#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgr n THR 6 N 0.00 0.00 0.00 3.45 -2.24 -1.26 -4.79 114.28 109.44 2hgr n THR 6 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hgr n THR 6 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2hgr n THR 6 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2hgr n ILE 7 N -1.59 0.00 0.00 2.28 -0.00 -1.26 -0.87 119.36 117.91 2hgr n ILE 7 Ca 0.00 1.01 0.00 0.00 -0.00 0.00 0.00 62.75 63.76 2hgr n ILE 7 Cb 0.00 -1.75 0.00 0.00 -0.00 0.00 0.00 39.64 37.89 2hgr n ILE 7 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2hgr n ASN 8 N -0.82 0.00 -0.09 7.28 3.02 -1.26 -0.56 115.26 122.83 2hgr n ASN 8 Ca 0.00 0.19 -0.03 0.00 -0.03 0.00 0.00 54.58 54.71 2hgr n ASN 8 Cb 0.00 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 2hgr n ASN 8 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2hgr h GLN 9 N 0.00 -0.03 -0.82 3.52 4.20 -1.89 0.21 115.11 120.30 2hgr h GLN 9 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 2hgr h GLN 9 Cb 0.00 0.01 -0.15 0.00 0.30 0.00 0.00 27.48 27.63 2hgr h GLN 9 CO 0.00 -0.02 -0.22 1.28 -0.67 0.00 0.00 178.83 179.20 2hgr n LEU 10 N -3.53 -0.32 0.27 1.46 4.77 0.28 0.27 117.00 120.19 2hgr n LEU 10 Ca 0.00 1.41 0.09 0.00 -0.03 0.00 0.00 56.01 57.48 2hgr n LEU 10 Cb 0.07 -0.41 0.68 0.00 -2.33 0.00 0.00 43.42 41.43 2hgr n LEU 10 CO -0.03 -1.34 1.07 0.58 -1.33 0.00 0.00 177.39 176.34 2hgr h VAL 11 N 0.00 0.92 0.00 4.08 2.07 0.11 -0.11 116.25 123.32 2hgr h VAL 11 Ca 0.38 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.71 2hgr h VAL 11 Cb 0.59 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2hgr h VAL 11 CO -0.84 0.01 -1.27 -0.09 0.02 0.00 0.00 177.57 175.40 2hgr h ARG 12 N 0.00 0.00 0.00 1.57 2.43 0.60 -3.42 114.38 115.56 2hgr h ARG 12 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hgr h ARG 12 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2hgr h ARG 12 CO 0.00 0.35 -0.29 -0.22 -1.51 0.00 0.00 179.97 178.30 2hgr h LYS 13 N 0.00 0.00 0.00 0.20 1.63 0.03 -3.51 116.57 114.92 2hgr h LYS 13 Ca -0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2hgr h LYS 13 Cb 1.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 2hgr h LYS 13 CO 0.05 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.46 2hgr n GLY 14 N 1.69 -2.38 0.00 5.01 0.00 -0.12 -4.84 105.19 104.55 2hgr n GLY 14 Ca -0.04 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2hgr n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgr n ARG 15 N -0.45 0.34 0.00 1.61 1.74 -1.26 -5.01 116.66 113.63 2hgr n ARG 15 Ca 0.00 -0.50 0.00 0.00 -0.77 0.00 0.00 57.85 56.58 2hgr n ARG 15 Cb 0.00 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2hgr n ARG 15 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2hgr n GLU 16 N -0.08 0.00 -1.45 5.56 2.13 -1.26 -4.83 120.64 120.71 2hgr n GLU 16 Ca 0.00 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.97 2hgr n GLU 16 Cb 0.32 -2.38 -0.08 0.00 0.27 0.00 0.00 31.44 29.56 2hgr n GLU 16 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2hgr n LYS 17 N -0.45 -3.42 0.00 5.31 4.81 -1.26 -4.85 118.16 118.30 2hgr n LYS 17 Ca 0.00 2.78 0.00 0.00 -0.87 0.00 0.00 58.31 60.22 2hgr n LYS 17 Cb 0.00 -3.89 0.00 0.00 0.02 0.00 0.00 35.03 31.16 2hgr n LYS 17 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2hgr n VAL 18 N -4.12 0.00 0.00 3.15 0.24 -1.26 -5.02 118.33 111.32 2hgr n VAL 18 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2hgr n VAL 18 Cb 0.66 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 2hgr n VAL 18 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2hgr n ARG 19 N 0.00 0.00 0.00 7.34 1.74 -1.26 -5.11 116.66 119.37 2hgr n ARG 19 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2hgr n ARG 19 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2hgr n ARG 19 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hgr n LYS 20 N 0.00 0.00 -3.74 5.56 5.02 -1.26 -4.85 118.16 118.89 2hgr n LYS 20 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2hgr n LYS 20 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 2hgr n LYS 20 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hgr s LYS 21 N 0.00 2.41 0.00 1.97 1.02 -1.26 -5.04 119.74 118.84 2hgr s LYS 21 Ca 0.00 -2.35 0.00 0.00 0.02 0.00 0.00 55.97 53.64 2hgr s LYS 21 Cb 0.00 -3.69 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 2hgr s LYS 21 CO 0.00 -1.15 0.00 0.45 -0.92 0.00 0.00 175.35 173.73 2hgr n SER 22 N 3.76 0.00 -1.49 2.83 2.88 -1.26 -4.76 113.62 115.58 2hgr n SER 22 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2hgr n SER 22 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2hgr n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2hgr n LYS 23 N 0.00 0.93 0.00 -1.46 4.01 -1.26 -4.46 118.16 115.93 2hgr n LYS 23 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2hgr n LYS 23 Cb 0.00 -1.03 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 2hgr n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2hgr n VAL 24 N 1.45 0.00 -2.97 -0.18 0.31 -1.26 -4.96 118.33 110.72 2hgr n VAL 24 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 2hgr n VAL 24 Cb 0.47 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.40 2hgr n VAL 24 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2hgr n PRO 25 N 0.00 3.96 0.00 5.55 -0.04 -1.26 -4.76 135.00 138.45 2hgr n PRO 25 Ca 0.00 -4.28 0.00 0.00 -0.04 0.00 0.00 63.50 59.18 2hgr n PRO 25 Cb 0.00 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 2hgr n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hgr n ALA 26 N 2.59 1.31 -0.16 0.55 0.00 -1.26 -4.72 120.51 118.82 2hgr n ALA 26 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2hgr n ALA 26 Cb 0.36 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2hgr n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2hgr n LEU 27 N 1.26 0.00 -0.27 0.00 7.94 -1.26 -1.82 117.00 122.85 2hgr n LEU 27 Ca 0.00 0.00 0.27 0.00 -1.11 0.00 0.00 56.01 55.17 2hgr n LEU 27 Cb 0.00 0.00 0.63 0.00 0.53 0.00 0.00 43.42 44.58 2hgr n LEU 27 CO 0.00 0.00 1.26 0.11 -1.11 0.00 0.00 177.39 177.65 2hgr h LYS 28 N 0.00 0.19 0.00 1.96 1.57 -1.94 -3.42 116.57 114.92 2hgr h LYS 28 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2hgr h LYS 28 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2hgr h LYS 28 CO 0.00 0.12 0.00 0.41 -0.57 0.00 0.00 179.45 179.41 2hgr n GLY 29 N -1.62 3.04 0.19 3.86 0.00 -0.76 -5.03 105.19 104.87 2hgr n GLY 29 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2hgr n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgr n ALA 30 N -1.75 0.00 -0.99 4.61 0.00 -1.26 -4.78 120.51 116.35 2hgr n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgr n ALA 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgr n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2hgr n PRO 31 N 0.21 0.00 -4.33 0.00 -0.02 -1.26 -4.87 135.00 124.73 2hgr n PRO 31 Ca 0.00 0.40 -0.18 0.00 -2.02 0.00 0.00 63.50 61.70 2hgr n PRO 31 Cb 0.00 -1.01 -0.09 0.00 -0.02 0.00 0.00 33.50 32.38 2hgr n PRO 31 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2hgr s PHE 32 N -1.03 1.58 0.11 6.00 0.08 -1.26 -4.93 117.98 118.53 2hgr s PHE 32 Ca 0.00 -1.35 0.08 0.00 0.12 0.00 0.00 56.93 55.78 2hgr s PHE 32 Cb 0.00 -0.85 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 2hgr s PHE 32 CO 0.00 -0.51 -0.21 0.50 -0.10 0.00 0.00 175.22 174.90 2hgr s ARG 33 N -3.85 1.15 0.15 0.44 6.06 -0.32 -4.95 118.95 117.62 2hgr s ARG 33 Ca 0.36 -1.19 0.05 0.00 -2.50 0.00 0.00 55.73 52.45 2hgr s ARG 33 Cb 0.05 -1.42 -0.04 0.00 0.06 0.00 0.00 34.95 33.60 2hgr s ARG 33 CO 0.17 0.33 0.08 0.50 -2.50 0.00 0.00 175.30 173.88 2hgr s ARG 34 N -1.97 2.73 0.00 5.12 3.52 -1.26 -0.72 118.95 126.36 2hgr s ARG 34 Ca 0.08 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 2hgr s ARG 34 Cb -0.10 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 2hgr s ARG 34 CO 0.05 0.49 0.00 0.41 -0.81 0.00 0.00 175.30 175.44 2hgr n GLY 35 N -0.10 1.04 2.94 8.12 0.00 -0.29 -0.99 105.19 115.91 2hgr n GLY 35 Ca -0.09 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 2hgr n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgr s VAL 36 N -2.22 0.36 -0.05 1.61 0.11 -0.01 -0.80 120.40 119.40 2hgr s VAL 36 Ca 0.00 -0.19 -0.16 0.00 -2.93 0.00 0.00 61.98 58.70 2hgr s VAL 36 Cb 0.00 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 2hgr s VAL 36 CO 0.00 0.11 0.43 0.00 -3.33 0.00 0.00 175.10 172.31 2hgr n THR 38 N 2.60 1.23 -3.11 0.00 5.66 -0.16 -3.50 114.28 117.00 2hgr n THR 38 Ca -0.11 0.22 -0.40 0.00 -3.05 0.00 0.00 64.05 60.71 2hgr n THR 38 Cb 0.52 -2.21 -0.05 0.00 -1.55 0.00 0.00 70.33 67.03 2hgr n THR 38 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2hgr s VAL 39 N -2.44 5.05 -0.37 1.08 1.01 -1.21 -4.40 120.40 119.11 2hgr s VAL 39 Ca -0.21 1.27 0.12 0.00 0.00 0.00 0.00 61.98 63.16 2hgr s VAL 39 Cb 0.03 -3.97 0.44 0.00 0.00 0.00 0.00 36.38 32.88 2hgr s VAL 39 CO 0.31 0.20 1.02 0.52 0.00 0.00 0.00 175.10 177.15 2hgr n VAL 40 N 4.17 1.62 0.00 2.92 0.31 -1.26 -1.13 118.33 124.96 2hgr n VAL 40 Ca -0.02 -3.91 0.00 0.00 -0.01 0.00 0.00 64.34 60.40 2hgr n VAL 40 Cb 0.51 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 2hgr n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2hgr n ARG 41 N -0.25 0.00 0.00 5.55 0.63 -1.25 -4.97 116.66 116.36 2hgr n ARG 41 Ca 0.23 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 2hgr n ARG 41 Cb 0.75 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.66 2hgr n ARG 41 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2hgr n THR 42 N 0.00 0.00 -4.09 5.15 5.66 -1.26 -4.62 114.28 115.11 2hgr n THR 42 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2hgr n THR 42 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 2hgr n THR 42 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2hgr s VAL 43 N -0.83 0.05 0.35 1.08 1.01 -0.35 -4.89 120.40 116.82 2hgr s VAL 43 Ca 0.00 -1.73 0.07 0.00 0.00 0.00 0.00 61.98 60.33 2hgr s VAL 43 Cb 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2hgr s VAL 43 CO 0.00 -0.21 0.32 0.42 0.00 0.00 0.00 175.10 175.63 2hgr s THR 44 N -4.06 3.35 -0.20 3.92 -4.23 -1.26 -0.97 115.64 112.19 2hgr s THR 44 Ca 0.27 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 59.13 2hgr s THR 44 Cb 0.05 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 2hgr s THR 44 CO 0.06 -0.14 1.21 -2.16 -0.54 0.00 0.00 174.62 173.05 2hgr s PRO 45 N -4.03 4.20 0.00 3.99 0.04 -1.26 -4.85 135.00 133.10 2hgr s PRO 45 Ca 0.43 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2hgr s PRO 45 Cb -0.05 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.74 2hgr s PRO 45 CO 0.27 -0.73 0.00 1.17 0.04 0.00 0.00 177.00 177.75 2hgr n LYS 46 N 6.62 0.00 0.00 4.56 4.81 -0.60 -4.47 118.16 129.08 2hgr n LYS 46 Ca 0.13 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.67 2hgr n LYS 46 Cb 0.45 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.53 2hgr n LYS 46 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2hgr n LYS 47 N 0.00 1.58 0.00 1.64 2.85 -1.26 -4.91 118.16 118.06 2hgr n LYS 47 Ca 0.00 -1.14 0.00 0.00 -1.05 0.00 0.00 58.31 56.12 2hgr n LYS 47 Cb 0.00 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 2hgr n LYS 47 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2hgr n PRO 48 N 0.30 0.00 -0.60 -1.58 -0.04 -1.26 -5.07 135.00 126.75 2hgr n PRO 48 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2hgr n PRO 48 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2hgr n PRO 48 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2hgr n ASN 49 N 0.00 0.00 -3.83 3.54 4.13 -1.26 -5.13 115.26 112.71 2hgr n ASN 49 Ca 0.00 -0.64 -0.14 0.00 1.68 0.00 0.00 54.58 55.47 2hgr n ASN 49 Cb 0.00 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.09 2hgr n ASN 49 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2hgr s SER 50 N -1.00 0.15 0.00 6.41 0.15 -1.26 -4.47 113.70 113.67 2hgr s SER 50 Ca 0.00 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2hgr s SER 50 Cb 0.00 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2hgr s SER 50 CO 0.00 -0.06 0.00 0.00 1.20 0.00 0.00 173.24 174.38 2hgr n ALA 51 N 3.67 0.00 -3.45 5.45 0.00 -1.26 -5.03 120.51 119.89 2hgr n ALA 51 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 2hgr n ALA 51 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 2hgr n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hgr s LEU 52 N 0.00 4.95 0.18 0.00 1.43 -1.26 -4.18 118.68 119.80 2hgr s LEU 52 Ca 0.00 -1.58 -0.10 0.00 -1.03 0.00 0.00 54.13 51.42 2hgr s LEU 52 Cb 0.00 -1.90 -0.07 0.00 0.03 0.00 0.00 46.19 44.25 2hgr s LEU 52 CO 0.00 -0.49 0.50 -0.13 0.23 0.00 0.00 176.35 176.46 2hgr s ARG 53 N 1.33 3.80 -0.44 1.70 0.52 -0.15 -4.87 118.95 120.85 2hgr s ARG 53 Ca 0.03 0.24 -0.24 0.00 -0.52 0.00 0.00 55.73 55.24 2hgr s ARG 53 Cb -0.22 -2.77 0.02 0.00 0.52 0.00 0.00 34.95 32.50 2hgr s ARG 53 CO 0.00 0.40 0.83 0.15 0.02 0.00 0.00 175.30 176.70 2hgr s LYS 54 N -2.52 3.52 -0.02 3.54 3.01 -1.26 -1.21 119.74 124.80 2hgr s LYS 54 Ca 0.43 0.06 -0.24 0.00 -1.01 0.00 0.00 55.97 55.21 2hgr s LYS 54 Cb -0.12 -3.91 -0.05 0.00 -1.01 0.00 0.00 37.83 32.74 2hgr s LYS 54 CO 0.21 -1.10 0.72 0.08 0.51 0.00 0.00 175.35 175.77 2hgr s VAL 55 N 3.39 4.91 -0.21 3.17 1.01 -1.26 -1.32 120.40 130.10 2hgr s VAL 55 Ca 0.32 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.78 2hgr s VAL 55 Cb -0.12 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2hgr s VAL 55 CO 0.23 0.31 -0.10 0.00 0.00 0.00 0.00 175.10 175.54 2hgr s ALA 56 N 0.36 2.64 -0.11 5.51 0.00 -0.13 -3.86 121.76 126.16 2hgr s ALA 56 Ca 0.37 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2hgr s ALA 56 Cb -0.19 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 2hgr s ALA 56 CO 0.20 -0.47 -0.16 0.15 0.00 0.00 0.00 175.76 175.48 2hgr s LYS 57 N 1.39 3.22 0.01 0.00 1.02 -0.28 -0.62 119.74 124.48 2hgr s LYS 57 Ca 0.05 -0.74 -0.10 0.00 0.02 0.00 0.00 55.97 55.20 2hgr s LYS 57 Cb -0.14 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 2hgr s LYS 57 CO -0.07 0.24 0.20 0.08 -0.92 0.00 0.00 175.35 174.88 2hgr s VAL 58 N 0.26 0.09 -0.10 3.17 1.01 -0.22 -0.99 120.40 123.62 2hgr s VAL 58 Ca -0.11 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2hgr s VAL 58 Cb -0.16 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2hgr s VAL 58 CO 0.06 -0.40 -0.05 -0.60 0.00 0.00 0.00 175.10 174.11 2hgr s ARG 59 N -1.84 3.08 0.00 2.72 3.52 -0.31 -0.98 118.95 125.14 2hgr s ARG 59 Ca -0.11 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 2hgr s ARG 59 Cb -0.05 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.62 2hgr s ARG 59 CO 0.00 0.54 0.00 1.47 -0.81 0.00 0.00 175.30 176.50 2hgr n LEU 60 N 2.62 0.00 -4.55 -0.88 -0.00 0.55 -0.83 117.00 113.91 2hgr n LEU 60 Ca -0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.53 2hgr n LEU 60 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.89 2hgr n LEU 60 CO 0.29 0.00 1.85 0.35 -0.00 0.00 0.00 177.39 179.88 2hgr n THR 61 N 0.00 -0.06 0.00 1.47 -2.24 -0.16 -2.80 114.28 110.49 2hgr n THR 61 Ca 0.00 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2hgr n THR 61 Cb 0.00 -2.34 0.00 0.00 -2.10 0.00 0.00 70.33 65.89 2hgr n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2hgr n SER 62 N 15.92 0.00 -3.60 3.42 3.41 -1.26 -4.73 113.62 126.78 2hgr n SER 62 Ca 0.43 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.82 2hgr n SER 62 Cb 0.47 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.48 2hgr n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hgr n GLY 63 N 0.00 -0.43 3.63 5.00 0.00 -1.12 -4.97 105.19 107.30 2hgr n GLY 63 Ca 0.00 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2hgr n GLY 63 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2hgr s TYR 64 N -3.39 3.12 -0.11 1.61 5.04 -1.23 -4.97 117.35 117.42 2hgr s TYR 64 Ca 0.30 0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.95 2hgr s TYR 64 Cb -0.14 -1.85 0.06 0.00 0.35 0.00 0.00 41.96 40.38 2hgr s TYR 64 CO 0.76 0.31 0.22 -1.21 -1.34 0.00 0.00 175.55 174.29 2hgr s GLU 65 N -0.48 0.10 0.08 4.97 8.01 -1.25 -0.33 118.70 129.81 2hgr s GLU 65 Ca 0.08 0.66 -0.01 0.00 0.01 0.00 0.00 54.97 55.71 2hgr s GLU 65 Cb -0.12 -0.14 0.00 0.00 -4.31 0.00 0.00 34.13 29.57 2hgr s GLU 65 CO 0.02 -0.29 0.12 0.28 0.01 0.00 0.00 175.26 175.40 2hgr n VAL 66 N 5.27 0.00 -4.66 2.63 0.31 -0.15 -4.93 118.33 116.79 2hgr n VAL 66 Ca -0.07 -0.34 -0.34 0.00 -0.01 0.00 0.00 64.34 63.58 2hgr n VAL 66 Cb 0.50 0.23 -0.12 0.00 -0.91 0.00 0.00 33.84 33.54 2hgr n VAL 66 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2hgr s THR 67 N -2.57 3.54 -0.00 2.52 -4.23 -1.26 -1.05 115.64 112.58 2hgr s THR 67 Ca 0.06 -0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2hgr s THR 67 Cb -0.00 -2.45 -0.00 0.00 1.34 0.00 0.00 72.50 71.38 2hgr s THR 67 CO 0.04 0.58 0.01 0.00 -0.54 0.00 0.00 174.62 174.70 2hgr s ALA 68 N -0.51 -0.01 0.35 3.99 0.00 0.21 -3.08 121.76 122.70 2hgr s ALA 68 Ca 0.07 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 2hgr s ALA 68 Cb -0.12 -0.00 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 2hgr s ALA 68 CO 0.02 -0.02 1.15 -0.47 0.00 0.00 0.00 175.76 176.44 2hgr s TYR 69 N -0.14 3.27 -0.50 0.00 5.04 -0.22 -0.95 117.35 123.84 2hgr s TYR 69 Ca -0.02 1.60 -0.14 0.00 -2.44 0.00 0.00 57.07 56.07 2hgr s TYR 69 Cb -0.01 -3.36 0.11 0.00 0.35 0.00 0.00 41.96 39.05 2hgr s TYR 69 CO -0.00 -1.04 0.43 0.42 -1.34 0.00 0.00 175.55 174.02 2hgr s ILE 70 N -1.32 5.00 0.41 3.14 1.01 -0.43 -1.32 121.20 127.69 2hgr s ILE 70 Ca 0.52 -1.41 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 2hgr s ILE 70 Cb -0.31 -4.14 -0.08 0.00 0.01 0.00 0.00 42.46 37.93 2hgr s ILE 70 CO 0.40 -0.75 0.82 -2.16 0.00 0.00 0.00 174.94 173.26 2hgr s PRO 71 N 1.57 3.92 0.00 2.79 0.04 -1.26 -4.56 135.00 137.49 2hgr s PRO 71 Ca 0.04 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2hgr s PRO 71 Cb -0.27 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.94 2hgr s PRO 71 CO 0.03 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.46 2hgr n GLY 72 N -1.02 0.02 0.00 0.56 0.00 -1.26 -4.86 105.19 98.63 2hgr n GLY 72 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2hgr n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgr n GLU 73 N 2.31 0.00 -2.79 1.61 4.71 -1.26 -4.59 120.64 120.63 2hgr n GLU 73 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 56.98 2hgr n GLU 73 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.46 2hgr n GLU 73 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2hgr n GLY 74 N -0.12 2.29 0.00 0.62 0.00 -1.26 -5.10 105.19 101.61 2hgr n GLY 74 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2hgr n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2hgr n HIS 75 N -1.77 0.00 0.00 1.61 1.44 -1.26 -4.79 115.22 110.45 2hgr n HIS 75 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 2hgr n HIS 75 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 2hgr n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2hgr n ASN 76 N 0.00 0.17 -0.96 4.39 6.94 -1.26 -5.05 115.26 119.49 2hgr n ASN 76 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2hgr n ASN 76 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2hgr n ASN 76 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2hgr n LEU 77 N 0.00 -1.28 -4.88 -4.53 4.77 -1.26 -5.13 117.00 104.69 2hgr n LEU 77 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 2hgr n LEU 77 Cb 0.00 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.43 2hgr n LEU 77 CO 0.00 0.00 0.02 -1.10 -1.33 0.00 0.00 177.39 174.98 2hgr s GLN 78 N -0.40 2.33 0.32 3.23 1.11 -1.26 -4.83 119.66 120.16 2hgr s GLN 78 Ca 0.00 -1.85 0.23 0.00 0.01 0.00 0.00 55.36 53.75 2hgr s GLN 78 Cb 0.00 -2.18 1.11 0.00 -1.01 0.00 0.00 33.01 30.93 2hgr s GLN 78 CO 0.00 -0.44 1.18 0.39 0.01 0.00 0.00 175.29 176.44 2hgr n GLU 79 N -1.65 -0.03 -0.12 2.91 1.02 -1.24 0.47 120.64 122.01 2hgr n GLU 79 Ca 0.00 0.97 0.05 0.00 -0.02 0.00 0.00 57.16 58.16 2hgr n GLU 79 Cb 0.64 -1.87 0.12 0.00 -0.02 0.00 0.00 31.44 30.30 2hgr n GLU 79 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2hgr n HIS 80 N -4.30 0.32 -1.76 -0.32 8.25 -1.23 -3.90 115.22 112.29 2hgr n HIS 80 Ca 0.30 -0.37 -0.42 0.00 -0.26 0.00 0.00 57.72 56.97 2hgr n HIS 80 Cb 1.15 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 32.21 2hgr n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2hgr s SER 81 N -0.97 6.48 0.25 0.41 0.01 0.18 -4.73 113.70 115.32 2hgr s SER 81 Ca 0.19 2.64 -0.01 0.00 1.31 0.00 0.00 55.95 60.09 2hgr s SER 81 Cb 0.11 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2hgr s SER 81 CO 0.14 -1.00 0.45 -0.69 0.41 0.00 0.00 173.24 172.56 2hgr s VAL 82 N 3.40 5.15 0.00 3.43 1.01 -1.26 -1.17 120.40 130.96 2hgr s VAL 82 Ca 0.82 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2hgr s VAL 82 Cb -0.43 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2hgr s VAL 82 CO 0.37 -0.28 0.00 0.55 0.00 0.00 0.00 175.10 175.73 2hgr n VAL 83 N -0.97 0.00 -3.93 2.92 3.14 0.02 -3.37 118.33 116.14 2hgr n VAL 83 Ca -0.04 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.25 2hgr n VAL 83 Cb 0.54 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.24 2hgr n VAL 83 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2hgr s LEU 84 N 0.00 1.74 -0.21 6.55 0.20 -1.26 -1.14 118.68 124.56 2hgr s LEU 84 Ca 0.00 -0.72 -0.07 0.00 0.69 0.00 0.00 54.13 54.03 2hgr s LEU 84 Cb 0.00 0.77 -0.04 0.00 -0.43 0.00 0.00 46.19 46.49 2hgr s LEU 84 CO 0.00 -0.66 0.06 -0.51 -0.29 0.00 0.00 176.35 174.95 2hgr s ILE 85 N -3.69 4.55 -1.87 6.68 1.10 0.10 -0.67 121.20 127.39 2hgr s ILE 85 Ca 0.04 -0.11 0.19 0.00 -0.51 0.00 0.00 60.65 60.26 2hgr s ILE 85 Cb 0.05 -3.08 0.40 0.00 0.15 0.00 0.00 42.46 39.97 2hgr s ILE 85 CO -0.10 0.40 1.32 -2.11 -2.11 0.00 0.00 174.94 172.34 2hgr n ARG 86 N 4.20 2.39 -1.68 3.50 1.85 0.39 -1.18 116.66 126.14 2hgr n ARG 86 Ca -0.16 -2.17 0.00 0.00 -1.00 0.00 0.00 57.85 54.52 2hgr n ARG 86 Cb 0.52 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 2hgr n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2hgr n GLY 87 N 1.19 -1.94 3.15 2.89 0.00 -1.07 -4.75 105.19 104.66 2hgr n GLY 87 Ca 0.17 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.10 2hgr n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hgr s GLY 88 N -1.25 -0.61 0.61 -0.02 0.00 -1.24 -4.36 107.32 100.45 2hgr s GLY 88 Ca 0.00 2.40 -0.19 0.00 0.00 0.00 0.00 44.72 46.93 2hgr s GLY 88 CO 0.00 3.82 1.12 0.54 0.00 0.00 0.00 173.10 178.58 2hgr n ARG 89 N 5.38 1.06 -2.77 2.90 1.74 -1.21 -3.42 116.66 120.34 2hgr n ARG 89 Ca -0.02 0.41 -0.03 0.00 -0.77 0.00 0.00 57.85 57.44 2hgr n ARG 89 Cb 0.54 -2.34 0.04 0.00 -1.02 0.00 0.00 32.46 29.69 2hgr n ARG 89 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2hgr n VAL 90 N -1.71 1.15 -0.21 1.55 0.31 -1.05 -4.91 118.33 113.45 2hgr n VAL 90 Ca 0.14 -2.93 -0.08 0.00 -0.01 0.00 0.00 64.34 61.46 2hgr n VAL 90 Cb 0.47 1.08 -0.01 0.00 -0.91 0.00 0.00 33.84 34.47 2hgr n VAL 90 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2hgr n LYS 91 N -0.43 0.00 0.00 5.55 4.81 -1.26 -3.20 118.16 123.63 2hgr n LYS 91 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2hgr n LYS 91 Cb 0.81 -0.20 0.00 0.00 0.02 0.00 0.00 35.03 35.66 2hgr n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2hgr n ASP 92 N 0.24 0.00 -3.35 3.14 2.03 -1.26 -4.96 116.55 112.40 2hgr n ASP 92 Ca 0.03 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.10 2hgr n ASP 92 Cb 0.02 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.33 2hgr n ASP 92 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2hgr s LEU 93 N 0.00 0.71 0.26 -2.67 2.34 -1.19 -1.55 118.68 116.57 2hgr s LEU 93 Ca 0.00 -2.39 -0.31 0.00 0.06 0.00 0.00 54.13 51.50 2hgr s LEU 93 Cb 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 46.19 45.50 2hgr s LEU 93 CO 0.00 -0.22 1.45 -2.65 -1.06 0.00 0.00 176.35 173.87 2hgr n PRO 94 N 3.48 2.20 0.00 1.48 -0.02 -1.26 -2.73 135.00 138.15 2hgr n PRO 94 Ca 0.20 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2hgr n PRO 94 Cb 0.45 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2hgr n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgr n GLY 95 N 2.11 2.17 2.50 -1.23 0.00 -1.26 -4.94 105.19 104.54 2hgr n GLY 95 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2hgr n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgr n VAL 96 N -0.25 1.48 0.35 1.61 0.31 -1.10 -4.34 118.33 116.38 2hgr n VAL 96 Ca 0.00 -0.82 0.04 0.00 -0.01 0.00 0.00 64.34 63.55 2hgr n VAL 96 Cb 0.00 -1.83 0.19 0.00 -0.91 0.00 0.00 33.84 31.30 2hgr n VAL 96 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2hgr n ARG 97 N 3.58 0.10 -3.90 5.55 0.63 -1.18 -2.52 116.66 118.92 2hgr n ARG 97 Ca 0.25 0.23 -0.08 0.00 -0.92 0.00 0.00 57.85 57.33 2hgr n ARG 97 Cb 0.24 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.62 2hgr n ARG 97 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2hgr s TYR 98 N -2.63 0.01 0.06 -0.14 1.51 -1.22 -3.28 117.35 111.66 2hgr s TYR 98 Ca 0.07 -0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 55.57 2hgr s TYR 98 Cb 0.05 0.55 0.01 0.00 -0.11 0.00 0.00 41.96 42.46 2hgr s TYR 98 CO 0.12 -1.18 0.24 -3.38 -1.11 0.00 0.00 175.55 170.24 2hgr s HIS 99 N -3.85 0.01 0.74 2.71 -3.43 -1.25 -1.06 115.29 109.16 2hgr s HIS 99 Ca 0.15 -0.28 -0.12 0.00 -0.80 0.00 0.00 55.06 54.01 2hgr s HIS 99 Cb -0.04 0.02 0.19 0.00 -1.43 0.00 0.00 32.58 31.32 2hgr s HIS 99 CO 0.08 -0.51 0.58 0.44 -2.00 0.00 0.00 174.74 173.34 2hgr n ILE 100 N 0.36 0.00 -3.69 -5.38 -0.00 -0.43 -0.46 119.36 109.76 2hgr n ILE 100 Ca -0.17 -0.19 -0.18 0.00 -0.00 0.00 0.00 62.75 62.21 2hgr n ILE 100 Cb 0.60 -0.96 -0.17 0.00 -0.00 0.00 0.00 39.64 39.12 2hgr n ILE 100 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 2hgr s VAL 101 N -1.98 -0.15 0.00 7.28 -7.23 0.15 -4.29 120.40 114.19 2hgr s VAL 101 Ca 0.40 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 2hgr s VAL 101 Cb -0.05 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.70 2hgr s VAL 101 CO 0.31 0.15 0.00 0.54 -0.31 0.00 0.00 175.10 175.79 2hgr n ARG 102 N 5.05 -0.62 -0.33 4.82 5.12 -1.26 -3.45 116.66 125.98 2hgr n ARG 102 Ca -0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 2hgr n ARG 102 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 2hgr n ARG 102 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgr n GLY 103 N 0.00 -0.02 3.57 -0.13 0.00 0.34 -4.78 105.19 104.17 2hgr n GLY 103 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2hgr n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgr s VAL 104 N -0.23 5.12 0.00 1.61 1.01 -0.99 -4.83 120.40 122.08 2hgr s VAL 104 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2hgr s VAL 104 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2hgr s VAL 104 CO 0.00 -0.06 0.00 -1.22 0.00 0.00 0.00 175.10 173.82 2hgr n TYR 105 N 5.49 0.00 0.00 5.22 0.53 -1.26 -3.16 117.16 123.97 2hgr n TYR 105 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.81 2hgr n TYR 105 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.81 2hgr n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2hgr n ASP 106 N 1.17 0.00 -4.50 7.72 10.43 -1.22 -4.96 116.55 125.19 2hgr n ASP 106 Ca 0.00 0.01 -0.47 0.00 2.57 0.00 0.00 54.79 56.90 2hgr n ASP 106 Cb 0.00 -0.12 -0.06 0.00 1.84 0.00 0.00 41.12 42.78 2hgr n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2hgr n ALA 107 N -1.68 1.26 -1.00 2.24 0.00 -1.19 -4.86 120.51 115.27 2hgr n ALA 107 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2hgr n ALA 107 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 16.74 2hgr n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgr n ALA 108 N 10.95 0.00 -4.69 0.00 0.00 -1.26 0.13 120.51 125.64 2hgr n ALA 108 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 2hgr n ALA 108 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.70 2hgr n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgr n GLY 109 N 1.60 3.55 3.58 0.00 0.00 -1.26 0.54 105.19 113.20 2hgr n GLY 109 Ca 0.00 -2.36 -0.40 0.00 0.00 0.00 0.00 46.02 43.25 2hgr n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hgr s VAL 110 N -2.75 3.33 -0.14 1.61 -7.23 -1.25 -4.93 120.40 109.04 2hgr s VAL 110 Ca 0.01 0.28 -0.29 0.00 -1.81 0.00 0.00 61.98 60.17 2hgr s VAL 110 Cb -0.00 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.32 2hgr s VAL 110 CO 0.01 -0.50 1.05 -0.54 -0.31 0.00 0.00 175.10 174.81 2hgr s LYS 111 N 6.56 4.36 0.00 4.82 1.02 -1.26 -3.08 119.74 132.16 2hgr s LYS 111 Ca 0.79 1.42 0.00 0.00 0.02 0.00 0.00 55.97 58.21 2hgr s LYS 111 Cb -0.19 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 2hgr s LYS 111 CO 0.28 -0.45 0.00 -0.25 -0.92 0.00 0.00 175.35 174.01 2hgr n ASP 112 N 5.52 0.00 -4.27 2.83 10.43 -1.26 -5.02 116.55 124.77 2hgr n ASP 112 Ca 0.10 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.14 2hgr n ASP 112 Cb 0.47 0.00 0.17 0.00 1.84 0.00 0.00 41.12 43.60 2hgr n ASP 112 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2hgr n ARG 113 N -0.61 -1.57 0.00 -1.24 5.12 -1.18 -4.95 116.66 112.22 2hgr n ARG 113 Ca 0.00 -0.44 0.00 0.00 -1.93 0.00 0.00 57.85 55.48 2hgr n ARG 113 Cb 0.00 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 29.61 2hgr n ARG 113 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2hgr n LYS 114 N -1.98 1.23 -4.09 5.56 5.02 -1.26 -4.95 118.16 117.69 2hgr n LYS 114 Ca 0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 2hgr n LYS 114 Cb 0.63 -0.21 -0.07 0.00 -0.02 0.00 0.00 35.03 35.36 2hgr n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hgr s LYS 115 N -0.50 3.06 0.00 1.97 1.02 -1.26 -4.82 119.74 119.20 2hgr s LYS 115 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.48 2hgr s LYS 115 Cb 0.00 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2hgr s LYS 115 CO 0.00 0.64 0.00 0.43 -0.92 0.00 0.00 175.35 175.50 2hgr n SER 116 N 1.08 0.00 -0.66 2.83 7.64 -1.26 -4.86 113.62 118.39 2hgr n SER 116 Ca -0.12 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.83 2hgr n SER 116 Cb 0.53 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.92 2hgr n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2hgr n ARG 117 N 0.41 2.73 0.19 1.43 1.74 -1.26 -4.37 116.66 117.53 2hgr n ARG 117 Ca 0.00 -2.49 -0.14 0.00 -0.77 0.00 0.00 57.85 54.45 2hgr n ARG 117 Cb 0.00 -1.58 -0.08 0.00 -1.02 0.00 0.00 32.46 29.78 2hgr n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2hgr h SER 118 N 1.53 -0.38 -3.49 0.55 0.87 -1.89 -2.71 113.55 108.03 2hgr h SER 118 Ca 0.00 -0.09 -0.52 0.00 -1.23 0.00 0.00 61.79 59.95 2hgr h SER 118 Cb 1.12 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2hgr h SER 118 CO 0.12 -0.14 -0.05 -0.75 -0.53 0.00 0.00 176.83 175.48 2hgr s LYS 119 N -5.41 3.81 0.00 2.24 2.20 -1.26 -3.62 119.74 117.70 2hgr s LYS 119 Ca -0.15 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 2hgr s LYS 119 Cb 0.03 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 2hgr s LYS 119 CO 0.60 0.22 0.00 0.66 -0.36 0.00 0.00 175.35 176.47 2hgr n TYR 120 N -0.46 0.00 0.00 4.03 4.02 -1.26 -4.70 117.16 118.79 2hgr n TYR 120 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2hgr n TYR 120 Cb 0.53 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 2hgr n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hgr n GLY 121 N -1.08 0.00 3.60 2.72 0.00 -1.24 -4.23 105.19 104.97 2hgr n GLY 121 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2hgr n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hgr s THR 122 N 0.00 0.00 0.50 2.61 2.01 -1.02 -3.82 115.64 115.92 2hgr s THR 122 Ca 0.00 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 2hgr s THR 122 Cb 0.00 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.63 2hgr s THR 122 CO 0.00 0.00 0.63 0.29 -0.69 0.00 0.00 174.62 174.85 2hgr n LYS 123 N 1.04 -0.86 -4.07 4.92 4.76 -1.26 -4.58 118.16 118.11 2hgr n LYS 123 Ca -0.09 -0.98 -0.29 0.00 -2.87 0.00 0.00 58.31 54.07 2hgr n LYS 123 Cb 0.58 -0.69 -0.06 0.00 -1.84 0.00 0.00 35.03 33.01 2hgr n LYS 123 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2hgr s LYS 124 N -4.39 2.84 -0.24 1.97 1.02 -1.26 -4.96 119.74 114.71 2hgr s LYS 124 Ca 0.37 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 55.30 2hgr s LYS 124 Cb -0.01 -2.68 -0.00 0.00 -0.52 0.00 0.00 37.83 34.62 2hgr s LYS 124 CO 0.26 0.54 1.25 -1.25 -0.92 0.00 0.00 175.35 175.23 2hgr s PRO 125 N -2.58 4.08 0.00 -1.68 0.04 -1.26 -4.92 135.00 128.68 2hgr s PRO 125 Ca 0.29 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2hgr s PRO 125 Cb -0.11 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2hgr s PRO 125 CO 0.22 -0.91 0.72 0.36 0.04 0.00 0.00 177.00 177.43 2hgr n LYS 126 N 6.93 0.74 -0.41 4.56 -0.00 -1.26 -4.86 118.16 123.86 2hgr n LYS 126 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2hgr n LYS 126 Cb 0.46 -1.15 0.00 0.00 -0.00 0.00 0.00 35.03 34.34 2hgr n LYS 126 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2hgr n GLU 127 N 0.60 0.00 0.00 -1.58 -0.00 -1.26 -5.38 120.64 113.02 2hgr n GLU 127 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2hgr n GLU 127 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.80 2hgr n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13