#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 0.39 0.24 0.38 2.47 -1.26 -5.16 119.74 116.80 2qqq s LYS 4 Ca 0.00 0.96 -0.27 0.00 -1.56 0.00 0.00 55.97 55.10 2qqq s LYS 4 Cb 0.00 0.19 -0.09 0.00 -1.46 0.00 0.00 37.83 36.47 2qqq s LYS 4 CO 0.00 -0.20 0.88 -2.00 0.16 0.00 0.00 175.35 174.19 2qqq s GLU 5 N 2.06 4.66 0.39 4.03 2.12 -1.26 -4.97 118.70 125.73 2qqq s GLU 5 Ca -0.06 1.31 -0.26 0.00 0.36 0.00 0.00 54.97 56.32 2qqq s GLU 5 Cb -0.10 -3.11 -0.09 0.00 0.26 0.00 0.00 34.13 31.09 2qqq s GLU 5 CO -0.13 0.46 1.25 -0.51 -0.54 0.00 0.00 175.26 175.79 2qqq s LEU 6 N -1.48 4.25 -0.24 2.70 1.43 -1.26 -4.63 118.68 119.45 2qqq s LEU 6 Ca 0.42 2.55 -0.29 0.00 -1.03 0.00 0.00 54.13 55.78 2qqq s LEU 6 Cb -0.22 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.10 2qqq s LEU 6 CO 0.27 -0.73 1.16 -1.00 0.23 0.00 0.00 176.35 176.29 2qqq s HIS 7 N -1.29 3.03 -0.20 0.29 3.76 0.24 -4.85 115.29 116.28 2qqq s HIS 7 Ca 0.55 1.17 -0.19 0.00 -0.15 0.00 0.00 55.06 56.44 2qqq s HIS 7 Cb -0.36 -3.53 -0.03 0.00 1.11 0.00 0.00 32.58 29.77 2qqq s HIS 7 CO 0.46 -1.14 0.55 0.08 -0.85 0.00 0.00 174.74 173.83 2qqq s VAL 8 N 3.57 5.08 -0.11 -0.90 1.01 -1.26 -1.38 120.40 126.41 2qqq s VAL 8 Ca 0.50 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.51 2qqq s VAL 8 Cb -0.17 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2qqq s VAL 8 CO 0.13 0.15 -0.15 -0.54 0.00 0.00 0.00 175.10 174.69 2qqq s LYS 9 N 1.74 2.27 -0.11 2.72 1.02 -0.01 -4.96 119.74 122.41 2qqq s LYS 9 Ca 0.25 -0.58 -0.17 0.00 0.02 0.00 0.00 55.97 55.50 2qqq s LYS 9 Cb -0.16 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 2qqq s LYS 9 CO 0.10 -0.08 0.43 0.99 -0.92 0.00 0.00 175.35 175.87 2qqq s THR 10 N 1.02 5.19 0.03 2.17 2.01 -1.26 -0.52 115.64 124.29 2qqq s THR 10 Ca -0.06 0.85 0.01 0.00 0.31 0.00 0.00 61.69 62.80 2qqq s THR 10 Cb -0.15 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2qqq s THR 10 CO -0.02 0.37 -0.05 0.54 -0.69 0.00 0.00 174.62 174.76 2qqq s VAL 11 N 0.38 0.34 0.04 3.82 0.11 -0.62 -4.95 120.40 119.52 2qqq s VAL 11 Ca 0.24 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 2qqq s VAL 11 Cb -0.15 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 2qqq s VAL 11 CO 0.09 -0.48 0.13 -0.54 -3.33 0.00 0.00 175.10 170.97 2qqq s LYS 12 N -1.73 3.18 0.24 1.54 1.02 -1.26 -4.37 119.74 118.36 2qqq s LYS 12 Ca -0.11 -0.50 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 2qqq s LYS 12 Cb -0.09 -2.91 -0.14 0.00 -0.52 0.00 0.00 37.83 34.17 2qqq s LYS 12 CO -0.01 0.62 1.17 0.54 -0.92 0.00 0.00 175.35 176.75 2qqq n ARG 13 N 0.68 1.46 -0.91 1.68 1.74 -1.26 -1.34 116.66 118.71 2qqq n ARG 13 Ca -0.09 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 2qqq n ARG 13 Cb 0.52 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 2qqq n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qqq n GLY 14 N 1.71 0.73 3.92 -0.13 0.00 0.50 -4.87 105.19 107.06 2qqq n GLY 14 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.24 2.44 0.03 1.61 2.12 -0.45 -3.98 118.70 120.23 2qqq s GLU 15 Ca 0.00 -0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.23 2qqq s GLU 15 Cb 0.00 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.19 2qqq s GLU 15 CO 0.00 -1.11 0.23 -0.80 -0.54 0.00 0.00 175.26 173.04 2qqq s ASN 16 N -4.45 6.40 -0.01 -1.70 0.01 -1.26 0.33 114.94 114.27 2qqq s ASN 16 Ca 0.58 0.39 0.02 0.00 -0.71 0.00 0.00 52.86 53.14 2qqq s ASN 16 Cb -0.11 -2.01 -0.00 0.00 0.41 0.00 0.00 41.25 39.54 2qqq s ASN 16 CO 0.46 0.21 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.51 2qqq s VAL 17 N -1.42 0.41 -0.06 1.60 1.01 0.13 -4.97 120.40 117.11 2qqq s VAL 17 Ca 0.31 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.14 2qqq s VAL 17 Cb -0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2qqq s VAL 17 CO 0.22 0.12 -0.24 0.42 0.00 0.00 0.00 175.10 175.62 2qqq s THR 18 N -0.05 2.16 -0.09 3.92 -4.23 -1.26 0.24 115.64 116.33 2qqq s THR 18 Ca 0.01 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.52 2qqq s THR 18 Cb -0.03 -1.79 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 2qqq s THR 18 CO -0.00 0.57 -0.19 -0.04 -0.54 0.00 0.00 174.62 174.42 2qqq s MET 19 N -0.22 2.95 0.05 3.99 -1.94 0.19 -4.97 119.30 119.36 2qqq s MET 19 Ca -0.02 -0.79 -0.08 0.00 -1.71 0.00 0.00 55.69 53.10 2qqq s MET 19 Cb -0.13 -2.39 -0.05 0.00 2.01 0.00 0.00 34.83 34.26 2qqq s MET 19 CO 0.03 0.32 0.34 -1.21 -0.01 0.00 0.00 175.02 174.48 2qqq s GLU 20 N 0.04 3.66 -0.08 2.03 2.02 -1.26 -1.04 118.70 124.07 2qqq s GLU 20 Ca -0.07 0.03 -0.09 0.00 0.02 0.00 0.00 54.97 54.85 2qqq s GLU 20 Cb -0.15 -3.02 0.02 0.00 0.10 0.00 0.00 34.13 31.08 2qqq s GLU 20 CO 0.05 0.59 0.25 0.00 0.02 0.00 0.00 175.26 176.18 2qqq s SER 22 N -0.10 6.35 -0.22 0.00 0.15 -1.26 -1.51 113.70 117.11 2qqq s SER 22 Ca -0.02 0.41 -0.10 0.00 0.70 0.00 0.00 55.95 56.94 2qqq s SER 22 Cb -0.03 -2.10 -0.18 0.00 -1.71 0.00 0.00 66.02 62.01 2qqq s SER 22 CO 0.01 0.29 -0.04 0.80 1.20 0.00 0.00 173.24 175.49 2qqq n MET 23 N 2.70 0.64 -0.79 5.44 0.00 0.41 -4.35 117.12 121.17 2qqq n MET 23 Ca -0.17 0.31 -0.15 0.00 0.00 0.00 0.00 57.70 57.68 2qqq n MET 23 Cb 0.53 -1.60 -0.09 0.00 0.00 0.00 0.00 33.22 32.06 2qqq n MET 23 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2qqq n SER 24 N -3.88 4.58 -0.73 6.12 3.41 -1.23 -0.41 113.62 121.47 2qqq n SER 24 Ca -0.43 -2.27 -0.04 0.00 -0.26 0.00 0.00 58.87 55.88 2qqq n SER 24 Cb 0.90 -1.10 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 2qqq n SER 24 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qqq n LYS 25 N 3.07 0.00 -3.01 4.33 3.00 -1.26 -5.14 118.16 119.15 2qqq n LYS 25 Ca 0.39 -0.53 -0.34 0.00 -0.00 0.00 0.00 58.31 57.83 2qqq n LYS 25 Cb 0.50 0.31 -0.06 0.00 0.00 0.00 0.00 35.03 35.78 2qqq n LYS 25 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2qqq s VAL 26 N 0.00 4.53 -0.18 3.15 1.01 0.45 -5.02 120.40 124.34 2qqq s VAL 26 Ca 0.00 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.01 2qqq s VAL 26 Cb 0.00 -3.73 -0.22 0.00 0.00 0.00 0.00 36.38 32.43 2qqq s VAL 26 CO 0.00 -0.06 0.42 0.74 0.00 0.00 0.00 175.10 176.20 2qqq h THR 27 N 2.25 1.22 -3.19 3.92 2.02 -1.99 -3.45 112.91 113.69 2qqq h THR 27 Ca -0.48 -2.25 -0.59 0.00 0.77 0.00 0.00 66.41 63.87 2qqq h THR 27 Cb 1.18 2.65 -0.40 0.00 -1.74 0.00 0.00 68.15 69.84 2qqq h THR 27 CO 0.64 0.44 -0.75 0.21 0.37 0.00 0.00 175.52 176.43 2qqq s ASN 28 N -6.65 4.04 0.30 4.18 3.04 -1.26 -5.03 114.94 113.56 2qqq s ASN 28 Ca -0.25 -1.64 0.05 0.00 0.04 0.00 0.00 52.86 51.07 2qqq s ASN 28 Cb 0.03 -0.91 0.71 0.00 -1.54 0.00 0.00 41.25 39.54 2qqq s ASN 28 CO 0.64 -0.41 1.80 0.11 -3.04 0.00 0.00 177.10 176.20 2qqq h LYS 29 N 8.06 0.79 0.00 0.43 1.57 -1.98 0.11 116.57 125.55 2qqq h LYS 29 Ca -0.13 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2qqq h LYS 29 Cb 1.02 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2qqq h LYS 29 CO 0.47 0.52 0.00 0.09 -0.57 0.00 0.00 179.45 179.96 2qqq n ASN 30 N -4.71 0.00 -0.65 0.86 4.13 -1.26 -1.42 115.26 112.21 2qqq n ASN 30 Ca 0.22 0.17 0.13 0.00 1.68 0.00 0.00 54.58 56.78 2qqq n ASN 30 Cb 0.52 -0.33 0.37 0.00 -1.54 0.00 0.00 39.78 38.80 2qqq n ASN 30 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2qqq n ASN 31 N -1.33 2.03 -4.82 6.41 5.03 0.36 -4.77 115.26 118.18 2qqq n ASN 31 Ca 0.06 -1.67 -0.38 0.00 0.87 0.00 0.00 54.58 53.46 2qqq n ASN 31 Cb 0.12 0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.82 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 -2.01 4.48 -0.16 3.41 2.96 -0.51 -2.19 118.68 124.66 2qqq s LEU 32 Ca 0.34 1.05 -0.28 0.00 -0.22 0.00 0.00 54.13 55.02 2qqq s LEU 32 Cb 0.21 -2.70 0.08 0.00 0.50 0.00 0.00 46.19 44.27 2qqq s LEU 32 CO 0.33 0.28 0.73 0.00 -1.32 0.00 0.00 176.35 176.37 2qqq s ALA 33 N -0.93 -1.79 0.12 5.97 0.00 -0.81 -1.04 121.76 123.27 2qqq s ALA 33 Ca 0.26 1.67 -0.13 0.00 0.00 0.00 0.00 51.96 53.76 2qqq s ALA 33 Cb -0.17 -0.63 -0.07 0.00 0.00 0.00 0.00 23.12 22.25 2qqq s ALA 33 CO 0.15 -0.35 0.50 -1.58 0.00 0.00 0.00 175.76 174.49 2qqq s TRP 34 N -0.43 3.61 0.08 0.00 0.52 0.17 -1.25 118.94 121.65 2qqq s TRP 34 Ca -0.05 0.99 0.08 0.00 0.02 0.00 0.00 56.10 57.15 2qqq s TRP 34 Cb -0.02 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.94 2qqq s TRP 34 CO 0.05 0.47 -0.19 0.71 0.02 0.00 0.00 176.95 178.00 2qqq s TYR 35 N -1.41 2.51 -0.09 -1.98 1.51 0.56 -0.98 117.35 117.46 2qqq s TYR 35 Ca 0.35 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 2qqq s TYR 35 Cb -0.15 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.33 2qqq s TYR 35 CO 0.19 0.31 -0.14 0.50 -1.11 0.00 0.00 175.55 175.29 2qqq s ARG 36 N -1.79 2.01 -0.35 -0.62 3.52 0.08 -0.93 118.95 120.87 2qqq s ARG 36 Ca 0.16 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 2qqq s ARG 36 Cb -0.10 -1.69 0.09 0.00 -1.56 0.00 0.00 34.95 31.68 2qqq s ARG 36 CO 0.07 -0.02 0.09 -1.14 -0.81 0.00 0.00 175.30 173.49 2qqq s GLN 37 N 0.84 2.03 0.49 5.12 0.74 0.32 -1.47 119.66 127.74 2qqq s GLN 37 Ca -0.10 -1.63 -0.21 0.00 0.05 0.00 0.00 55.36 53.46 2qqq s GLN 37 Cb -0.15 -3.33 -0.07 0.00 1.10 0.00 0.00 33.01 30.56 2qqq s GLN 37 CO 0.01 -0.87 1.15 -1.12 -0.55 0.00 0.00 175.29 173.91 2qqq s SER 38 N 1.40 6.00 0.22 6.67 0.01 -1.26 -0.72 113.70 126.01 2qqq s SER 38 Ca 0.04 2.24 -0.32 0.00 1.31 0.00 0.00 55.95 59.22 2qqq s SER 38 Cb -0.21 -2.59 -0.13 0.00 0.21 0.00 0.00 66.02 63.30 2qqq s SER 38 CO -0.04 -1.03 1.61 0.49 0.41 0.00 0.00 173.24 174.68 2qqq n PHE 39 N -0.82 2.56 -0.99 2.43 3.72 -1.26 -1.11 117.46 121.98 2qqq n PHE 39 Ca 0.09 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 2qqq n PHE 39 Cb 0.49 -2.59 0.00 0.00 -0.94 0.00 0.00 39.48 36.44 2qqq n PHE 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qqq n GLY 40 N 3.12 0.39 3.45 1.37 0.00 -1.26 -5.01 105.19 107.24 2qqq n GLY 40 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.53 1.60 0.31 1.61 3.01 -0.27 -5.13 119.74 120.35 2qqq s LYS 41 Ca 0.00 -1.63 -0.29 0.00 -1.01 0.00 0.00 55.97 53.03 2qqq s LYS 41 Cb 0.00 -1.82 -0.11 0.00 -1.01 0.00 0.00 37.83 34.90 2qqq s LYS 41 CO 0.00 0.37 1.49 0.08 0.51 0.00 0.00 175.35 177.80 2qqq s VAL 42 N -2.06 2.29 0.67 3.17 1.01 -1.26 -4.65 120.40 119.57 2qqq s VAL 42 Ca 0.25 0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 2qqq s VAL 42 Cb -0.07 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2qqq s VAL 42 CO 0.12 0.05 1.27 -2.84 0.00 0.00 0.00 175.10 173.70 2qqq s PRO 43 N -1.02 2.43 0.01 2.72 0.02 -1.26 -4.70 135.00 133.19 2qqq s PRO 43 Ca 0.58 1.99 0.03 0.00 0.02 0.00 0.00 61.00 63.61 2qqq s PRO 43 Cb -0.45 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.22 2qqq s PRO 43 CO 0.51 -1.67 -0.09 -0.65 -0.33 0.00 0.00 177.00 174.77 2qqq s GLN 44 N -3.51 0.70 0.16 5.54 -0.21 -0.54 -4.95 119.66 116.84 2qqq s GLN 44 Ca 0.80 -0.43 -0.34 0.00 0.02 0.00 0.00 55.36 55.41 2qqq s GLN 44 Cb -0.35 -0.66 -0.14 0.00 1.00 0.00 0.00 33.01 32.85 2qqq s GLN 44 CO 0.41 0.17 1.56 0.98 -2.12 0.00 0.00 175.29 176.30 2qqq n TYR 45 N 2.54 2.23 0.01 0.91 9.36 -1.26 -0.74 117.16 130.21 2qqq n TYR 45 Ca -0.15 0.29 -0.01 0.00 3.32 0.00 0.00 57.90 61.34 2qqq n TYR 45 Cb 0.56 -2.53 -0.00 0.00 -0.63 0.00 0.00 39.34 36.74 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 3.38 0.00 -3.74 2.98 7.35 -0.16 -4.75 117.46 122.53 2qqq n PHE 46 Ca 0.17 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.74 2qqq n PHE 46 Cb 0.28 -0.06 -0.11 0.00 0.35 0.00 0.00 39.48 39.95 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 -2.05 -0.01 0.27 -2.13 0.11 -1.03 0.25 120.40 115.81 2qqq s VAL 47 Ca -0.03 0.03 0.10 0.00 -2.93 0.00 0.00 61.98 59.15 2qqq s VAL 47 Cb 0.01 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2qqq s VAL 47 CO 0.03 0.01 -0.03 0.00 -3.33 0.00 0.00 175.10 171.78 2qqq s ARG 48 N 0.48 2.20 0.37 1.54 1.70 -0.79 -0.65 118.95 123.80 2qqq s ARG 48 Ca -0.02 -1.46 -0.26 0.00 -0.47 0.00 0.00 55.73 53.51 2qqq s ARG 48 Cb -0.04 -2.11 -0.09 0.00 -0.57 0.00 0.00 34.95 32.14 2qqq s ARG 48 CO -0.02 0.36 1.17 -0.47 -1.08 0.00 0.00 175.30 175.26 2qqq s TYR 49 N -2.33 3.15 -0.24 5.89 6.14 -0.21 -1.11 117.35 128.64 2qqq s TYR 49 Ca 0.31 1.56 -0.08 0.00 0.64 0.00 0.00 57.07 59.50 2qqq s TYR 49 Cb -0.06 -3.40 0.11 0.00 0.42 0.00 0.00 41.96 39.03 2qqq s TYR 49 CO 0.19 -1.23 0.52 -0.47 0.64 0.00 0.00 175.55 175.20 2qqq s TYR 50 N -1.36 -1.04 0.49 4.97 5.04 0.09 -4.74 117.35 120.81 2qqq s TYR 50 Ca 0.54 1.88 -0.20 0.00 -2.44 0.00 0.00 57.07 56.86 2qqq s TYR 50 Cb -0.31 0.53 -0.12 0.00 0.35 0.00 0.00 41.96 42.40 2qqq s TYR 50 CO 0.40 -0.56 0.33 0.43 -1.34 0.00 0.00 175.55 174.80 2qqq n SER 51 N 5.40 -1.83 -0.99 4.32 7.64 -1.26 -3.27 113.62 123.62 2qqq n SER 51 Ca -0.10 0.78 0.01 0.00 1.01 0.00 0.00 58.87 60.57 2qqq n SER 51 Cb 0.49 -1.05 0.13 0.00 -1.01 0.00 0.00 64.21 62.77 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 1.42 2.60 0.04 6.43 3.41 -1.26 -4.53 113.62 121.73 2qqq n SER 52 Ca 0.11 -2.32 -0.02 0.00 -0.26 0.00 0.00 58.87 56.37 2qqq n SER 52 Cb 0.44 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 63.82 2qqq n SER 52 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2qqq h ASN 53 N 1.22 -0.13 0.02 4.04 -1.24 -1.94 0.99 115.58 118.54 2qqq h ASN 53 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2qqq h ASN 53 Cb 1.03 0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.12 2qqq h ASN 53 CO 0.18 0.08 -0.00 -1.54 -1.29 0.00 0.00 177.43 174.85 2qqq n SER 54 N -3.38 0.39 0.00 1.15 3.41 -1.26 -4.94 113.62 108.99 2qqq n SER 54 Ca -0.02 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 2qqq n SER 54 Cb 0.06 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2qqq n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qqq n GLY 55 N 1.06 2.55 3.38 5.00 0.00 0.34 -4.73 105.19 112.79 2qqq n GLY 55 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.22 -0.06 -0.08 1.61 -0.85 -1.20 -0.73 117.35 113.80 2qqq s TYR 56 Ca 0.00 -0.28 -0.03 0.00 -0.52 0.00 0.00 57.07 56.24 2qqq s TYR 56 Cb 0.00 0.23 0.05 0.00 0.38 0.00 0.00 41.96 42.62 2qqq s TYR 56 CO 0.00 -0.76 0.16 0.21 -1.52 0.00 0.00 175.55 173.64 2qqq s LYS 57 N -3.85 0.04 0.63 -3.49 2.20 -0.26 -4.75 119.74 110.25 2qqq s LYS 57 Ca 0.07 0.55 -0.17 0.00 -0.36 0.00 0.00 55.97 56.06 2qqq s LYS 57 Cb 0.01 -0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.06 2qqq s LYS 57 CO -0.07 -0.29 1.16 -0.06 -0.36 0.00 0.00 175.35 175.72 2qqq s PHE 58 N 2.18 2.46 0.44 4.03 0.08 -1.26 -1.89 117.98 124.02 2qqq s PHE 58 Ca 0.02 1.55 -0.23 0.00 0.12 0.00 0.00 56.93 58.39 2qqq s PHE 58 Cb -0.12 -3.34 -0.10 0.00 -0.57 0.00 0.00 43.02 38.89 2qqq s PHE 58 CO -0.06 -1.97 0.87 0.00 -0.10 0.00 0.00 175.22 173.96 2qqq n ALA 59 N -2.00 -0.30 -0.35 5.36 0.00 0.14 -4.89 120.51 118.47 2qqq n ALA 59 Ca 0.12 0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.75 2qqq n ALA 59 Cb 0.51 -2.00 0.06 0.00 0.00 0.00 0.00 19.45 18.02 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 0.12 -0.18 -0.96 0.00 -0.58 -1.26 -2.01 120.64 115.77 2qqq n GLU 60 Ca 0.11 1.43 -0.11 0.00 -0.42 0.00 0.00 57.16 58.16 2qqq n GLU 60 Cb 0.40 -2.12 -0.16 0.00 -0.57 0.00 0.00 31.44 28.99 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 -1.48 2.96 3.36 0.62 0.00 -1.26 -4.81 105.19 104.58 2qqq n GLY 61 Ca 0.11 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 0.96 -0.68 0.00 1.61 5.36 -0.85 -5.05 117.98 119.33 2qqq s PHE 62 Ca 0.63 1.45 0.08 0.00 -0.96 0.00 0.00 56.93 58.13 2qqq s PHE 62 Cb 0.30 0.33 0.12 0.00 -0.34 0.00 0.00 43.02 43.43 2qqq s PHE 62 CO 0.00 -0.37 1.03 1.63 -1.46 0.00 0.00 175.22 176.05 2qqq n LYS 63 N 4.05 0.00 -3.11 10.12 4.76 -1.26 -4.87 118.16 127.86 2qqq n LYS 63 Ca -0.21 -1.24 -0.41 0.00 -2.87 0.00 0.00 58.31 53.57 2qqq n LYS 63 Cb 0.56 -0.31 -0.07 0.00 -1.84 0.00 0.00 35.03 33.37 2qqq n LYS 63 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2qqq s ASP 64 N -1.24 6.46 0.14 4.39 -1.08 -1.26 -4.95 116.67 119.12 2qqq s ASP 64 Ca 0.10 0.27 0.23 0.00 -0.52 0.00 0.00 52.55 52.63 2qqq s ASP 64 Cb 0.11 -2.33 0.90 0.00 -1.46 0.00 0.00 42.92 40.14 2qqq s ASP 64 CO -0.05 -0.55 1.71 -1.54 0.52 0.00 0.00 175.17 175.26 2qqq n SER 65 N 5.99 0.43 0.27 -0.34 3.41 -1.26 -2.57 113.62 119.54 2qqq n SER 65 Ca -0.01 0.58 0.17 0.00 -0.26 0.00 0.00 58.87 59.35 2qqq n SER 65 Cb 0.49 -0.68 0.73 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.00 0.00 -5.35 4.33 3.08 -1.93 -3.44 114.38 111.08 2qqq h ARG 66 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2qqq h ARG 66 Cb 0.45 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.38 2qqq h ARG 66 CO 0.00 0.00 -0.34 -0.06 -1.07 0.00 0.00 179.97 178.50 2qqq s PHE 67 N -3.69 3.39 0.27 3.04 0.08 -1.06 -1.41 117.98 118.60 2qqq s PHE 67 Ca 0.01 0.49 0.01 0.00 0.12 0.00 0.00 56.93 57.55 2qqq s PHE 67 Cb 0.09 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2qqq s PHE 67 CO 0.50 0.11 0.27 0.45 -0.10 0.00 0.00 175.22 176.45 2qqq s SER 68 N 0.82 0.80 0.04 1.36 0.15 -0.49 -5.01 113.70 111.37 2qqq s SER 68 Ca 0.15 -1.50 0.04 0.00 0.70 0.00 0.00 55.95 55.33 2qqq s SER 68 Cb -0.14 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.66 2qqq s SER 68 CO 0.05 -1.02 -0.11 -0.04 1.20 0.00 0.00 173.24 173.32 2qqq s MET 69 N -3.71 0.71 -0.39 5.44 -1.94 -1.26 -0.64 119.30 117.51 2qqq s MET 69 Ca 0.37 -0.70 -0.11 0.00 -1.71 0.00 0.00 55.69 53.53 2qqq s MET 69 Cb 0.03 -0.64 0.04 0.00 2.01 0.00 0.00 34.83 36.27 2qqq s MET 69 CO 0.19 0.15 0.24 0.99 -0.01 0.00 0.00 175.02 176.58 2qqq s THR 70 N -0.97 4.62 -0.18 2.05 2.01 0.92 -4.93 115.64 119.17 2qqq s THR 70 Ca -0.03 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.01 2qqq s THR 70 Cb -0.08 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2qqq s THR 70 CO 0.01 -0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.78 2qqq s VAL 71 N 1.55 2.60 0.00 3.82 1.01 -1.26 -1.44 120.40 126.68 2qqq s VAL 71 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2qqq s VAL 71 Cb -0.20 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2qqq s VAL 71 CO 0.06 0.50 0.00 -0.46 0.00 0.00 0.00 175.10 175.21 2qqq n ASN 72 N 4.39 0.00 0.25 3.32 0.23 -0.66 -4.94 115.26 117.84 2qqq n ASN 72 Ca -0.19 -0.61 0.16 0.00 -0.53 0.00 0.00 54.58 53.41 2qqq n ASN 72 Cb 0.51 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 38.89 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 0.00 0.00 0.53 3.32 -2.00 -3.19 116.42 115.08 2qqq h ASP 73 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 2qqq h ASP 73 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2qqq h ASP 73 CO 0.00 0.00 -2.29 0.00 -1.72 0.00 0.00 179.24 175.23 2qqq n GLN 74 N -2.88 0.78 -4.33 3.56 3.00 -1.26 -3.87 117.38 112.38 2qqq n GLN 74 Ca 0.01 0.07 -0.25 0.00 -0.01 0.00 0.00 57.00 56.82 2qqq n GLN 74 Cb 0.27 -1.46 -0.12 0.00 0.00 0.00 0.00 30.24 28.92 2qqq n GLN 74 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2qqq s LYS 75 N -2.45 1.26 -0.43 -1.09 1.02 -1.20 -0.45 119.74 116.39 2qqq s LYS 75 Ca -0.21 -1.30 0.07 0.00 0.02 0.00 0.00 55.97 54.54 2qqq s LYS 75 Cb 0.07 -1.54 0.24 0.00 -0.52 0.00 0.00 37.83 36.08 2qqq s LYS 75 CO 0.63 0.35 0.52 0.34 -0.92 0.00 0.00 175.35 176.26 2qqq n PHE 76 N 0.76 0.15 -4.35 3.18 7.35 -0.57 -1.66 117.46 122.33 2qqq n PHE 76 Ca -0.17 -3.62 -0.35 0.00 -0.76 0.00 0.00 57.45 52.56 2qqq n PHE 76 Cb 0.55 -0.29 -0.10 0.00 0.35 0.00 0.00 39.48 39.99 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 -1.16 5.18 -0.26 -2.13 1.01 -0.52 -3.75 116.67 115.04 2qqq s ASP 77 Ca 0.35 0.08 -0.14 0.00 0.71 0.00 0.00 52.55 53.55 2qqq s ASP 77 Cb 0.14 -1.58 -0.04 0.00 1.01 0.00 0.00 42.92 42.45 2qqq s ASP 77 CO -0.11 0.32 0.33 -0.22 0.21 0.00 0.00 175.17 175.70 2qqq s LEU 78 N -0.51 4.06 -0.09 1.23 0.20 -0.21 -0.05 118.68 123.31 2qqq s LEU 78 Ca 0.09 0.27 -0.02 0.00 0.69 0.00 0.00 54.13 55.16 2qqq s LEU 78 Cb -0.12 -2.37 -0.03 0.00 -0.43 0.00 0.00 46.19 43.23 2qqq s LEU 78 CO 0.02 -0.13 0.00 0.20 -0.29 0.00 0.00 176.35 176.16 2qqq s ASN 79 N 1.50 5.25 -0.08 3.68 0.01 0.19 0.54 114.94 126.03 2qqq s ASN 79 Ca 0.14 0.14 0.04 0.00 -0.71 0.00 0.00 52.86 52.47 2qqq s ASN 79 Cb -0.15 -1.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 2qqq s ASN 79 CO 0.09 0.36 -0.23 -0.63 -1.51 0.00 0.00 177.10 175.19 2qqq s ILE 80 N -0.78 2.21 -0.21 0.60 1.01 0.14 -1.40 121.20 122.76 2qqq s ILE 80 Ca 0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 2qqq s ILE 80 Cb -0.12 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 2qqq s ILE 80 CO 0.02 0.56 -0.01 -0.63 0.00 0.00 0.00 174.94 174.88 2qqq s ILE 81 N 0.10 3.73 -0.11 2.92 -1.09 -0.50 0.18 121.20 126.42 2qqq s ILE 81 Ca -0.11 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 57.93 2qqq s ILE 81 Cb -0.16 -2.69 -0.01 0.00 -1.58 0.00 0.00 42.46 38.02 2qqq s ILE 81 CO 0.06 0.42 0.10 0.61 -1.23 0.00 0.00 174.94 174.90 2qqq n GLY 82 N 4.47 0.57 3.71 6.18 0.00 -0.81 -4.68 105.19 114.64 2qqq n GLY 82 Ca -0.17 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.63 1.37 -2.50 4.61 0.00 0.15 -4.50 120.51 118.01 2qqq n ALA 83 Ca -0.01 0.30 -0.24 0.00 0.00 0.00 0.00 53.44 53.49 2qqq n ALA 83 Cb 0.51 -2.27 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 2qqq n ALA 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qqq s ARG 84 N -2.10 1.76 0.44 0.00 0.52 -1.26 -0.37 118.95 117.93 2qqq s ARG 84 Ca 0.59 -1.79 0.09 0.00 -0.52 0.00 0.00 55.73 54.10 2qqq s ARG 84 Cb -0.52 -1.78 0.96 0.00 0.52 0.00 0.00 34.95 34.13 2qqq s ARG 84 CO 0.60 0.28 2.08 1.49 0.02 0.00 0.00 175.30 179.77 2qqq h GLU 85 N 2.18 0.40 0.00 3.54 4.81 -1.97 -1.47 114.58 122.07 2qqq h GLU 85 Ca -0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2qqq h GLU 85 Cb 1.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2qqq h GLU 85 CO 0.63 0.27 0.00 -0.25 -0.73 0.00 0.00 179.01 178.92 2qqq n ASP 86 N -4.49 0.62 0.11 1.04 8.00 -1.26 -1.52 116.55 119.05 2qqq n ASP 86 Ca 0.01 0.71 0.11 0.00 0.71 0.00 0.00 54.79 56.34 2qqq n ASP 86 Cb 0.07 -0.82 0.46 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.25 0.57 -4.75 -2.24 8.00 -0.55 -4.82 116.55 110.51 2qqq n ASP 87 Ca 0.00 0.63 -0.39 0.00 0.71 0.00 0.00 54.79 55.74 2qqq n ASP 87 Cb 0.13 -0.75 0.03 0.00 -0.02 0.00 0.00 41.12 40.51 2qqq n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qqq n GLY 88 N 0.20 0.90 0.00 0.44 0.00 -0.58 -4.86 105.19 101.29 2qqq n GLY 88 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.66 0.29 3.30 -0.02 0.00 -0.31 -4.56 105.19 104.55 2qqq n GLY 89 Ca 0.07 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 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 1.91 -0.07 1.61 2.02 0.10 0.21 118.70 122.48 2qqq s GLU 90 Ca 0.00 -0.94 0.02 0.00 0.02 0.00 0.00 54.97 54.07 2qqq s GLU 90 Cb 0.00 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.33 2qqq s GLU 90 CO 0.00 0.52 -0.13 0.71 0.02 0.00 0.00 175.26 176.37 2qqq s TYR 91 N -0.65 1.61 -0.03 1.61 1.51 0.11 0.12 117.35 121.62 2qqq s TYR 91 Ca 0.10 -0.63 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 2qqq s TYR 91 Cb -0.10 -1.17 -0.00 0.00 -0.11 0.00 0.00 41.96 40.58 2qqq s TYR 91 CO -0.00 -0.32 -0.15 -0.06 -1.11 0.00 0.00 175.55 173.92 2qqq s PHE 92 N 0.70 1.46 -0.19 2.71 0.40 -0.11 -0.96 117.98 122.01 2qqq s PHE 92 Ca -0.14 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.76 2qqq s PHE 92 Cb -0.16 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.36 2qqq s PHE 92 CO 0.03 -0.13 -0.03 0.00 0.70 0.00 0.00 175.22 175.79 2qqq s GLY 94 N 0.91 -0.06 -0.14 0.00 0.00 -0.38 0.12 107.32 107.77 2qqq s GLY 94 Ca -0.00 -0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.49 2qqq s GLY 94 CO 0.01 -0.46 -0.20 1.85 0.00 0.00 0.00 173.10 174.30 2qqq s GLU 95 N -3.25 3.10 -0.16 2.90 2.12 0.18 -1.93 118.70 121.66 2qqq s GLU 95 Ca -0.00 -0.82 -0.29 0.00 0.36 0.00 0.00 54.97 54.22 2qqq s GLU 95 Cb 0.02 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.90 2qqq s GLU 95 CO -0.08 0.04 1.47 0.08 -0.54 0.00 0.00 175.26 176.23 2qqq s VAL 96 N 0.72 3.92 -0.33 3.70 1.01 -0.93 -1.30 120.40 127.19 2qqq s VAL 96 Ca -0.09 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 2qqq s VAL 96 Cb -0.16 -3.78 0.07 0.00 0.00 0.00 0.00 36.38 32.51 2qqq s VAL 96 CO 0.01 -0.19 0.05 -1.61 0.00 0.00 0.00 175.10 173.36 2qqq s GLU 97 N 4.02 2.20 -0.88 2.72 2.02 0.54 -4.88 118.70 124.43 2qqq s GLU 97 Ca 0.64 -1.49 -0.06 0.00 0.02 0.00 0.00 54.97 54.09 2qqq s GLU 97 Cb -0.25 -3.27 -0.00 0.00 0.10 0.00 0.00 34.13 30.70 2qqq s GLU 97 CO 0.23 -0.77 0.69 0.41 0.02 0.00 0.00 175.26 175.84 2qqq n GLY 98 N 4.56 -1.20 4.88 -1.39 0.00 -1.26 -2.15 105.19 108.62 2qqq n GLY 98 Ca -0.08 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.74 0.00 -3.61 -0.61 -5.35 -1.26 -4.97 119.36 100.81 2qqq n ILE 99 Ca -0.14 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 61.97 2qqq n ILE 99 Cb 0.60 -0.06 -0.08 0.00 -1.74 0.00 0.00 39.64 38.36 2qqq n ILE 99 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2qqq s ILE 100 N -1.00 5.34 -0.12 7.28 -1.09 -0.91 -5.08 121.20 125.61 2qqq s ILE 100 Ca 0.00 0.35 -0.20 0.00 -2.23 0.00 0.00 60.65 58.57 2qqq s ILE 100 Cb 0.00 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 2qqq s ILE 100 CO 0.00 0.37 0.57 -0.51 -1.23 0.00 0.00 174.94 174.15 2qqq s ILE 101 N 0.72 5.11 -0.20 2.92 -1.16 -1.26 -0.34 121.20 126.99 2qqq s ILE 101 Ca 0.12 1.14 -0.06 0.00 -0.51 0.00 0.00 60.65 61.34 2qqq s ILE 101 Cb -0.13 -3.91 -0.03 0.00 0.61 0.00 0.00 42.46 39.01 2qqq s ILE 101 CO 0.03 0.26 0.02 -0.54 -2.81 0.00 0.00 174.94 171.90 2qqq s LYS 102 N 0.92 3.70 -0.25 3.50 -0.14 -0.42 -4.92 119.74 122.13 2qqq s LYS 102 Ca 0.30 -0.48 -0.15 0.00 -1.36 0.00 0.00 55.97 54.28 2qqq s LYS 102 Cb -0.16 -3.15 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 2qqq s LYS 102 CO 0.13 0.03 0.39 -0.06 -0.76 0.00 0.00 175.35 175.08 2qqq s PHE 103 N 0.97 3.29 -0.08 3.18 0.08 -1.26 -0.65 117.98 123.51 2qqq s PHE 103 Ca 0.02 0.49 0.21 0.00 0.12 0.00 0.00 56.93 57.77 2qqq s PHE 103 Cb -0.14 -2.56 -0.27 0.00 -0.57 0.00 0.00 43.02 39.47 2qqq s PHE 103 CO 0.02 -0.16 0.52 0.25 -0.10 0.00 0.00 175.22 175.75 2qqq n THR 104 N 4.86 0.31 -3.69 0.64 -2.24 0.12 -4.95 114.28 109.34 2qqq n THR 104 Ca -0.08 -0.56 -0.08 0.00 -2.27 0.00 0.00 64.05 61.05 2qqq n THR 104 Cb 0.51 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 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 -4.81 -0.36 0.22 3.42 1.04 -1.21 -4.99 113.70 107.00 2qqq s SER 105 Ca -0.07 -0.36 -0.20 0.00 0.48 0.00 0.00 55.95 55.80 2qqq s SER 105 Cb 0.12 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.93 2qqq s SER 105 CO 0.88 -1.15 0.62 -0.83 0.98 0.00 0.00 173.24 173.74 2qqq s GLY 106 N -2.84 -0.24 -0.02 7.32 0.00 -1.26 -0.74 107.32 109.53 2qqq s GLY 106 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.77 2qqq s GLY 106 CO -0.01 -0.08 -0.08 -1.59 0.00 0.00 0.00 173.10 171.34 2qqq s THR 107 N -3.85 0.70 -0.27 0.90 2.01 -0.13 -0.59 115.64 114.40 2qqq s THR 107 Ca 0.08 -0.33 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 2qqq s THR 107 Cb -0.03 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 2qqq s THR 107 CO -0.02 0.22 0.14 -0.60 -0.69 0.00 0.00 174.62 173.66 2qqq s ARG 108 N 0.09 3.72 -0.23 4.92 3.52 -0.48 -0.71 118.95 129.77 2qqq s ARG 108 Ca -0.01 -0.46 -0.08 0.00 -0.13 0.00 0.00 55.73 55.05 2qqq s ARG 108 Cb -0.07 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 2qqq s ARG 108 CO 0.00 -0.23 0.10 -0.51 -0.81 0.00 0.00 175.30 173.85 2qqq s LEU 109 N 1.68 3.71 -0.09 -0.88 1.43 0.13 -0.83 118.68 123.83 2qqq s LEU 109 Ca 0.06 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 2qqq s LEU 109 Cb -0.16 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2qqq s LEU 109 CO 0.07 0.04 -0.21 0.00 0.23 0.00 0.00 176.35 176.48 2qqq s GLN 110 N 1.20 2.66 0.00 1.70 -2.07 0.32 -1.16 119.66 122.31 2qqq s GLN 110 Ca 0.05 -0.75 0.27 0.00 -1.82 0.00 0.00 55.36 53.11 2qqq s GLN 110 Cb -0.14 -2.05 0.79 0.00 -1.09 0.00 0.00 33.01 30.52 2qqq s GLN 110 CO 0.04 0.14 1.60 1.19 -1.32 0.00 0.00 175.29 176.95