#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnr s SER 2 N 0.00 6.51 0.20 6.12 1.04 -1.26 -4.94 113.70 121.36 2nnr s SER 2 Ca 0.00 2.87 -0.32 0.00 0.48 0.00 0.00 55.95 58.98 2nnr s SER 2 Cb 0.00 -2.65 -0.12 0.00 0.10 0.00 0.00 66.02 63.36 2nnr s SER 2 CO 0.00 -0.77 1.72 -1.00 0.98 0.00 0.00 173.24 174.17 2nnr s HIS 3 N -0.64 2.86 -0.26 5.02 3.76 -1.26 -4.85 115.29 119.92 2nnr s HIS 3 Ca 0.56 0.34 -0.03 0.00 -0.15 0.00 0.00 55.06 55.77 2nnr s HIS 3 Cb -0.44 -4.13 0.02 0.00 1.11 0.00 0.00 32.58 29.14 2nnr s HIS 3 CO 0.53 -4.29 -0.02 0.15 -0.85 0.00 0.00 174.74 170.26 2nnr s LYS 4 N 1.29 2.87 -0.03 1.40 1.02 -1.26 -0.69 119.74 124.34 2nnr s LYS 4 Ca 0.75 -0.97 0.03 0.00 0.02 0.00 0.00 55.97 55.80 2nnr s LYS 4 Cb -0.49 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 2nnr s LYS 4 CO 0.32 -0.42 -0.08 0.14 -0.92 0.00 0.00 175.35 174.39 2nnr s VAL 5 N 1.36 3.57 0.27 3.17 -7.23 0.25 -5.01 120.40 116.79 2nnr s VAL 5 Ca 0.00 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 2nnr s VAL 5 Cb -0.17 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 2nnr s VAL 5 CO -0.03 0.48 0.06 0.35 -0.31 0.00 0.00 175.10 175.66 2nnr n THR 6 N 1.86 0.00 0.12 5.32 -2.24 -1.26 0.09 114.28 118.16 2nnr n THR 6 Ca -0.16 -1.46 0.13 0.00 -2.27 0.00 0.00 64.05 60.29 2nnr n THR 6 Cb 0.53 0.44 0.64 0.00 -2.10 0.00 0.00 70.33 69.84 2nnr n THR 6 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2nnr h LYS 7 N 0.00 0.05 -0.04 -0.78 3.64 -1.99 0.00 116.57 117.45 2nnr h LYS 7 Ca -0.22 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2nnr h LYS 7 Cb 0.76 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2nnr h LYS 7 CO 0.35 0.03 0.11 0.00 -2.27 0.00 0.00 179.45 177.67 2nnr h ALA 8 N 1.86 1.30 -0.52 5.00 0.00 -1.95 -1.72 119.26 123.23 2nnr h ALA 8 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2nnr h ALA 8 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2nnr h ALA 8 CO -0.01 -0.13 0.00 0.72 0.00 0.00 0.00 179.25 179.83 2nnr n HIS 9 N -3.29 0.91 -1.67 0.00 8.25 -0.01 -4.93 115.22 114.48 2nnr n HIS 9 Ca -0.02 -0.40 -0.57 0.00 -0.26 0.00 0.00 57.72 56.47 2nnr n HIS 9 Cb 0.19 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 2nnr n HIS 9 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2nnr n ASN 10 N 0.94 1.85 0.00 0.41 5.15 -0.65 -0.25 115.26 122.71 2nnr n ASN 10 Ca 0.19 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.27 2nnr n ASN 10 Cb 0.57 -1.11 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 2nnr n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2nnr n GLY 11 N 3.48 1.34 3.77 8.20 0.00 0.16 -4.96 105.19 117.18 2nnr n GLY 11 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 2nnr n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnr s ALA 12 N -2.71 2.64 -0.20 4.61 0.00 0.65 -4.77 121.76 121.97 2nnr s ALA 12 Ca 0.00 0.89 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 2nnr s ALA 12 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2nnr s ALA 12 CO 0.00 -0.91 -0.02 0.99 0.00 0.00 0.00 175.76 175.82 2nnr s THR 13 N -1.70 3.77 -0.16 0.00 2.01 -1.26 -0.92 115.64 117.37 2nnr s THR 13 Ca 0.74 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 2nnr s THR 13 Cb -0.26 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2nnr s THR 13 CO 0.29 0.43 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.88 2nnr s LEU 14 N 1.08 3.35 -0.08 4.42 1.02 0.05 -4.98 118.68 123.54 2nnr s LEU 14 Ca 0.02 -0.10 -0.25 0.00 0.02 0.00 0.00 54.13 53.82 2nnr s LEU 14 Cb -0.14 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 2nnr s LEU 14 CO 0.01 0.16 0.78 -0.89 0.02 0.00 0.00 176.35 176.43 2nnr s THR 15 N 0.43 4.97 0.04 5.49 2.01 -1.26 -0.65 115.64 126.66 2nnr s THR 15 Ca -0.02 1.60 -0.00 0.00 0.31 0.00 0.00 61.69 63.58 2nnr s THR 15 Cb -0.14 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 2nnr s THR 15 CO 0.02 0.18 -0.03 0.54 -0.69 0.00 0.00 174.62 174.64 2nnr s VAL 16 N 1.18 0.19 0.23 3.82 0.11 -0.04 -4.94 120.40 120.95 2nnr s VAL 16 Ca 0.40 -1.30 -0.13 0.00 -2.93 0.00 0.00 61.98 58.03 2nnr s VAL 16 Cb -0.18 -0.81 -0.08 0.00 -1.53 0.00 0.00 36.38 33.78 2nnr s VAL 16 CO 0.19 -0.70 0.60 0.00 -3.33 0.00 0.00 175.10 171.86 2nnr s ALA 17 N -2.47 3.50 0.24 1.54 0.00 -1.26 -3.98 121.76 119.33 2nnr s ALA 17 Ca -0.06 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.45 2nnr s ALA 17 Cb -0.03 -2.56 -0.12 0.00 0.00 0.00 0.00 23.12 20.41 2nnr s ALA 17 CO -0.05 0.44 1.64 0.28 0.00 0.00 0.00 175.76 178.08 2nnr n VAL 18 N 0.08 0.48 0.00 0.00 0.31 -1.26 -1.37 118.33 116.56 2nnr n VAL 18 Ca -0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2nnr n VAL 18 Cb 0.52 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 2nnr n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nnr n GLY 19 N 3.07 1.37 3.74 2.92 0.00 0.89 -5.01 105.19 112.17 2nnr n GLY 19 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2nnr n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nnr s GLU 20 N -0.60 4.66 -0.03 1.61 2.12 -0.47 -4.89 118.70 121.10 2nnr s GLU 20 Ca 0.00 1.36 -0.21 0.00 0.36 0.00 0.00 54.97 56.47 2nnr s GLU 20 Cb 0.00 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2nnr s GLU 20 CO 0.00 0.27 0.61 -1.17 -0.54 0.00 0.00 175.26 174.43 2nnr s LEU 21 N -0.16 4.38 -0.09 2.70 0.20 -1.26 -3.58 118.68 120.87 2nnr s LEU 21 Ca 0.44 1.14 0.03 0.00 0.69 0.00 0.00 54.13 56.43 2nnr s LEU 21 Cb -0.23 -2.95 -0.01 0.00 -0.43 0.00 0.00 46.19 42.57 2nnr s LEU 21 CO 0.28 0.04 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.52 2nnr s VAL 22 N 0.11 2.66 -0.31 1.68 1.01 0.14 -4.08 120.40 121.61 2nnr s VAL 22 Ca 0.32 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 2nnr s VAL 22 Cb -0.18 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2nnr s VAL 22 CO 0.17 0.56 0.12 -0.70 0.00 0.00 0.00 175.10 175.24 2nnr s GLU 23 N -0.03 3.18 -0.21 2.72 2.12 0.13 -0.45 118.70 126.17 2nnr s GLU 23 Ca -0.05 -0.81 -0.09 0.00 0.36 0.00 0.00 54.97 54.37 2nnr s GLU 23 Cb -0.14 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 2nnr s GLU 23 CO 0.04 -0.45 0.12 0.42 -0.54 0.00 0.00 175.26 174.86 2nnr s ILE 24 N 1.55 5.23 -0.21 -3.70 1.01 0.12 -0.58 121.20 124.62 2nnr s ILE 24 Ca 0.03 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.83 2nnr s ILE 24 Cb -0.17 -3.39 0.03 0.00 0.01 0.00 0.00 42.46 38.94 2nnr s ILE 24 CO 0.04 0.42 -0.16 -1.10 0.00 0.00 0.00 174.94 174.14 2nnr s GLN 25 N 0.54 2.72 -0.02 2.79 -0.21 0.11 -0.72 119.66 124.88 2nnr s GLN 25 Ca 0.07 -1.02 0.06 0.00 0.02 0.00 0.00 55.36 54.49 2nnr s GLN 25 Cb -0.12 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 31.18 2nnr s GLN 25 CO 0.00 -0.34 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.12 2nnr s LEU 26 N 1.22 2.03 0.36 2.90 1.43 -0.13 -3.89 118.68 122.61 2nnr s LEU 26 Ca -0.00 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 52.45 2nnr s LEU 26 Cb -0.16 -1.03 -0.11 0.00 0.03 0.00 0.00 46.19 44.93 2nnr s LEU 26 CO -0.10 0.24 1.42 -2.84 0.23 0.00 0.00 176.35 175.30 2nnr s PRO 27 N -0.44 4.20 -0.25 1.29 0.02 -1.26 -0.73 135.00 137.82 2nnr s PRO 27 Ca 0.07 2.44 -0.21 0.00 0.02 0.00 0.00 61.00 63.32 2nnr s PRO 27 Cb -0.08 -3.01 0.07 0.00 0.02 0.00 0.00 34.50 31.50 2nnr s PRO 27 CO -0.01 -0.41 0.67 0.45 -0.33 0.00 0.00 177.00 177.37 2nnr s SER 28 N -0.27 -0.74 -0.35 2.53 0.15 -0.50 -4.79 113.70 109.73 2nnr s SER 28 Ca 0.51 1.37 0.01 0.00 0.70 0.00 0.00 55.95 58.53 2nnr s SER 28 Cb -0.44 1.35 0.11 0.00 -1.71 0.00 0.00 66.02 65.33 2nnr s SER 28 CO 0.59 -0.23 0.14 0.21 1.20 0.00 0.00 173.24 175.15 2nnr s ASN 29 N 0.62 3.97 0.24 5.45 3.84 -1.26 -0.49 114.94 127.30 2nnr s ASN 29 Ca -0.02 -2.01 0.21 0.00 0.21 0.00 0.00 52.86 51.25 2nnr s ASN 29 Cb -0.05 -0.98 0.94 0.00 -0.55 0.00 0.00 41.25 40.61 2nnr s ASN 29 CO -0.03 -0.36 1.63 -0.81 -2.79 0.00 0.00 177.10 174.73 2nnr n PRO 30 N 4.37 0.15 0.00 0.43 -0.04 -1.26 -1.74 135.00 136.91 2nnr n PRO 30 Ca 0.02 0.48 0.08 0.00 -0.04 0.00 0.00 63.50 64.04 2nnr n PRO 30 Cb 0.40 -1.84 0.37 0.00 -0.04 0.00 0.00 33.50 32.39 2nnr n PRO 30 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nnr n THR 31 N -2.13 0.77 0.75 0.52 -2.24 -1.26 -1.77 114.28 108.92 2nnr n THR 31 Ca 0.01 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.10 2nnr n THR 31 Cb 0.15 -0.91 0.08 0.00 -2.10 0.00 0.00 70.33 67.55 2nnr n THR 31 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2nnr n THR 32 N -1.45 0.11 -0.15 4.28 -2.24 -0.71 -4.97 114.28 109.16 2nnr n THR 32 Ca 0.05 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2nnr n THR 32 Cb 0.18 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2nnr n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nnr n GLY 33 N 1.42 2.67 3.83 3.38 0.00 -0.73 -5.01 105.19 110.74 2nnr n GLY 33 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2nnr n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nnr s PHE 34 N -3.14 3.33 0.30 1.61 0.08 -1.26 -4.41 117.98 114.49 2nnr s PHE 34 Ca 0.00 1.52 -0.12 0.00 0.12 0.00 0.00 56.93 58.45 2nnr s PHE 34 Cb 0.00 -2.78 0.01 0.00 -0.57 0.00 0.00 43.02 39.68 2nnr s PHE 34 CO 0.00 -0.09 0.57 0.00 -0.10 0.00 0.00 175.22 175.60 2nnr s ALA 35 N -2.18 -0.25 -0.07 5.36 0.00 -0.30 -4.31 121.76 120.00 2nnr s ALA 35 Ca 0.60 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 2nnr s ALA 35 Cb -0.09 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 2nnr s ALA 35 CO 0.15 -0.89 0.56 -1.58 0.00 0.00 0.00 175.76 174.00 2nnr s TRP 36 N -3.48 3.58 0.07 0.00 0.52 -1.26 -0.66 118.94 117.71 2nnr s TRP 36 Ca 0.21 1.06 0.01 0.00 0.02 0.00 0.00 56.10 57.41 2nnr s TRP 36 Cb -0.02 -2.62 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 2nnr s TRP 36 CO 0.12 0.21 -0.06 0.71 0.02 0.00 0.00 176.95 177.95 2nnr s TYR 37 N 0.41 0.75 0.30 -1.98 2.02 -0.40 -4.84 117.35 113.61 2nnr s TYR 37 Ca 0.30 -0.82 -0.30 0.00 -0.37 0.00 0.00 57.07 55.89 2nnr s TYR 37 Cb -0.17 -0.45 -0.11 0.00 -0.40 0.00 0.00 41.96 40.83 2nnr s TYR 37 CO 0.14 -0.17 1.55 -0.06 -1.57 0.00 0.00 175.55 175.44 2nnr s PHE 38 N -3.01 2.78 0.15 2.71 0.40 0.37 -0.20 117.98 121.16 2nnr s PHE 38 Ca 0.04 0.88 0.09 0.00 -0.60 0.00 0.00 56.93 57.34 2nnr s PHE 38 Cb 0.01 -4.02 0.52 0.00 0.51 0.00 0.00 43.02 40.05 2nnr s PHE 38 CO -0.04 -3.33 0.60 -0.85 0.70 0.00 0.00 175.22 172.30 2nnr n GLU 39 N 1.94 -0.02 -1.08 0.44 0.28 -0.74 -1.18 120.64 120.28 2nnr n GLU 39 Ca 0.07 0.52 -0.16 0.00 -0.16 0.00 0.00 57.16 57.43 2nnr n GLU 39 Cb 0.38 -0.95 0.18 0.00 1.43 0.00 0.00 31.44 32.48 2nnr n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2nnr n GLY 40 N -1.11 4.84 0.57 -1.84 0.00 -1.26 -4.92 105.19 101.47 2nnr n GLY 40 Ca 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2nnr n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnr n GLY 41 N -1.11 0.25 0.00 -0.02 0.00 -0.32 -5.12 105.19 98.86 2nnr n GLY 41 Ca 0.48 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2nnr n GLY 41 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2nnr n THR 42 N -0.26 0.00 1.29 2.61 5.66 -1.25 -4.92 114.28 117.43 2nnr n THR 42 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 2nnr n THR 42 Cb 0.06 0.00 0.61 0.00 -1.55 0.00 0.00 70.33 69.45 2nnr n THR 42 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2nnr n LYS 43 N -1.88 0.43 -3.09 1.09 4.76 -1.26 -0.48 118.16 117.73 2nnr n LYS 43 Ca 0.00 -0.11 -0.35 0.00 -2.87 0.00 0.00 58.31 54.97 2nnr n LYS 43 Cb 0.00 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 2nnr n LYS 43 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2nnr s GLU 44 N -2.65 4.20 0.29 1.97 2.02 -1.26 -4.85 118.70 118.42 2nnr s GLU 44 Ca 0.24 0.84 -0.29 0.00 0.02 0.00 0.00 54.97 55.78 2nnr s GLU 44 Cb 0.20 -2.75 -0.13 0.00 0.10 0.00 0.00 34.13 31.55 2nnr s GLU 44 CO 0.51 0.32 1.33 0.45 0.02 0.00 0.00 175.26 177.89 2nnr n SER 45 N 0.41 2.68 0.29 -0.19 2.88 -1.26 -4.81 113.62 113.62 2nnr n SER 45 Ca -0.00 1.18 0.14 0.00 -1.33 0.00 0.00 58.87 58.85 2nnr n SER 45 Cb 0.52 -1.45 0.88 0.00 -0.75 0.00 0.00 64.21 63.41 2nnr n SER 45 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2nnr h PRO 46 N 3.30 0.00 -1.08 -1.46 0.13 -1.96 -3.42 132.00 127.51 2nnr h PRO 46 Ca -0.45 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.79 2nnr h PRO 46 Cb 1.28 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.20 2nnr h PRO 46 CO 0.69 0.02 -0.16 1.21 -0.23 0.00 0.00 178.00 179.53 2nnr s ASN 47 N -6.20 -1.17 0.43 1.44 3.84 -1.26 -5.06 114.94 106.97 2nnr s ASN 47 Ca -0.05 0.91 0.27 0.00 0.21 0.00 0.00 52.86 54.21 2nnr s ASN 47 Cb 0.15 2.05 0.84 0.00 -0.55 0.00 0.00 41.25 43.74 2nnr s ASN 47 CO 0.56 -0.22 1.78 -0.33 -2.79 0.00 0.00 177.10 176.10 2nnr h GLU 48 N 7.97 0.00 0.00 0.43 3.07 -1.82 -1.49 114.58 122.74 2nnr h GLU 48 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 2nnr h GLU 48 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2nnr h GLU 48 CO 0.17 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.65 2nnr n SER 49 N -2.89 0.22 -0.10 1.42 3.41 -1.26 -3.71 113.62 110.71 2nnr n SER 49 Ca 0.03 0.53 -0.17 0.00 -0.26 0.00 0.00 58.87 59.00 2nnr n SER 49 Cb 0.40 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 2nnr n SER 49 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2nnr n MET 50 N -1.72 0.54 -3.71 4.33 2.81 -0.60 -3.82 117.12 114.95 2nnr n MET 50 Ca 0.06 0.39 -0.14 0.00 -1.81 0.00 0.00 57.70 56.19 2nnr n MET 50 Cb 0.31 -1.58 -0.08 0.00 -0.71 0.00 0.00 33.22 31.15 2nnr n MET 50 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2nnr s PHE 51 N -2.51 -0.35 0.28 2.03 -0.12 -0.96 -0.30 117.98 116.05 2nnr s PHE 51 Ca -0.29 0.66 0.05 0.00 -0.05 0.00 0.00 56.93 57.30 2nnr s PHE 51 Cb 0.07 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 2nnr s PHE 51 CO 0.44 -0.39 0.41 0.95 -0.05 0.00 0.00 175.22 176.58 2nnr s THR 52 N -0.92 4.83 -0.05 -4.49 -4.23 0.15 -3.99 115.64 106.94 2nnr s THR 52 Ca -0.10 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 2nnr s THR 52 Cb -0.04 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.12 2nnr s THR 52 CO 0.04 -0.28 0.12 -0.69 -0.54 0.00 0.00 174.62 173.28 2nnr s VAL 53 N -2.07 -0.01 0.13 2.29 1.01 -1.26 -1.66 120.40 118.83 2nnr s VAL 53 Ca 0.38 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.46 2nnr s VAL 53 Cb -0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2nnr s VAL 53 CO 0.30 0.01 -0.15 -1.61 0.00 0.00 0.00 175.10 173.65 2nnr s GLU 54 N 0.24 1.07 0.02 2.72 2.02 -0.79 -4.83 118.70 119.15 2nnr s GLU 54 Ca -0.01 -1.26 -0.00 0.00 0.02 0.00 0.00 54.97 53.71 2nnr s GLU 54 Cb -0.03 -1.00 -0.02 0.00 0.10 0.00 0.00 34.13 33.19 2nnr s GLU 54 CO -0.01 0.20 -0.02 1.21 0.02 0.00 0.00 175.26 176.66 2nnr s ASN 55 N -2.44 0.20 -0.15 -0.19 3.84 -1.26 -0.13 114.94 114.81 2nnr s ASN 55 Ca 0.10 -0.42 -0.16 0.00 0.21 0.00 0.00 52.86 52.58 2nnr s ASN 55 Cb -0.05 0.10 0.04 0.00 -0.55 0.00 0.00 41.25 40.78 2nnr s ASN 55 CO 0.04 -0.27 0.44 -0.75 -2.79 0.00 0.00 177.10 173.77 2nnr s LYS 56 N -1.28 0.56 -0.13 0.43 2.20 -0.27 -5.00 119.74 116.24 2nnr s LYS 56 Ca -0.14 0.53 -0.07 0.00 -0.36 0.00 0.00 55.97 55.92 2nnr s LYS 56 Cb -0.09 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.46 2nnr s LYS 56 CO -0.01 -0.08 0.14 -0.47 -0.36 0.00 0.00 175.35 174.57 2nnr s TYR 57 N 0.03 3.57 -0.18 4.03 5.04 -1.26 -0.37 117.35 128.21 2nnr s TYR 57 Ca -0.02 0.50 0.01 0.00 -2.44 0.00 0.00 57.07 55.12 2nnr s TYR 57 Cb -0.03 -1.97 0.02 0.00 0.35 0.00 0.00 41.96 40.32 2nnr s TYR 57 CO 0.01 0.67 -0.19 -0.06 -1.34 0.00 0.00 175.55 174.65 2nnr s PHE 58 N -0.83 2.78 0.91 4.97 0.08 -0.19 -5.00 117.98 120.71 2nnr s PHE 58 Ca 0.14 -1.57 -0.12 0.00 0.12 0.00 0.00 56.93 55.50 2nnr s PHE 58 Cb -0.12 -1.92 0.14 0.00 -0.57 0.00 0.00 43.02 40.54 2nnr s PHE 58 CO 0.03 -0.77 1.09 -1.25 -0.10 0.00 0.00 175.22 174.23 2nnr s PRO 59 N 1.26 1.15 0.42 0.24 0.04 -1.26 -1.47 135.00 135.37 2nnr s PRO 59 Ca 0.04 0.71 -0.25 0.00 0.04 0.00 0.00 61.00 61.54 2nnr s PRO 59 Cb -0.13 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2nnr s PRO 59 CO -0.11 -2.29 1.24 -1.25 0.04 0.00 0.00 177.00 174.63 2nnr s PRO 60 N -4.98 3.92 0.40 0.56 0.04 -1.26 -4.79 135.00 128.90 2nnr s PRO 60 Ca 0.64 2.01 0.28 0.00 0.04 0.00 0.00 61.00 63.96 2nnr s PRO 60 Cb -0.18 -2.66 1.42 0.00 0.04 0.00 0.00 34.50 33.12 2nnr s PRO 60 CO 0.57 -0.48 1.84 -0.44 0.04 0.00 0.00 177.00 178.53 2nnr h ASP 61 N 2.52 0.00 1.78 6.66 3.32 -1.93 -2.08 116.42 126.69 2nnr h ASP 61 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2nnr h ASP 61 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2nnr h ASP 61 CO 0.62 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.91 2nnr h SER 62 N 0.00 0.00 -0.83 6.45 4.64 -1.98 -3.46 113.55 118.37 2nnr h SER 62 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 2nnr h SER 62 Cb 0.10 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.05 2nnr h SER 62 CO 0.00 0.00 -0.32 0.29 -0.87 0.00 0.00 176.83 175.93 2nnr n LYS 63 N -2.82 -1.50 -2.83 4.77 5.02 -0.78 -4.94 118.16 115.08 2nnr n LYS 63 Ca 0.04 1.11 -0.40 0.00 -2.02 0.00 0.00 58.31 57.04 2nnr n LYS 63 Cb 0.49 -5.49 -0.05 0.00 -0.02 0.00 0.00 35.03 29.95 2nnr n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nnr s LEU 64 N -3.97 4.56 0.29 -0.35 1.43 -1.26 -4.98 118.68 114.40 2nnr s LEU 64 Ca 0.00 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 54.56 2nnr s LEU 64 Cb 0.00 -3.48 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 2nnr s LEU 64 CO 0.00 0.08 1.43 -0.76 0.23 0.00 0.00 176.35 177.33 2nnr s LEU 65 N -0.62 4.38 0.00 1.79 1.43 -1.26 -2.44 118.68 121.96 2nnr s LEU 65 Ca 0.41 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 56.27 2nnr s LEU 65 Cb -0.24 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.35 2nnr s LEU 65 CO 0.29 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.77 2nnr n GLY 66 N 1.61 1.65 3.77 -3.19 0.00 -1.26 -5.02 105.19 102.76 2nnr n GLY 66 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2nnr n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnr s ALA 67 N -3.46 3.46 0.54 4.61 0.00 -1.02 -4.97 121.76 120.91 2nnr s ALA 67 Ca 0.00 0.29 -0.20 0.00 0.00 0.00 0.00 51.96 52.05 2nnr s ALA 67 Cb 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.15 2nnr s ALA 67 CO 0.00 0.26 1.13 0.20 0.00 0.00 0.00 175.76 177.35 2nnr s GLY 68 N -0.90 2.64 0.00 0.00 0.00 -1.26 -4.69 107.32 103.11 2nnr s GLY 68 Ca 0.35 0.82 0.00 0.00 0.00 0.00 0.00 44.72 45.89 2nnr s GLY 68 CO 0.24 1.18 0.00 0.61 0.00 0.00 0.00 173.10 175.13 2nnr n GLY 69 N 0.16 3.99 2.92 0.20 0.00 0.35 -4.10 105.19 108.71 2nnr n GLY 69 Ca 0.11 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 2nnr n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nnr s THR 70 N 3.16 -0.04 0.03 2.61 2.01 -0.54 -1.42 115.64 121.44 2nnr s THR 70 Ca 0.00 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.99 2nnr s THR 70 Cb 0.00 -0.22 -0.06 0.00 0.01 0.00 0.00 72.50 72.23 2nnr s THR 70 CO 0.00 0.07 0.51 -1.61 -0.69 0.00 0.00 174.62 172.90 2nnr s GLU 71 N 1.05 4.13 -0.18 4.92 2.02 0.09 -1.02 118.70 129.72 2nnr s GLU 71 Ca -0.08 0.60 -0.03 0.00 0.02 0.00 0.00 54.97 55.48 2nnr s GLU 71 Cb -0.10 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 2nnr s GLU 71 CO -0.05 0.60 -0.06 -1.01 0.02 0.00 0.00 175.26 174.75 2nnr s HIS 72 N -0.88 2.94 -0.21 1.61 3.76 0.50 -0.95 115.29 122.06 2nnr s HIS 72 Ca 0.27 -0.65 -0.04 0.00 -0.15 0.00 0.00 55.06 54.49 2nnr s HIS 72 Cb -0.18 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 2nnr s HIS 72 CO 0.16 -0.29 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.66 2nnr s PHE 73 N 0.84 2.97 -0.40 1.40 0.08 0.10 -1.12 117.98 121.85 2nnr s PHE 73 Ca -0.02 -0.74 -0.14 0.00 0.12 0.00 0.00 56.93 56.15 2nnr s PHE 73 Cb -0.15 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.24 2nnr s PHE 73 CO 0.01 -0.42 0.28 -1.01 -0.10 0.00 0.00 175.22 173.98 2nnr s HIS 74 N 1.24 3.24 -0.15 0.36 3.76 0.82 -0.70 115.29 123.86 2nnr s HIS 74 Ca 0.03 -0.66 -0.02 0.00 -0.15 0.00 0.00 55.06 54.26 2nnr s HIS 74 Cb -0.14 -2.55 -0.02 0.00 1.11 0.00 0.00 32.58 30.97 2nnr s HIS 74 CO -0.01 -0.59 -0.07 0.08 -0.85 0.00 0.00 174.74 173.30 2nnr s VAL 75 N 1.65 3.53 -0.22 -0.90 1.01 0.41 -1.88 120.40 124.01 2nnr s VAL 75 Ca 0.04 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2nnr s VAL 75 Cb -0.19 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.71 2nnr s VAL 75 CO 0.09 0.50 -0.12 -0.89 0.00 0.00 0.00 175.10 174.69 2nnr s THR 76 N 0.42 1.85 0.19 3.92 2.01 -0.67 0.24 115.64 123.60 2nnr s THR 76 Ca -0.06 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 60.44 2nnr s THR 76 Cb -0.15 -1.91 -0.08 0.00 0.01 0.00 0.00 72.50 70.37 2nnr s THR 76 CO 0.04 0.14 1.23 -0.69 -0.69 0.00 0.00 174.62 174.65 2nnr s VAL 77 N 1.29 3.46 -0.20 3.82 1.01 -1.24 -0.68 120.40 127.87 2nnr s VAL 77 Ca -0.03 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.22 2nnr s VAL 77 Cb -0.17 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2nnr s VAL 77 CO -0.08 0.20 0.18 0.29 0.00 0.00 0.00 175.10 175.69 2nnr n LYS 78 N 2.47 5.22 -3.85 2.72 4.76 0.59 -0.08 118.16 130.00 2nnr n LYS 78 Ca 0.05 -0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.36 2nnr n LYS 78 Cb 0.44 -0.73 -0.12 0.00 -1.84 0.00 0.00 35.03 32.78 2nnr n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2nnr s ALA 79 N -1.47 -0.27 0.54 7.82 0.00 -1.20 -4.85 121.76 122.33 2nnr s ALA 79 Ca 0.01 0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 2nnr s ALA 79 Cb 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 2nnr s ALA 79 CO 0.18 -0.08 1.27 0.00 0.00 0.00 0.00 175.76 177.13 2nnr n ALA 80 N 2.70 1.26 0.00 0.00 0.00 -1.26 -4.78 120.51 118.42 2nnr n ALA 80 Ca -0.15 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2nnr n ALA 80 Cb 0.58 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2nnr n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnr n GLY 81 N 0.87 0.98 3.21 0.00 0.00 0.34 -4.94 105.19 105.65 2nnr n GLY 81 Ca 0.11 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 2nnr n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nnr s THR 82 N -1.56 2.89 -0.23 2.61 2.01 -1.26 -0.37 115.64 119.72 2nnr s THR 82 Ca 0.00 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 60.97 2nnr s THR 82 Cb 0.00 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 2nnr s THR 82 CO 0.00 0.25 0.06 -1.00 -0.69 0.00 0.00 174.62 173.23 2nnr s HIS 83 N 1.34 3.10 -0.15 4.92 4.02 0.89 -4.87 115.29 124.54 2nnr s HIS 83 Ca 0.01 -0.33 -0.28 0.00 1.02 0.00 0.00 55.06 55.48 2nnr s HIS 83 Cb -0.16 -2.19 -0.01 0.00 -1.02 0.00 0.00 32.58 29.20 2nnr s HIS 83 CO -0.05 -0.25 0.94 0.00 1.02 0.00 0.00 174.74 176.40 2nnr s ALA 84 N 1.31 3.49 -0.42 -1.40 0.00 -1.26 -0.28 121.76 123.20 2nnr s ALA 84 Ca 0.05 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 2nnr s ALA 84 Cb -0.15 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.65 2nnr s ALA 84 CO 0.03 -0.69 0.29 0.08 0.00 0.00 0.00 175.76 175.47 2nnr s VAL 85 N 2.23 4.89 -0.24 0.00 1.01 0.40 -5.00 120.40 123.69 2nnr s VAL 85 Ca 0.44 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2nnr s VAL 85 Cb -0.17 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2nnr s VAL 85 CO 0.14 -0.38 -0.09 0.20 0.00 0.00 0.00 175.10 174.97 2nnr s ASN 86 N 1.93 4.18 0.20 3.32 0.02 -1.26 -1.71 114.94 121.62 2nnr s ASN 86 Ca 0.03 -0.93 0.11 0.00 -1.02 0.00 0.00 52.86 51.06 2nnr s ASN 86 Cb -0.21 -1.62 -0.04 0.00 0.02 0.00 0.00 41.25 39.39 2nnr s ASN 86 CO 0.07 -0.12 -0.24 -0.76 0.02 0.00 0.00 177.10 176.07 2nnr s LEU 87 N 1.28 2.44 -0.01 0.60 1.43 0.48 -1.78 118.68 123.12 2nnr s LEU 87 Ca -0.01 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2nnr s LEU 87 Cb -0.17 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 44.89 2nnr s LEU 87 CO -0.06 0.12 0.00 -0.89 0.23 0.00 0.00 176.35 175.75 2nnr s THR 88 N -1.72 0.05 -0.42 5.49 2.01 0.72 -0.88 115.64 120.89 2nnr s THR 88 Ca 0.21 0.03 -0.22 0.00 0.31 0.00 0.00 61.69 62.03 2nnr s THR 88 Cb -0.08 -0.09 0.02 0.00 0.01 0.00 0.00 72.50 72.36 2nnr s THR 88 CO 0.10 0.05 0.71 -0.47 -0.69 0.00 0.00 174.62 174.32 2nnr s TYR 89 N 0.33 3.05 0.12 4.92 5.04 0.00 -1.27 117.35 129.55 2nnr s TYR 89 Ca -0.03 0.15 -0.07 0.00 -2.44 0.00 0.00 57.07 54.68 2nnr s TYR 89 Cb -0.04 -3.44 -0.01 0.00 0.35 0.00 0.00 41.96 38.81 2nnr s TYR 89 CO -0.01 -0.86 0.19 0.00 -1.34 0.00 0.00 175.55 173.53 2nnr s MET 90 N 3.01 0.97 -0.18 4.97 0.23 0.16 -4.23 119.30 124.23 2nnr s MET 90 Ca 0.26 -1.14 -0.23 0.00 -1.03 0.00 0.00 55.69 53.56 2nnr s MET 90 Cb -0.13 0.33 -0.02 0.00 -1.53 0.00 0.00 34.83 33.48 2nnr s MET 90 CO 0.20 -0.32 0.71 1.03 -2.03 0.00 0.00 175.02 174.61 2nnr s ARG 91 N -3.94 4.25 0.59 3.16 0.52 -1.26 -1.15 118.95 121.12 2nnr s ARG 91 Ca 0.13 0.79 0.34 0.00 -0.52 0.00 0.00 55.73 56.47 2nnr s ARG 91 Cb 0.05 -3.57 1.84 0.00 0.52 0.00 0.00 34.95 33.78 2nnr s ARG 91 CO -0.04 -0.27 2.20 -1.00 0.02 0.00 0.00 175.30 176.20 2nnr h PRO 92 N 7.40 0.00 -0.00 3.54 0.13 -1.94 -0.91 132.00 140.22 2nnr h PRO 92 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2nnr h PRO 92 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2nnr h PRO 92 CO 0.80 0.04 -0.14 -2.67 -0.23 0.00 0.00 178.00 175.80 2nnr n TRP 93 N -3.42 0.00 -0.08 1.56 2.14 -1.26 -3.95 117.44 112.43 2nnr n TRP 93 Ca -0.02 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.45 2nnr n TRP 93 Cb 0.16 -0.22 -0.08 0.00 -0.81 0.00 0.00 31.31 30.36 2nnr n TRP 93 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 2nnr n THR 94 N -1.05 0.92 -3.45 -1.67 -1.04 -0.47 -5.14 114.28 102.38 2nnr n THR 94 Ca 0.13 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2nnr n THR 94 Cb 0.29 -0.98 -0.00 0.00 -1.82 0.00 0.00 70.33 67.83 2nnr n THR 94 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2nnr n GLY 95 N 2.60 -2.03 3.89 3.41 0.00 -0.48 -4.96 105.19 107.62 2nnr n GLY 95 Ca -0.27 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 2nnr n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nnr s PRO 96 N -0.19 3.52 0.24 1.61 0.04 -1.26 -4.66 135.00 134.30 2nnr s PRO 96 Ca 0.00 0.38 -0.05 0.00 0.04 0.00 0.00 61.00 61.37 2nnr s PRO 96 Cb 0.00 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.30 2nnr s PRO 96 CO 0.00 -0.37 0.42 -1.13 0.04 0.00 0.00 177.00 175.95 2nnr n SER 97 N -2.46 -1.20 -0.30 6.66 3.41 -1.26 -5.01 113.62 113.46 2nnr n SER 97 Ca 0.03 -2.14 0.06 0.00 -0.26 0.00 0.00 58.87 56.56 2nnr n SER 97 Cb 0.55 2.09 0.21 0.00 -0.26 0.00 0.00 64.21 66.80 2nnr n SER 97 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2nnr h HIS 98 N 1.66 0.82 -0.40 7.33 2.76 -2.05 -0.95 115.15 124.31 2nnr h HIS 98 Ca -0.20 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 2nnr h HIS 98 Cb 0.79 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2nnr h HIS 98 CO 0.00 0.24 0.00 -0.25 -1.30 0.00 0.00 177.93 176.62 2nnr n ASP 99 N -4.82 2.16 -4.76 3.26 8.00 -1.26 -4.90 116.55 114.23 2nnr n ASP 99 Ca 0.16 -1.98 -0.41 0.00 0.71 0.00 0.00 54.79 53.27 2nnr n ASP 99 Cb 0.40 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 2nnr n ASP 99 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2nnr s SER 100 N -1.03 6.99 0.10 -2.24 0.01 -0.36 -4.99 113.70 112.18 2nnr s SER 100 Ca 0.28 2.48 -0.30 0.00 1.31 0.00 0.00 55.95 59.72 2nnr s SER 100 Cb 0.14 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 2nnr s SER 100 CO 0.19 -0.37 1.15 -0.70 0.41 0.00 0.00 173.24 173.92 2nnr s GLU 101 N -1.45 4.50 0.16 12.44 2.12 -1.26 -4.93 118.70 130.28 2nnr s GLU 101 Ca 0.48 1.74 0.11 0.00 0.36 0.00 0.00 54.97 57.66 2nnr s GLU 101 Cb -0.36 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 2nnr s GLU 101 CO 0.46 -0.13 -0.24 1.03 -0.54 0.00 0.00 175.26 175.85 2nnr s ARG 102 N 0.50 1.42 -0.01 4.30 0.52 -1.26 -0.82 118.95 123.60 2nnr s ARG 102 Ca 0.55 -1.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 2nnr s ARG 102 Cb -0.29 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.40 2nnr s ARG 102 CO 0.32 0.40 -0.05 0.12 0.02 0.00 0.00 175.30 176.11 2nnr s PHE 103 N -1.46 0.50 -0.03 -0.53 5.36 -0.06 -5.00 117.98 116.76 2nnr s PHE 103 Ca 0.17 -0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.06 2nnr s PHE 103 Cb -0.09 -0.38 0.01 0.00 -0.34 0.00 0.00 43.02 42.23 2nnr s PHE 103 CO 0.08 -0.05 -0.06 0.99 -1.46 0.00 0.00 175.22 174.72 2nnr s THR 104 N 0.19 0.57 0.04 0.12 2.01 -1.26 -0.39 115.64 116.91 2nnr s THR 104 Ca -0.02 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 61.85 2nnr s THR 104 Cb -0.06 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 2nnr s THR 104 CO -0.00 0.21 -0.16 0.54 -0.69 0.00 0.00 174.62 174.51 2nnr s VAL 105 N 0.58 1.30 -0.21 3.82 0.11 -0.69 0.36 120.40 125.67 2nnr s VAL 105 Ca -0.08 -1.03 -0.09 0.00 -2.93 0.00 0.00 61.98 57.85 2nnr s VAL 105 Cb -0.11 -1.15 -0.05 0.00 -1.53 0.00 0.00 36.38 33.54 2nnr s VAL 105 CO 0.00 0.10 0.11 -0.31 -3.33 0.00 0.00 175.10 171.67 2nnr s TYR 106 N -0.79 3.31 -0.29 1.54 2.02 -0.10 -0.45 117.35 122.59 2nnr s TYR 106 Ca 0.04 0.16 -0.05 0.00 -0.37 0.00 0.00 57.07 56.85 2nnr s TYR 106 Cb -0.08 -2.16 0.01 0.00 -0.40 0.00 0.00 41.96 39.34 2nnr s TYR 106 CO 0.01 0.14 0.05 -0.51 -1.57 0.00 0.00 175.55 173.67 2nnr s LEU 107 N 0.61 3.71 -0.35 -1.29 1.43 0.61 -0.77 118.68 122.62 2nnr s LEU 107 Ca 0.06 -0.77 -0.10 0.00 -1.03 0.00 0.00 54.13 52.28 2nnr s LEU 107 Cb -0.12 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2nnr s LEU 107 CO 0.01 -0.18 0.18 -0.75 0.23 0.00 0.00 176.35 175.84 2nnr s LYS 108 N 1.45 2.94 0.02 1.70 2.20 0.17 -0.08 119.74 128.14 2nnr s LYS 108 Ca 0.02 -1.00 0.05 0.00 -0.36 0.00 0.00 55.97 54.68 2nnr s LYS 108 Cb -0.17 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 2nnr s LYS 108 CO 0.01 -0.62 -0.12 0.00 -0.36 0.00 0.00 175.35 174.26 2nnr s ALA 109 N 1.56 2.83 -2.89 3.13 0.00 0.50 -0.86 121.76 126.02 2nnr s ALA 109 Ca 0.02 -1.10 0.25 0.00 0.00 0.00 0.00 51.96 51.13 2nnr s ALA 109 Cb -0.19 -0.95 0.38 0.00 0.00 0.00 0.00 23.12 22.36 2nnr s ALA 109 CO 0.06 0.60 1.37 0.09 0.00 0.00 0.00 175.76 177.88