00 0.00 55.95 59.07 2qqq s SER 38 Cb -0.20 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.32 2qqq s SER 38 CO -0.06 -0.73 1.65 0.33 0.41 0.00 0.00 173.24 174.83 2qqq n PHE 39 N -0.33 2.70 -0.69 2.43 7.35 -1.26 -1.74 117.46 125.93 2qqq n PHE 39 Ca 0.06 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2qqq n PHE 39 Cb 0.49 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 37.70 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 3.19 0.77 3.55 7.13 0.00 -1.26 -5.03 105.19 113.54 2qqq n GLY 40 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.31 1.84 0.42 1.61 -0.14 -0.71 -5.13 119.74 117.33 2qqq s LYS 41 Ca 0.00 -1.92 -0.22 0.00 -1.36 0.00 0.00 55.97 52.47 2qqq s LYS 41 Cb 0.00 -1.73 -0.09 0.00 -1.68 0.00 0.00 37.83 34.33 2qqq s LYS 41 CO 0.00 0.14 1.01 0.54 -0.76 0.00 0.00 175.35 176.28 2qqq s VAL 42 N -2.60 3.98 0.82 3.17 0.11 -1.26 -4.66 120.40 119.97 2qqq s VAL 42 Ca 0.33 1.36 -0.11 0.00 -2.93 0.00 0.00 61.98 60.63 2qqq s VAL 42 Cb 0.02 -3.63 0.09 0.00 -1.53 0.00 0.00 36.38 31.34 2qqq s VAL 42 CO 0.17 -0.14 1.14 -2.84 -3.33 0.00 0.00 175.10 170.10 2qqq s PRO 43 N -2.85 1.69 -0.02 1.54 0.02 -1.26 -4.67 135.00 129.45 2qqq s PRO 43 Ca 0.61 1.46 0.01 0.00 0.02 0.00 0.00 61.00 63.10 2qqq s PRO 43 Cb -0.16 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.56 2qqq s PRO 43 CO 0.21 -2.12 -0.02 -0.65 -0.33 0.00 0.00 177.00 174.09 2qqq s GLN 44 N -4.57 0.36 -0.04 5.54 -1.52 -0.42 -4.95 119.66 114.06 2qqq s GLN 44 Ca 0.66 -0.03 -0.39 0.00 -1.95 0.00 0.00 55.36 53.65 2qqq s GLN 44 Cb -0.22 -0.44 -0.18 0.00 -0.22 0.00 0.00 33.01 31.95 2qqq s GLN 44 CO 0.54 -0.04 1.33 0.98 -0.25 0.00 0.00 175.29 177.85 2qqq n TYR 45 N 3.66 1.32 0.00 0.91 9.36 -1.26 -0.88 117.16 130.27 2qqq n TYR 45 Ca -0.21 0.81 0.00 0.00 3.32 0.00 0.00 57.90 61.82 2qqq n TYR 45 Cb 0.54 -2.26 0.00 0.00 -0.63 0.00 0.00 39.34 36.99 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 2.70 0.00 -3.62 2.98 7.35 -0.61 -4.78 117.46 121.48 2qqq n PHE 46 Ca 0.21 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.78 2qqq n PHE 46 Cb 0.12 0.03 -0.07 0.00 0.35 0.00 0.00 39.48 39.92 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 -1.93 0.00 0.16 -2.13 0.11 -1.04 -0.65 120.40 114.92 2qqq s VAL 47 Ca 0.00 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.16 2qqq s VAL 47 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2qqq s VAL 47 CO 0.00 0.00 -0.24 0.00 -3.33 0.00 0.00 175.10 171.53 2qqq s ARG 48 N 0.12 1.41 0.28 1.54 1.70 -0.21 -0.84 118.95 122.96 2qqq s ARG 48 Ca 0.00 -1.43 -0.30 0.00 -0.47 0.00 0.00 55.73 53.54 2qqq s ARG 48 Cb -0.04 -1.74 -0.13 0.00 -0.57 0.00 0.00 34.95 32.46 2qqq s ARG 48 CO -0.01 0.39 1.29 0.98 -1.08 0.00 0.00 175.30 176.87 2qqq n TYR 49 N 0.52 2.03 -3.25 5.89 4.19 -0.84 -0.34 117.16 125.35 2qqq n TYR 49 Ca -0.15 0.53 -0.04 0.00 3.31 0.00 0.00 57.90 61.56 2qqq n TYR 49 Cb 0.55 -2.40 -0.04 0.00 0.49 0.00 0.00 39.34 37.94 2qqq n TYR 49 CO 0.00 0.00 0.00 -0.47 0.91 0.00 0.00 176.86 177.30 2qqq s TYR 50 N -0.62 -1.30 -0.11 2.98 5.04 -0.90 -4.79 117.35 117.65 2qqq s TYR 50 Ca 0.62 0.76 -0.33 0.00 -2.44 0.00 0.00 57.07 55.68 2qqq s TYR 50 Cb -0.64 0.08 -0.11 0.00 0.35 0.00 0.00 41.96 41.65 2qqq s TYR 50 CO 0.56 -0.97 1.97 0.43 -1.34 0.00 0.00 175.55 176.20 2qqq n SER 51 N 5.38 3.41 -3.84 4.32 7.64 -1.26 -2.95 113.62 126.33 2qqq n SER 51 Ca 0.01 0.82 0.04 0.00 1.01 0.00 0.00 58.87 60.76 2qqq n SER 51 Cb 0.51 -1.40 0.01 0.00 -1.01 0.00 0.00 64.21 62.32 2qqq n SER 51 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2qqq n SER 52 N 7.67 -0.96 -0.10 6.43 3.41 -1.26 -4.92 113.62 123.88 2qqq n SER 52 Ca 0.25 -1.02 -0.06 0.00 -0.26 0.00 0.00 58.87 57.77 2qqq n SER 52 Cb 0.32 1.44 0.01 0.00 -0.26 0.00 0.00 64.21 65.73 2qqq n SER 52 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2qqq h ASN 53 N 1.87 0.15 -0.34 4.04 -0.26 -1.99 -3.04 115.58 116.01 2qqq h ASN 53 Ca -0.18 0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.50 2qqq h ASN 53 Cb 1.10 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 38.36 2qqq h ASN 53 CO 0.27 0.12 -0.13 0.77 -1.06 0.00 0.00 177.43 177.41 2qqq h SER 54 N 0.28 0.77 0.00 5.81 4.64 -1.97 -3.47 113.55 119.61 2qqq h SER 54 Ca 0.16 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2qqq h SER 54 Cb 0.13 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2qqq h SER 54 CO -0.16 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 2qqq n GLY 55 N -0.41 0.76 3.52 -0.77 0.00 -1.15 -4.72 105.19 102.42 2qqq n GLY 55 Ca 0.01 0.00 -0.10 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 -2.80 -0.44 -0.21 1.61 -0.85 -1.15 -2.12 117.35 111.39 2qqq s TYR 56 Ca 0.00 0.19 -0.06 0.00 -0.52 0.00 0.00 57.07 56.68 2qqq s TYR 56 Cb 0.00 0.59 0.10 0.00 0.38 0.00 0.00 41.96 43.03 2qqq s TYR 56 CO 0.00 -0.88 0.41 0.21 -1.52 0.00 0.00 175.55 173.77 2qqq s LYS 57 N -3.68 0.33 0.61 -3.49 2.20 0.53 -4.77 119.74 111.47 2qqq s LYS 57 Ca 0.04 0.89 -0.15 0.00 -0.36 0.00 0.00 55.97 56.38 2qqq s LYS 57 Cb -0.02 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2qqq s LYS 57 CO -0.08 -0.37 1.06 -0.06 -0.36 0.00 0.00 175.35 175.54 2qqq s PHE 58 N 2.59 3.00 0.48 4.03 0.08 -1.26 -1.04 117.98 125.85 2qqq s PHE 58 Ca 0.03 1.50 -0.22 0.00 0.12 0.00 0.00 56.93 58.35 2qqq s PHE 58 Cb -0.13 -2.99 -0.09 0.00 -0.57 0.00 0.00 43.02 39.24 2qqq s PHE 58 CO -0.14 -1.15 1.03 0.00 -0.10 0.00 0.00 175.22 174.86 2qqq n ALA 59 N -2.24 0.35 0.09 5.36 0.00 0.18 -4.88 120.51 119.37 2qqq n ALA 59 Ca 0.09 0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.74 2qqq n ALA 59 Cb 0.53 -2.12 0.50 0.00 0.00 0.00 0.00 19.45 18.36 2qqq n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qqq h GLU 60 N 1.28 0.36 -0.18 0.00 4.81 -1.94 -2.45 114.58 116.46 2qqq h GLU 60 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2qqq h GLU 60 Cb 1.34 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2qqq h GLU 60 CO 0.55 0.24 0.00 0.41 -0.73 0.00 0.00 179.01 179.48 2qqq n GLY 61 N -1.48 -0.36 3.25 1.92 0.00 -1.26 -4.82 105.19 102.43 2qqq n GLY 61 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.78 3.28 -0.91 1.61 5.36 -0.93 -5.02 117.98 119.60 2qqq s PHE 62 Ca 0.00 -1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 54.42 2qqq s PHE 62 Cb 0.00 -2.37 0.23 0.00 -0.34 0.00 0.00 43.02 40.53 2qqq s PHE 62 CO 0.00 -0.76 0.83 0.36 -1.46 0.00 0.00 175.22 174.19 2qqq n LYS 63 N 4.79 2.75 -3.25 10.12 2.85 -1.26 -4.94 118.16 129.21 2qqq n LYS 63 Ca -0.12 -4.49 -0.04 0.00 -1.05 0.00 0.00 58.31 52.61 2qqq n LYS 63 Cb 0.44 -2.41 -0.04 0.00 -0.65 0.00 0.00 35.03 32.37 2qqq n LYS 63 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2qqq s ASP 64 N -0.28 -0.33 0.00 -5.58 3.68 -1.26 -5.03 116.67 107.87 2qqq s ASP 64 Ca 0.29 -0.09 0.23 0.00 2.13 0.00 0.00 52.55 55.11 2qqq s ASP 64 Cb -0.06 1.44 1.35 0.00 -1.45 0.00 0.00 42.92 44.21 2qqq s ASP 64 CO -0.11 -0.33 1.75 -1.20 0.13 0.00 0.00 175.17 175.41 2qqq n SER 65 N 5.38 0.00 0.21 -0.34 7.64 -1.26 -2.35 113.62 122.90 2qqq n SER 65 Ca 0.01 -0.62 0.10 0.00 1.01 0.00 0.00 58.87 59.37 2qqq n SER 65 Cb 0.51 -0.04 0.33 0.00 -1.01 0.00 0.00 64.21 64.00 2qqq n SER 65 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2qqq h ARG 66 N 0.00 0.00 -6.35 1.43 3.08 -1.95 -3.45 114.38 107.13 2qqq h ARG 66 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2qqq h ARG 66 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 2qqq h ARG 66 CO 0.00 0.20 -0.04 -0.06 -1.07 0.00 0.00 179.97 179.00 2qqq s PHE 67 N -3.40 3.66 0.33 3.04 0.08 -0.99 -1.62 117.98 119.08 2qqq s PHE 67 Ca 0.03 1.17 -0.11 0.00 0.12 0.00 0.00 56.93 58.14 2qqq s PHE 67 Cb 0.08 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 40.10 2qqq s PHE 67 CO 0.65 0.45 0.60 -1.54 -0.10 0.00 0.00 175.22 175.28 2qqq s SER 68 N -1.57 0.29 0.13 1.36 1.04 -0.03 -5.00 113.70 109.92 2qqq s SER 68 Ca 0.37 -1.17 0.05 0.00 0.48 0.00 0.00 55.95 55.68 2qqq s SER 68 Cb -0.16 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2qqq s SER 68 CO 0.19 -1.40 -0.13 -0.04 0.98 0.00 0.00 173.24 172.85 2qqq s MET 69 N -3.10 1.01 -0.29 4.02 -1.94 -1.26 -0.06 119.30 117.67 2qqq s MET 69 Ca 0.22 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.93 2qqq s MET 69 Cb -0.03 -0.80 0.06 0.00 2.01 0.00 0.00 34.83 36.08 2qqq s MET 69 CO 0.14 0.14 -0.03 0.99 -0.01 0.00 0.00 175.02 176.25 2qqq s THR 70 N -2.42 2.64 -0.16 2.05 2.01 -0.51 -4.92 115.64 114.32 2qqq s THR 70 Ca 0.10 -1.60 0.01 0.00 0.31 0.00 0.00 61.69 60.51 2qqq s THR 70 Cb -0.03 -2.58 0.02 0.00 0.01 0.00 0.00 72.50 69.91 2qqq s THR 70 CO 0.02 -0.15 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.92 2qqq s VAL 71 N 1.16 1.95 0.00 3.82 1.01 -1.26 -2.02 120.40 125.06 2qqq s VAL 71 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2qqq s VAL 71 Cb -0.20 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2qqq s VAL 71 CO -0.03 0.52 0.00 -0.46 0.00 0.00 0.00 175.10 175.13 2qqq n ASN 72 N 4.51 0.00 -0.06 3.32 0.23 -0.77 -4.96 115.26 117.52 2qqq n ASN 72 Ca -0.20 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.75 2qqq n ASN 72 Cb 0.50 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.17 2qqq n ASN 72 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2qqq h ASP 73 N 0.00 0.29 0.82 0.53 3.45 -2.02 -3.26 116.42 116.23 2qqq h ASP 73 Ca 0.00 -0.12 -0.22 0.00 0.43 0.00 0.00 57.03 57.12 2qqq h ASP 73 Cb 0.00 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 38.66 2qqq h ASP 73 CO 0.00 0.33 -1.27 1.56 -1.57 0.00 0.00 179.24 178.28 2qqq h GLN 74 N 0.22 0.00 -5.75 3.56 7.50 -1.96 -3.43 115.11 115.26 2qqq h GLN 74 Ca 0.08 0.00 -0.48 0.00 0.50 0.00 0.00 58.65 58.74 2qqq h GLN 74 Cb 0.12 0.00 -0.21 0.00 0.05 0.00 0.00 27.48 27.44 2qqq h GLN 74 CO -0.01 0.60 -0.80 0.15 -1.50 0.00 0.00 178.83 177.27 2qqq s LYS 75 N -2.75 1.01 -0.40 1.46 1.02 -1.23 -1.22 119.74 117.64 2qqq s LYS 75 Ca -0.01 -1.12 0.08 0.00 0.02 0.00 0.00 55.97 54.94 2qqq s LYS 75 Cb 0.09 -1.12 0.25 0.00 -0.52 0.00 0.00 37.83 36.53 2qqq s LYS 75 CO 0.81 0.25 0.53 0.34 -0.92 0.00 0.00 175.35 176.36 2qqq n PHE 76 N 1.01 -0.24 -4.32 3.18 7.35 -0.36 -1.85 117.46 122.23 2qqq n PHE 76 Ca -0.19 -3.58 -0.35 0.00 -0.76 0.00 0.00 57.45 52.57 2qqq n PHE 76 Cb 0.54 -0.36 -0.10 0.00 0.35 0.00 0.00 39.48 39.92 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 -1.25 5.25 -0.16 -2.13 1.01 -0.86 -3.55 116.67 114.98 2qqq s ASP 77 Ca 0.35 0.11 -0.10 0.00 0.71 0.00 0.00 52.55 53.62 2qqq s ASP 77 Cb 0.17 -1.59 -0.05 0.00 1.01 0.00 0.00 42.92 42.47 2qqq s ASP 77 CO -0.11 0.33 0.17 -0.22 0.21 0.00 0.00 175.17 175.55 2qqq s LEU 78 N -0.57 4.28 0.06 1.23 0.20 0.49 -1.43 118.68 122.93 2qqq s LEU 78 Ca 0.10 0.37 0.07 0.00 0.69 0.00 0.00 54.13 55.35 2qqq s LEU 78 Cb -0.12 -2.14 -0.03 0.00 -0.43 0.00 0.00 46.19 43.46 2qqq s LEU 78 CO 0.02 0.24 -0.15 0.20 -0.29 0.00 0.00 176.35 176.38 2qqq s ASN 79 N -0.09 4.06 -0.05 3.68 0.01 0.91 0.33 114.94 123.80 2qqq s ASN 79 Ca 0.12 -0.39 0.02 0.00 -0.71 0.00 0.00 52.86 51.91 2qqq s ASN 79 Cb -0.12 -0.72 0.01 0.00 0.41 0.00 0.00 41.25 40.83 2qqq s ASN 79 CO 0.01 0.24 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.10 2qqq s ILE 80 N -1.02 0.98 -0.19 0.60 1.01 0.90 -0.85 121.20 122.64 2qqq s ILE 80 Ca 0.17 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 2qqq s ILE 80 Cb -0.11 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 2qqq s ILE 80 CO 0.08 0.31 0.06 -0.63 0.00 0.00 0.00 174.94 174.76 2qqq s ILE 81 N 0.46 4.76 -0.28 2.92 1.01 -0.64 -0.17 121.20 129.25 2qqq s ILE 81 Ca -0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 2qqq s ILE 81 Cb -0.13 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2qqq s ILE 81 CO 0.02 0.45 0.23 0.61 0.00 0.00 0.00 174.94 176.25 2qqq n GLY 82 N 3.62 0.30 3.51 6.18 0.00 -0.99 -4.82 105.19 112.99 2qqq n GLY 82 Ca -0.16 -0.36 -0.48 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.87 -1.65 -2.64 4.61 0.00 0.87 -4.45 120.51 115.37 2qqq n ALA 83 Ca -0.06 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.63 2qqq n ALA 83 Cb 0.54 -1.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 2qqq n ALA 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2qqq s ARG 84 N -0.89 0.96 0.16 0.00 3.52 -1.26 0.22 118.95 121.65 2qqq s ARG 84 Ca 0.68 -0.80 -0.09 0.00 -0.13 0.00 0.00 55.73 55.38 2qqq s ARG 84 Cb -0.88 -0.99 0.20 0.00 -1.56 0.00 0.00 34.95 31.72 2qqq s ARG 84 CO 0.56 0.24 1.00 -0.85 -0.81 0.00 0.00 175.30 175.44 2qqq n GLU 85 N 1.81 -0.12 0.00 5.12 -0.00 -1.26 -0.71 120.64 125.48 2qqq n GLU 85 Ca -0.18 0.99 0.14 0.00 -0.00 0.00 0.00 57.16 58.11 2qqq n GLU 85 Cb 0.54 -1.48 0.81 0.00 -0.00 0.00 0.00 31.44 31.32 2qqq n GLU 85 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2qqq n ASP 86 N -4.98 0.00 0.22 -1.84 3.85 -1.26 -2.37 116.55 110.17 2qqq n ASP 86 Ca 0.08 -0.93 0.09 0.00 -0.71 0.00 0.00 54.79 53.32 2qqq n ASP 86 Cb 0.28 0.00 0.41 0.00 -1.35 0.00 0.00 41.12 40.46 2qqq n ASP 86 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2qqq h ASP 87 N 0.00 0.00 -4.06 -1.12 3.32 -1.33 -3.46 116.42 109.77 2qqq h ASP 87 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2qqq h ASP 87 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 2qqq h ASP 87 CO 0.00 0.24 0.57 -0.83 -1.72 0.00 0.00 179.24 177.50 2qqq s GLY 88 N -4.30 2.86 0.00 2.75 0.00 -1.00 -4.89 107.32 102.75 2qqq s GLY 88 Ca 0.01 1.26 0.00 0.00 0.00 0.00 0.00 44.72 45.99 2qqq s GLY 88 CO 0.65 1.75 0.00 0.61 0.00 0.00 0.00 173.10 176.10 2qqq n GLY 89 N 0.71 -0.28 3.32 0.20 0.00 -0.84 -4.53 105.19 103.76 2qqq n GLY 89 Ca 0.11 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 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 2.52 -0.08 1.61 2.02 0.13 -0.66 118.70 122.25 2qqq s GLU 90 Ca 0.00 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.17 2qqq s GLU 90 Cb 0.00 -2.21 -0.00 0.00 0.10 0.00 0.00 34.13 32.02 2qqq s GLU 90 CO 0.00 0.44 -0.21 0.71 0.02 0.00 0.00 175.26 176.22 2qqq s TYR 91 N -0.31 2.22 -0.05 1.61 1.51 -0.22 0.11 117.35 122.23 2qqq s TYR 91 Ca 0.01 -0.81 0.03 0.00 -1.01 0.00 0.00 57.07 55.29 2qqq s TYR 91 Cb -0.13 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 2qqq s TYR 91 CO 0.02 -0.31 -0.11 -0.06 -1.11 0.00 0.00 175.55 173.97 2qqq s PHE 92 N 0.24 1.30 -0.23 2.71 0.40 0.16 -1.13 117.98 121.44 2qqq s PHE 92 Ca -0.13 -0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.71 2qqq s PHE 92 Cb -0.16 -0.95 -0.03 0.00 0.51 0.00 0.00 43.02 42.39 2qqq s PHE 92 CO 0.06 -0.21 0.07 0.00 0.70 0.00 0.00 175.22 175.85 2qqq s GLY 94 N 1.20 0.40 -0.09 0.00 0.00 -0.47 -0.50 107.32 107.85 2qqq s GLY 94 Ca 0.05 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.94 2qqq s GLY 94 CO 0.04 -0.95 -0.24 1.85 0.00 0.00 0.00 173.10 173.80 2qqq s GLU 95 N -2.40 2.92 0.04 2.90 2.12 -0.17 -1.57 118.70 122.53 2qqq s GLU 95 Ca -0.06 -0.87 -0.25 0.00 0.36 0.00 0.00 54.97 54.15 2qqq s GLU 95 Cb -0.03 -2.25 -0.05 0.00 0.26 0.00 0.00 34.13 32.06 2qqq s GLU 95 CO -0.04 0.21 0.76 0.08 -0.54 0.00 0.00 175.26 175.74 2qqq s VAL 96 N 0.26 4.76 -0.17 3.70 1.01 -0.54 -1.43 120.40 127.98 2qqq s VAL 96 Ca -0.16 1.62 -0.03 0.00 0.00 0.00 0.00 61.98 63.41 2qqq s VAL 96 Cb -0.17 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.15 2qqq s VAL 96 CO 0.08 0.35 0.04 -0.70 0.00 0.00 0.00 175.10 174.87 2qqq s GLU 97 N 0.02 0.54 6.11 2.72 2.12 -0.52 -4.84 118.70 124.85 2qqq s GLU 97 Ca 0.39 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.45 2qqq s GLU 97 Cb -0.20 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.33 2qqq s GLU 97 CO 0.23 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 2qqq n GLY 98 N 5.11 1.65 0.13 -1.50 0.00 -1.26 -2.56 105.19 106.75 2qqq n GLY 98 Ca -0.08 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.82 -4.25 -0.61 -6.64 -1.26 -5.00 119.36 102.42 2qqq n ILE 99 Ca 0.00 -0.93 -0.34 0.00 -1.77 0.00 0.00 62.75 59.71 2qqq n ILE 99 Cb 0.00 0.40 -0.14 0.00 -1.44 0.00 0.00 39.64 38.46 2qqq n ILE 99 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 2qqq s ILE 100 N -1.10 3.35 -0.22 7.28 -1.09 -1.06 -5.08 121.20 123.28 2qqq s ILE 100 Ca 0.09 -0.52 -0.24 0.00 -2.23 0.00 0.00 60.65 57.75 2qqq s ILE 100 Cb 0.08 -2.48 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 2qqq s ILE 100 CO 0.01 0.47 0.78 -0.51 -1.23 0.00 0.00 174.94 174.46 2qqq s ILE 101 N 0.95 4.89 -0.28 2.92 -1.16 -1.26 -1.43 121.20 125.82 2qqq s ILE 101 Ca -0.01 1.49 -0.08 0.00 -0.51 0.00 0.00 60.65 61.55 2qqq s ILE 101 Cb -0.15 -4.08 -0.01 0.00 0.61 0.00 0.00 42.46 38.83 2qqq s ILE 101 CO 0.00 -0.01 0.09 -0.54 -2.81 0.00 0.00 174.94 171.67 2qqq s LYS 102 N 2.50 3.32 -0.23 3.50 1.02 -0.52 -4.93 119.74 124.40 2qqq s LYS 102 Ca 0.34 -0.71 -0.26 0.00 0.02 0.00 0.00 55.97 55.36 2qqq s LYS 102 Cb -0.16 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 2qqq s LYS 102 CO 0.09 -0.36 0.92 -0.06 -0.92 0.00 0.00 175.35 175.02 2qqq s PHE 103 N 1.56 3.33 -0.70 3.18 0.08 -1.26 -1.00 117.98 123.18 2qqq s PHE 103 Ca 0.04 1.29 0.23 0.00 0.12 0.00 0.00 56.93 58.61 2qqq s PHE 103 Cb -0.16 -3.14 0.02 0.00 -0.57 0.00 0.00 43.02 39.17 2qqq s PHE 103 CO 0.04 -0.42 1.01 0.25 -0.10 0.00 0.00 175.22 176.00 2qqq n THR 104 N 5.23 0.10 -3.58 0.64 -2.24 0.35 -4.95 114.28 109.84 2qqq n THR 104 Ca 0.08 -0.18 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 2qqq n THR 104 Cb 0.47 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 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 -3.66 -0.19 0.23 3.42 1.04 -1.15 -5.01 113.70 108.37 2qqq s SER 105 Ca 0.05 -0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.30 2qqq s SER 105 Cb 0.15 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.50 2qqq s SER 105 CO 0.81 -0.35 0.54 -0.83 0.98 0.00 0.00 173.24 174.39 2qqq s GLY 106 N -2.32 0.14 -0.05 7.32 0.00 -1.26 -0.73 107.32 110.42 2qqq s GLY 106 Ca 0.09 -0.49 0.02 0.00 0.00 0.00 0.00 44.72 44.34 2qqq s GLY 106 CO -0.06 -0.37 -0.09 -1.59 0.00 0.00 0.00 173.10 171.00 2qqq s THR 107 N -3.94 0.83 -0.32 0.90 2.01 -0.28 -0.39 115.64 114.45 2qqq s THR 107 Ca 0.14 -0.32 -0.24 0.00 0.31 0.00 0.00 61.69 61.58 2qqq s THR 107 Cb -0.02 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.72 2qqq s THR 107 CO 0.03 0.28 0.84 -0.60 -0.69 0.00 0.00 174.62 174.48 2qqq s ARG 108 N 0.61 3.94 -0.27 4.92 3.52 0.43 -1.05 118.95 131.06 2qqq s ARG 108 Ca -0.11 0.62 -0.16 0.00 -0.13 0.00 0.00 55.73 55.96 2qqq s ARG 108 Cb -0.13 -3.75 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 2qqq s ARG 108 CO 0.02 -0.75 0.43 -1.17 -0.81 0.00 0.00 175.30 173.01 2qqq s LEU 109 N 3.12 4.06 0.09 -0.88 2.96 0.17 0.32 118.68 128.51 2qqq s LEU 109 Ca 0.35 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 2qqq s LEU 109 Cb -0.14 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 2qqq s LEU 109 CO 0.14 -0.24 -0.06 0.00 -1.32 0.00 0.00 176.35 174.87 2qqq s GLN 110 N 2.17 0.79 0.00 1.98 -2.07 0.70 -2.00 119.66 121.24 2qqq s GLN 110 Ca 0.17 -1.29 0.19 0.00 -1.82 0.00 0.00 55.36 52.61 2qqq s GLN 110 Cb -0.16 -0.15 0.15 0.00 -1.09 0.00 0.00 33.01 31.76 2qqq s GLN 110 CO 0.10 -0.03 1.10 1.19 -1.32 0.00 0.00 175.29 176.33