#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vwi h GLU 14 N 0.00 0.15 0.36 0.00 -0.00 -1.91 -2.70 114.58 110.48 1vwi h GLU 14 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1vwi h GLU 14 Cb 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 28.69 1vwi h GLU 14 CO 0.00 0.10 -0.41 0.00 -0.00 0.00 0.00 179.01 178.70 1vwi h ALA 15 N 1.80 -0.86 -0.99 1.06 0.00 -1.92 0.39 119.26 118.75 1vwi h ALA 15 Ca 0.54 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.50 1vwi h ALA 15 Cb 1.08 0.60 -0.10 0.00 0.00 0.00 0.00 17.79 19.37 1vwi h ALA 15 CO -0.70 -1.03 0.61 0.78 0.00 0.00 0.00 179.25 178.92 1vwi h GLY 16 N -0.80 1.63 0.83 0.00 0.00 -1.93 -1.51 103.07 101.29 1vwi h GLY 16 Ca -0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 1vwi h GLY 16 CO -0.09 -0.02 -0.57 -2.22 0.00 0.00 0.00 176.54 173.64 1vwi h ILE 17 N 0.75 1.40 -3.07 2.60 2.04 -1.34 -3.44 117.51 116.44 1vwi h ILE 17 Ca 0.55 -1.97 -0.58 0.00 1.00 0.00 0.00 64.86 63.86 1vwi h ILE 17 Cb 0.87 2.42 0.10 0.00 -0.74 0.00 0.00 36.82 39.47 1vwi h ILE 17 CO -0.33 0.58 0.47 0.41 0.00 0.00 0.00 178.15 179.28 1vwi n THR 18 N -4.22 1.81 0.00 -0.27 -1.04 0.10 -4.81 114.28 105.84 1vwi n THR 18 Ca -0.09 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 1vwi n THR 18 Cb 0.65 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1vwi n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vwi n GLY 19 N 1.08 0.97 3.57 3.41 0.00 -0.57 -4.71 105.19 108.95 1vwi n GLY 19 Ca 0.07 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 1vwi n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vwi s THR 20 N -2.21 3.83 0.09 2.61 2.01 0.33 -1.49 115.64 120.81 1vwi s THR 20 Ca 0.00 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1vwi s THR 20 Cb 0.00 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1vwi s THR 20 CO 0.00 0.57 -0.10 0.26 -0.69 0.00 0.00 174.62 174.67 1vwi s TRP 21 N -0.53 1.00 0.06 4.92 0.52 0.13 -0.25 118.94 124.80 1vwi s TRP 21 Ca 0.08 -0.66 0.01 0.00 0.02 0.00 0.00 56.10 55.55 1vwi s TRP 21 Cb -0.12 -0.55 -0.03 0.00 -1.15 0.00 0.00 33.47 31.61 1vwi s TRP 21 CO 0.02 -0.03 -0.06 0.71 0.02 0.00 0.00 176.95 177.62 1vwi s TYR 22 N -2.40 0.67 0.45 -1.98 2.02 -0.46 -0.99 117.35 114.67 1vwi s TYR 22 Ca 0.04 -0.79 0.03 0.00 -0.37 0.00 0.00 57.07 55.98 1vwi s TYR 22 Cb -0.03 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 41.07 1vwi s TYR 22 CO -0.00 -0.19 0.03 0.54 -1.57 0.00 0.00 175.55 174.36 1vwi s ASN 23 N -2.43 3.67 0.29 2.29 2.20 -1.04 -0.71 114.94 119.21 1vwi s ASN 23 Ca 0.02 -1.56 0.20 0.00 -0.94 0.00 0.00 52.86 50.58 1vwi s ASN 23 Cb -0.00 0.22 1.05 0.00 -2.00 0.00 0.00 41.25 40.51 1vwi s ASN 23 CO -0.04 -0.74 1.60 0.00 -2.94 0.00 0.00 177.10 174.98 1vwi n GLN 24 N -1.07 0.13 0.05 3.55 0.00 -1.25 -1.47 117.38 117.32 1vwi n GLN 24 Ca -0.12 0.61 0.12 0.00 0.00 0.00 0.00 57.00 57.61 1vwi n GLN 24 Cb 0.67 -1.91 0.10 0.00 0.00 0.00 0.00 30.24 29.10 1vwi n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1vwi n LEU 25 N -2.18 0.66 0.00 2.61 4.77 -1.26 -4.94 117.00 116.67 1vwi n LEU 25 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1vwi n LEU 25 Cb 0.04 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1vwi n LEU 25 CO 0.09 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1vwi n GLY 26 N 1.34 1.12 3.88 -0.72 0.00 -0.54 -4.73 105.19 105.54 1vwi n GLY 26 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1vwi n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vwi s SER 27 N -2.00 6.30 -0.09 1.61 0.01 -1.26 -3.43 113.70 114.85 1vwi s SER 27 Ca 0.00 1.23 0.03 0.00 1.31 0.00 0.00 55.95 58.52 1vwi s SER 27 Cb 0.00 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1vwi s SER 27 CO 0.00 -0.70 -0.17 -0.89 0.41 0.00 0.00 173.24 171.89 1vwi s THR 28 N -2.90 2.77 -0.09 1.44 2.01 -0.21 -2.49 115.64 116.16 1vwi s THR 28 Ca 0.52 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1vwi s THR 28 Cb -0.11 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1vwi s THR 28 CO 0.47 0.56 -0.12 0.12 -0.69 0.00 0.00 174.62 174.96 1vwi s PHE 29 N -0.12 1.63 -0.17 4.92 5.36 -0.16 0.44 117.98 129.88 1vwi s PHE 29 Ca -0.03 -0.73 0.01 0.00 -0.96 0.00 0.00 56.93 55.23 1vwi s PHE 29 Cb -0.14 -1.23 0.02 0.00 -0.34 0.00 0.00 43.02 41.33 1vwi s PHE 29 CO 0.04 -0.42 -0.19 0.42 -1.46 0.00 0.00 175.22 173.61 1vwi s ILE 30 N 1.09 1.98 0.06 3.12 1.01 -0.38 -0.69 121.20 127.40 1vwi s ILE 30 Ca -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1vwi s ILE 30 Cb -0.14 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1vwi s ILE 30 CO -0.02 0.53 -0.08 0.54 0.00 0.00 0.00 174.94 175.91 1vwi s VAL 31 N 1.24 0.66 -0.08 2.92 0.11 -0.56 -1.98 120.40 122.71 1vwi s VAL 31 Ca 0.03 -1.31 0.01 0.00 -2.93 0.00 0.00 61.98 57.78 1vwi s VAL 31 Cb -0.13 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 33.81 1vwi s VAL 31 CO -0.11 -0.47 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.20 1vwi s THR 32 N -1.88 1.08 -0.23 5.04 2.01 -0.45 -1.52 115.64 119.70 1vwi s THR 32 Ca -0.04 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 1vwi s THR 32 Cb -0.07 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1vwi s THR 32 CO -0.00 0.35 0.15 0.00 -0.69 0.00 0.00 174.62 174.43 1vwi s ALA 33 N 1.04 3.63 0.44 7.40 0.00 -1.26 -2.19 121.76 130.82 1vwi s ALA 33 Ca -0.07 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1vwi s ALA 33 Cb -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1vwi s ALA 33 CO -0.01 -0.07 0.64 0.20 0.00 0.00 0.00 175.76 176.53 1vwi s GLY 34 N 0.81 1.64 0.54 0.00 0.00 0.68 -4.81 107.32 106.18 1vwi s GLY 34 Ca 0.08 -1.22 0.30 0.00 0.00 0.00 0.00 44.72 43.88 1vwi s GLY 34 CO 0.02 -1.05 2.07 0.00 0.00 0.00 0.00 173.10 174.15 1vwi h ALA 35 N 0.45 1.18 -0.13 3.20 0.00 -1.98 -2.51 119.26 119.46 1vwi h ALA 35 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1vwi h ALA 35 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1vwi h ALA 35 CO 0.55 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 1vwi n ASP 36 N -3.47 1.91 0.00 0.00 5.75 -1.26 -4.85 116.55 114.64 1vwi n ASP 36 Ca -0.01 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 1vwi n ASP 36 Cb 0.25 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1vwi n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vwi n GLY 37 N 0.23 0.83 3.86 6.12 0.00 -0.95 -5.01 105.19 110.28 1vwi n GLY 37 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1vwi n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vwi s ALA 38 N -3.27 3.33 -0.09 4.61 0.00 -1.25 -1.34 121.76 123.76 1vwi s ALA 38 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1vwi s ALA 38 Cb 0.00 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.40 1vwi s ALA 38 CO 0.00 0.14 -0.11 -1.17 0.00 0.00 0.00 175.76 174.62 1vwi s LEU 39 N -3.46 1.50 0.05 0.00 2.96 -0.29 -0.23 118.68 119.21 1vwi s LEU 39 Ca 0.53 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1vwi s LEU 39 Cb -0.10 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 1vwi s LEU 39 CO 0.25 -0.02 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.34 1vwi s THR 40 N 1.05 0.21 -5.00 3.68 2.01 -0.93 -1.08 115.64 115.59 1vwi s THR 40 Ca -0.07 -1.73 0.00 0.00 0.31 0.00 0.00 61.69 60.20 1vwi s THR 40 Cb -0.15 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.95 1vwi s THR 40 CO -0.01 -0.96 0.00 0.61 -0.69 0.00 0.00 174.62 173.57 1vwi n GLY 41 N 0.23 -0.64 3.20 4.40 0.00 -1.05 -1.34 105.19 109.99 1vwi n GLY 41 Ca -0.15 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.48 1vwi n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vwi s THR 42 N -2.98 1.22 -0.05 2.61 -4.23 -0.84 -1.46 115.64 109.91 1vwi s THR 42 Ca 0.00 -1.40 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 1vwi s THR 42 Cb 0.00 -1.21 -0.00 0.00 1.34 0.00 0.00 72.50 72.63 1vwi s THR 42 CO 0.00 -0.24 -0.20 -0.47 -0.54 0.00 0.00 174.62 173.17 1vwi s TYR 43 N -1.41 1.98 0.02 3.99 6.14 0.24 -1.25 117.35 127.06 1vwi s TYR 43 Ca 0.01 -0.61 0.08 0.00 0.64 0.00 0.00 57.07 57.18 1vwi s TYR 43 Cb -0.09 -1.33 -0.02 0.00 0.42 0.00 0.00 41.96 40.94 1vwi s TYR 43 CO 0.03 -0.21 -0.22 -1.21 0.64 0.00 0.00 175.55 174.57 1vwi s GLU 44 N 0.06 1.61 0.81 4.97 2.02 0.17 -1.09 118.70 127.26 1vwi s GLU 44 Ca -0.06 -0.93 -0.11 0.00 0.02 0.00 0.00 54.97 53.89 1vwi s GLU 44 Cb -0.13 -1.68 0.08 0.00 0.10 0.00 0.00 34.13 32.50 1vwi s GLU 44 CO 0.03 0.44 1.09 0.45 0.02 0.00 0.00 175.26 177.30 1vwi s SER 45 N -0.97 4.21 -0.53 -0.19 0.15 -1.07 -1.04 113.70 114.26 1vwi s SER 45 Ca 0.09 1.62 -0.27 0.00 0.70 0.00 0.00 55.95 58.10 1vwi s SER 45 Cb -0.09 -2.34 -0.08 0.00 -1.71 0.00 0.00 66.02 61.80 1vwi s SER 45 CO 0.01 -2.19 2.44 0.00 1.20 0.00 0.00 173.24 174.70 1vwi n ALA 46 N -3.61 0.75 -1.04 5.45 0.00 -1.26 -4.52 120.51 116.29 1vwi n ALA 46 Ca 0.08 -0.87 0.08 0.00 0.00 0.00 0.00 53.44 52.73 1vwi n ALA 46 Cb 0.54 -3.12 -0.02 0.00 0.00 0.00 0.00 19.45 16.85 1vwi n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vwi n VAL 47 N 7.95 0.00 0.00 0.00 0.31 -1.22 -4.92 118.33 120.45 1vwi n VAL 47 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1vwi n VAL 47 Cb 0.50 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 1vwi n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vwi n GLY 48 N -1.68 1.94 0.24 2.92 0.00 -1.26 -5.04 105.19 102.32 1vwi n GLY 48 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1vwi n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vwi n ASN 49 N 0.00 -1.44 -0.06 1.61 2.85 -1.26 -4.69 115.26 112.27 1vwi n ASN 49 Ca 0.00 0.10 -0.15 0.00 -0.11 0.00 0.00 54.58 54.42 1vwi n ASN 49 Cb 0.00 -0.74 -0.06 0.00 1.24 0.00 0.00 39.78 40.22 1vwi n ASN 49 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1vwi h ALA 50 N -0.23 0.32 0.00 5.20 0.00 -2.02 -3.36 119.26 119.18 1vwi h ALA 50 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1vwi h ALA 50 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1vwi h ALA 50 CO 0.00 0.45 0.00 -0.85 0.00 0.00 0.00 179.25 178.85 1vwi n GLU 51 N -4.21 0.74 -1.46 0.00 0.28 -1.26 -3.79 120.64 110.95 1vwi n GLU 51 Ca -0.06 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.78 1vwi n GLU 51 Cb 0.56 -1.13 0.10 0.00 1.43 0.00 0.00 31.44 32.40 1vwi n GLU 51 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1vwi n SER 52 N 1.30 4.11 -4.56 -1.84 7.64 -1.26 -4.89 113.62 114.12 1vwi n SER 52 Ca 0.00 -3.80 -0.34 0.00 1.01 0.00 0.00 58.87 55.74 1vwi n SER 52 Cb 0.37 -0.49 -0.11 0.00 -1.01 0.00 0.00 64.21 62.97 1vwi n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1vwi s ARG 53 N -3.49 3.39 0.10 1.43 0.52 -1.25 -2.60 118.95 117.05 1vwi s ARG 53 Ca 0.49 -0.49 0.06 0.00 -0.52 0.00 0.00 55.73 55.27 1vwi s ARG 53 Cb 0.41 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 1vwi s ARG 53 CO 0.00 0.41 -0.16 0.71 0.02 0.00 0.00 175.30 176.29 1vwi s TYR 54 N -0.10 1.44 0.25 -0.53 1.51 -0.25 -4.88 117.35 114.79 1vwi s TYR 54 Ca 0.03 -0.49 -0.28 0.00 -1.01 0.00 0.00 57.07 55.32 1vwi s TYR 54 Cb -0.13 -0.77 -0.09 0.00 -0.11 0.00 0.00 41.96 40.86 1vwi s TYR 54 CO 0.02 0.14 0.91 0.08 -1.11 0.00 0.00 175.55 175.59 1vwi s VAL 55 N -1.66 4.18 0.05 0.71 1.01 -1.26 -0.59 120.40 122.84 1vwi s VAL 55 Ca 0.05 1.91 0.04 0.00 0.00 0.00 0.00 61.98 63.98 1vwi s VAL 55 Cb -0.08 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1vwi s VAL 55 CO 0.03 0.38 -0.12 -1.48 0.00 0.00 0.00 175.10 173.92 1vwi s LEU 56 N -1.48 2.24 -0.00 3.92 0.05 -0.53 -4.31 118.68 118.57 1vwi s LEU 56 Ca 0.43 -0.55 -0.03 0.00 0.05 0.00 0.00 54.13 54.04 1vwi s LEU 56 Cb -0.23 -0.39 -0.00 0.00 -2.05 0.00 0.00 46.19 43.51 1vwi s LEU 56 CO 0.28 -0.10 0.05 0.28 -0.55 0.00 0.00 176.35 176.31 1vwi s THR 57 N -1.20 0.05 0.09 5.48 -1.32 -1.10 -2.51 115.64 115.13 1vwi s THR 57 Ca -0.04 -0.45 -0.05 0.00 -1.21 0.00 0.00 61.69 59.94 1vwi s THR 57 Cb -0.09 -0.22 0.02 0.00 -1.51 0.00 0.00 72.50 70.69 1vwi s THR 57 CO 0.01 -0.25 0.25 0.61 -2.21 0.00 0.00 174.62 173.03 1vwi n GLY 58 N 2.22 1.50 3.04 6.08 0.00 -0.24 -1.09 105.19 116.70 1vwi n GLY 58 Ca -0.18 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 1vwi n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vwi s ARG 59 N -2.02 0.40 0.11 1.61 1.81 -0.63 -1.13 118.95 119.09 1vwi s ARG 59 Ca 0.05 -0.56 0.04 0.00 -1.72 0.00 0.00 55.73 53.54 1vwi s ARG 59 Cb -0.01 0.16 -0.04 0.00 -0.45 0.00 0.00 34.95 34.61 1vwi s ARG 59 CO 0.03 -0.08 -0.11 1.52 -0.68 0.00 0.00 175.30 175.98 1vwi s TYR 60 N -1.59 1.14 -0.49 -0.53 1.13 -0.45 -1.83 117.35 114.73 1vwi s TYR 60 Ca -0.14 -0.65 -0.17 0.00 -1.41 0.00 0.00 57.07 54.70 1vwi s TYR 60 Cb -0.08 -0.61 0.07 0.00 -1.10 0.00 0.00 41.96 40.24 1vwi s TYR 60 CO -0.01 0.03 0.50 0.34 -2.51 0.00 0.00 175.55 173.91 1vwi s ASP 61 N -2.53 6.18 -0.42 -0.18 3.68 -0.13 -4.70 116.67 118.58 1vwi s ASP 61 Ca 0.07 -1.20 -0.28 0.00 2.13 0.00 0.00 52.55 53.28 1vwi s ASP 61 Cb -0.03 -2.23 -0.03 0.00 -1.45 0.00 0.00 42.92 39.19 1vwi s ASP 61 CO 0.01 -0.77 1.91 -0.55 0.13 0.00 0.00 175.17 175.89 1vwi s SER 62 N 2.73 5.53 -0.26 -0.34 0.15 -1.26 -4.50 113.70 115.75 1vwi s SER 62 Ca 0.09 1.04 -0.09 0.00 0.70 0.00 0.00 55.95 57.68 1vwi s SER 62 Cb -0.23 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.52 1vwi s SER 62 CO 0.08 -2.05 0.13 0.00 1.20 0.00 0.00 173.24 172.61 1vwi s ALA 63 N 8.19 3.40 -0.62 5.45 0.00 -1.26 -4.98 121.76 131.94 1vwi s ALA 63 Ca 0.79 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 1vwi s ALA 63 Cb -0.20 -2.27 -0.16 0.00 0.00 0.00 0.00 23.12 20.50 1vwi s ALA 63 CO 0.29 -0.42 1.76 -0.35 0.00 0.00 0.00 175.76 177.04 1vwi n PRO 64 N 4.77 0.11 -3.11 0.00 -0.04 -1.26 -4.80 135.00 130.68 1vwi n PRO 64 Ca -0.15 -0.57 -0.26 0.00 -0.04 0.00 0.00 63.50 62.47 1vwi n PRO 64 Cb 0.52 -2.18 -0.05 0.00 -0.04 0.00 0.00 33.50 31.74 1vwi n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vwi n ALA 65 N 10.96 4.30 -1.05 0.55 0.00 -1.26 -4.92 120.51 129.10 1vwi n ALA 65 Ca 0.33 -4.63 -0.14 0.00 0.00 0.00 0.00 53.44 49.00 1vwi n ALA 65 Cb 0.40 -0.80 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 1vwi n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vwi n THR 66 N 0.16 3.01 -0.05 0.00 -2.24 -1.26 -3.44 114.28 110.46 1vwi n THR 66 Ca 0.30 -1.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.42 1vwi n THR 66 Cb 0.41 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 1vwi n THR 66 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1vwi n ASP 67 N 2.24 0.18 0.00 3.42 8.00 -1.26 -4.95 116.55 124.18 1vwi n ASP 67 Ca 0.42 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1vwi n ASP 67 Cb 0.86 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 1vwi n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vwi n GLY 68 N 0.59 0.40 3.94 0.44 0.00 -1.22 -5.01 105.19 104.32 1vwi n GLY 68 Ca 0.00 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 1vwi n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vwi s SER 69 N -2.98 6.33 0.64 1.61 0.01 -1.26 -5.08 113.70 112.97 1vwi s SER 69 Ca 0.00 0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.59 1vwi s SER 69 Cb 0.00 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.27 1vwi s SER 69 CO 0.00 -0.19 0.94 -0.83 0.41 0.00 0.00 173.24 173.57 1vwi s GLY 70 N -3.80 1.67 -0.23 3.44 0.00 -1.26 -4.93 107.32 102.20 1vwi s GLY 70 Ca 0.39 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 44.12 1vwi s GLY 70 CO 0.33 -0.53 0.19 -1.59 0.00 0.00 0.00 173.10 171.50 1vwi s THR 71 N -3.10 5.34 0.36 0.90 2.01 -0.06 -4.85 115.64 116.24 1vwi s THR 71 Ca 0.57 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.58 1vwi s THR 71 Cb -0.11 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.77 1vwi s THR 71 CO 0.44 0.34 0.95 0.00 -0.69 0.00 0.00 174.62 175.66 1vwi s ALA 72 N 1.05 3.15 0.29 7.40 0.00 -1.26 -0.60 121.76 131.79 1vwi s ALA 72 Ca 0.09 0.50 -0.21 0.00 0.00 0.00 0.00 51.96 52.34 1vwi s ALA 72 Cb -0.14 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.83 1vwi s ALA 72 CO 0.05 0.14 0.75 -0.48 0.00 0.00 0.00 175.76 176.22 1vwi s LEU 73 N -2.41 -0.22 0.03 0.00 0.05 -0.75 -0.95 118.68 114.43 1vwi s LEU 73 Ca 0.54 -0.67 -0.27 0.00 0.05 0.00 0.00 54.13 53.77 1vwi s LEU 73 Cb -0.16 2.71 0.09 0.00 -2.05 0.00 0.00 46.19 46.78 1vwi s LEU 73 CO 0.21 -1.37 0.82 -0.83 -0.55 0.00 0.00 176.35 174.63 1vwi s GLY 74 N -2.95 -0.50 0.21 -3.48 0.00 -0.76 -1.38 107.32 98.46 1vwi s GLY 74 Ca 0.12 0.93 -0.21 0.00 0.00 0.00 0.00 44.72 45.56 1vwi s GLY 74 CO 0.07 0.33 0.61 0.66 0.00 0.00 0.00 173.10 174.77 1vwi s TRP 75 N -3.17 -0.30 0.04 1.90 -2.14 -0.83 -1.61 118.94 112.84 1vwi s TRP 75 Ca 0.03 -0.03 0.05 0.00 2.66 0.00 0.00 56.10 58.81 1vwi s TRP 75 Cb -0.01 0.55 -0.02 0.00 -3.10 0.00 0.00 33.47 30.88 1vwi s TRP 75 CO -0.09 -0.98 -0.13 0.99 -2.66 0.00 0.00 176.95 174.07 1vwi s THR 76 N -3.84 1.06 -0.04 0.66 2.01 -0.25 -1.04 115.64 114.19 1vwi s THR 76 Ca 0.07 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1vwi s THR 76 Cb -0.02 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.54 1vwi s THR 76 CO -0.04 -0.04 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.14 1vwi s VAL 77 N -0.92 0.33 -0.18 3.82 1.01 -0.56 -2.72 120.40 121.18 1vwi s VAL 77 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1vwi s VAL 77 Cb -0.08 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1vwi s VAL 77 CO 0.01 0.19 0.08 0.00 0.00 0.00 0.00 175.10 175.38 1vwi s ALA 78 N 1.16 3.48 -1.53 5.51 0.00 -1.26 -0.86 121.76 128.26 1vwi s ALA 78 Ca -0.08 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 1vwi s ALA 78 Cb -0.14 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1vwi s ALA 78 CO -0.02 0.22 2.67 0.91 0.00 0.00 0.00 175.76 179.54 1vwi n TRP 79 N 3.39 2.68 -3.79 0.00 7.02 -0.14 -4.77 117.44 121.83 1vwi n TRP 79 Ca -0.17 -3.01 -0.13 0.00 -1.02 0.00 0.00 57.50 53.17 1vwi n TRP 79 Cb 0.52 -2.36 -0.14 0.00 -2.42 0.00 0.00 31.31 26.91 1vwi n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1vwi s LYS 80 N 1.66 0.10 0.00 -0.99 2.20 -1.26 -0.19 119.74 121.25 1vwi s LYS 80 Ca 0.61 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 1vwi s LYS 80 Cb 0.17 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1vwi s LYS 80 CO -0.07 -0.10 0.00 0.27 -0.36 0.00 0.00 175.35 175.10 1vwi n ASN 81 N 3.65 0.00 0.00 1.43 0.23 0.26 -4.80 115.26 116.03 1vwi n ASN 81 Ca -0.20 -0.62 0.12 0.00 -0.53 0.00 0.00 54.58 53.34 1vwi n ASN 81 Cb 0.55 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.80 1vwi n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1vwi n ASN 82 N -1.26 0.00 -0.06 0.53 5.03 -1.26 -3.77 115.26 114.47 1vwi n ASN 82 Ca 0.00 0.27 -0.07 0.00 0.87 0.00 0.00 54.58 55.65 1vwi n ASN 82 Cb 0.00 -0.41 -0.08 0.00 -1.02 0.00 0.00 39.78 38.27 1vwi n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1vwi n TYR 83 N -1.41 0.00 -4.14 3.10 4.01 -1.26 -5.05 117.16 112.40 1vwi n TYR 83 Ca 0.08 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.71 1vwi n TYR 83 Cb 0.25 -0.54 -0.10 0.00 -0.31 0.00 0.00 39.34 38.63 1vwi n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1vwi s ARG 84 N -2.27 0.75 -0.25 -0.72 1.81 -1.25 -5.13 118.95 111.90 1vwi s ARG 84 Ca -0.11 -1.18 -0.04 0.00 -1.72 0.00 0.00 55.73 52.68 1vwi s ARG 84 Cb 0.04 -0.22 0.10 0.00 -0.45 0.00 0.00 34.95 34.41 1vwi s ARG 84 CO 0.39 -0.00 0.16 1.21 -0.68 0.00 0.00 175.30 176.39 1vwi s ASN 85 N -2.66 2.61 0.00 0.23 3.84 -1.26 -0.57 114.94 117.13 1vwi s ASN 85 Ca 0.06 -0.88 0.22 0.00 0.21 0.00 0.00 52.86 52.48 1vwi s ASN 85 Cb 0.01 -0.07 0.55 0.00 -0.55 0.00 0.00 41.25 41.20 1vwi s ASN 85 CO -0.03 -0.39 1.46 0.00 -2.79 0.00 0.00 177.10 175.34 1vwi n ALA 86 N 5.28 2.47 -3.97 1.71 0.00 0.73 -4.96 120.51 121.77 1vwi n ALA 86 Ca -0.05 -0.77 -0.28 0.00 0.00 0.00 0.00 53.44 52.34 1vwi n ALA 86 Cb 0.46 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 1vwi n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vwi n HIS 87 N 0.98 -1.79 -3.86 0.00 8.25 -1.26 -4.88 115.22 112.67 1vwi n HIS 87 Ca 0.18 0.79 -0.09 0.00 -0.26 0.00 0.00 57.72 58.33 1vwi n HIS 87 Cb 0.49 -3.70 -0.05 0.00 1.12 0.00 0.00 29.99 27.84 1vwi n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1vwi s SER 88 N -4.02 -0.11 -0.02 0.41 1.04 -1.26 -1.38 113.70 108.36 1vwi s SER 88 Ca 0.24 -0.69 -0.09 0.00 0.48 0.00 0.00 55.95 55.89 1vwi s SER 88 Cb -0.12 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1vwi s SER 88 CO 0.88 -0.99 0.19 0.00 0.98 0.00 0.00 173.24 174.30 1vwi s ALA 89 N -3.93 -0.46 0.05 5.32 0.00 -0.52 -0.97 121.76 121.26 1vwi s ALA 89 Ca 0.14 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.29 1vwi s ALA 89 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1vwi s ALA 89 CO -0.01 -0.19 -0.22 0.99 0.00 0.00 0.00 175.76 176.33 1vwi s THR 90 N -1.03 1.77 -0.04 0.00 2.01 -0.04 -1.13 115.64 117.19 1vwi s THR 90 Ca -0.11 -1.25 0.04 0.00 0.31 0.00 0.00 61.69 60.68 1vwi s THR 90 Cb -0.06 -1.54 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 1vwi s THR 90 CO 0.02 0.24 -0.15 0.42 -0.69 0.00 0.00 174.62 174.46 1vwi s THR 91 N -0.81 1.22 -0.09 -0.82 -4.23 -0.61 -1.50 115.64 108.80 1vwi s THR 91 Ca 0.08 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 60.01 1vwi s THR 91 Cb -0.09 -1.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.68 1vwi s THR 91 CO 0.02 0.36 -0.14 0.26 -0.54 0.00 0.00 174.62 174.58 1vwi s TRP 92 N 0.05 2.75 -0.06 3.99 0.51 -0.21 -1.78 118.94 124.19 1vwi s TRP 92 Ca -0.03 -0.42 0.04 0.00 -2.12 0.00 0.00 56.10 53.57 1vwi s TRP 92 Cb -0.10 -1.73 0.00 0.00 -0.81 0.00 0.00 33.47 30.82 1vwi s TRP 92 CO 0.01 -0.02 -0.18 0.45 -0.51 0.00 0.00 176.95 176.70 1vwi s SER 93 N -0.18 2.38 0.00 2.95 0.15 -0.51 -1.97 113.70 116.52 1vwi s SER 93 Ca -0.00 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1vwi s SER 93 Cb -0.13 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1vwi s SER 93 CO 0.03 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1vwi n GLY 94 N 3.34 1.53 3.04 9.45 0.00 -0.48 -1.63 105.19 120.44 1vwi n GLY 94 Ca -0.19 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 1vwi n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vwi s GLN 95 N 1.01 0.54 -0.16 1.61 -0.21 -0.65 -1.80 119.66 120.00 1vwi s GLN 95 Ca 0.00 -0.58 -0.08 0.00 0.02 0.00 0.00 55.36 54.72 1vwi s GLN 95 Cb 0.00 -0.40 -0.04 0.00 1.00 0.00 0.00 33.01 33.57 1vwi s GLN 95 CO 0.00 0.09 0.12 -0.47 -2.12 0.00 0.00 175.29 172.91 1vwi s TYR 96 N -0.93 3.46 -0.17 0.91 5.04 0.23 -1.23 117.35 124.66 1vwi s TYR 96 Ca -0.05 0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 54.96 1vwi s TYR 96 Cb -0.07 -2.04 0.04 0.00 0.35 0.00 0.00 41.96 40.24 1vwi s TYR 96 CO 0.00 0.47 -0.07 0.08 -1.34 0.00 0.00 175.55 174.69 1vwi s VAL 97 N -0.28 1.26 0.78 3.14 1.01 0.07 -0.88 120.40 125.50 1vwi s VAL 97 Ca 0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1vwi s VAL 97 Cb -0.12 -1.38 0.16 0.00 0.00 0.00 0.00 36.38 35.04 1vwi s VAL 97 CO 0.01 0.18 1.07 0.61 0.00 0.00 0.00 175.10 176.97 1vwi n GLY 98 N 4.83 0.30 0.00 4.51 0.00 -1.26 -0.87 105.19 112.69 1vwi n GLY 98 Ca -0.13 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1vwi n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vwi n GLY 99 N -2.98 0.69 0.19 -0.02 0.00 -1.26 -4.72 105.19 97.08 1vwi n GLY 99 Ca 0.17 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 1vwi n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vwi h ALA 100 N 0.00 0.61 -3.07 4.61 0.00 -2.06 -3.33 119.26 116.02 1vwi h ALA 100 Ca 0.00 -0.58 -0.72 0.00 0.00 0.00 0.00 54.91 53.61 1vwi h ALA 100 Cb 0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 17.40 1vwi h ALA 100 CO 0.00 0.74 -0.25 -1.21 0.00 0.00 0.00 179.25 178.53 1vwi s GLU 101 N -3.72 2.83 0.27 0.00 2.02 -1.26 -5.05 118.70 113.79 1vwi s GLU 101 Ca -0.06 -2.50 -0.18 0.00 0.02 0.00 0.00 54.97 52.24 1vwi s GLU 101 Cb 0.11 -3.92 -0.09 0.00 0.10 0.00 0.00 34.13 30.33 1vwi s GLU 101 CO 0.84 -1.20 0.75 0.00 0.02 0.00 0.00 175.26 175.67 1vwi s ALA 102 N 0.02 3.35 0.04 5.21 0.00 -1.25 -4.84 121.76 124.29 1vwi s ALA 102 Ca 0.17 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 1vwi s ALA 102 Cb -0.18 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 1vwi s ALA 102 CO -0.05 0.31 0.01 1.03 0.00 0.00 0.00 175.76 177.06 1vwi s ARG 103 N -2.40 0.55 -0.17 0.00 1.81 -0.05 -3.46 118.95 115.23 1vwi s ARG 103 Ca 0.48 -0.98 0.00 0.00 -1.72 0.00 0.00 55.73 53.51 1vwi s ARG 103 Cb -0.14 0.20 0.04 0.00 -0.45 0.00 0.00 34.95 34.59 1vwi s ARG 103 CO 0.19 -0.11 -0.09 0.42 -0.68 0.00 0.00 175.30 175.03 1vwi s ILE 104 N -3.13 1.38 -0.22 1.52 1.01 -0.78 -0.75 121.20 120.24 1vwi s ILE 104 Ca -0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1vwi s ILE 104 Cb 0.02 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1vwi s ILE 104 CO -0.07 0.23 0.10 0.20 0.00 0.00 0.00 174.94 175.40 1vwi s ASN 105 N 1.53 5.70 0.26 3.58 0.01 -0.36 -1.01 114.94 124.65 1vwi s ASN 105 Ca 0.01 0.03 0.02 0.00 -0.71 0.00 0.00 52.86 52.21 1vwi s ASN 105 Cb -0.15 -2.01 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 1vwi s ASN 105 CO -0.08 0.09 0.06 0.42 -1.51 0.00 0.00 177.10 176.07 1vwi s THR 106 N 0.91 0.79 -0.02 1.60 -4.23 -0.24 -1.63 115.64 112.83 1vwi s THR 106 Ca 0.05 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1vwi s THR 106 Cb -0.13 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 1vwi s THR 106 CO 0.03 -0.11 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.78 1vwi s GLN 107 N -3.96 1.08 0.16 3.99 -0.21 -0.65 -2.23 119.66 117.85 1vwi s GLN 107 Ca 0.34 -0.43 0.04 0.00 0.02 0.00 0.00 55.36 55.34 1vwi s GLN 107 Cb 0.07 -1.02 -0.05 0.00 1.00 0.00 0.00 33.01 33.02 1vwi s GLN 107 CO 0.12 0.23 -0.09 1.67 -2.12 0.00 0.00 175.29 175.10 1vwi s TRP 108 N -0.13 1.33 -0.08 0.91 1.48 0.26 -1.42 118.94 121.29 1vwi s TRP 108 Ca 0.02 -0.78 0.02 0.00 -1.06 0.00 0.00 56.10 54.30 1vwi s TRP 108 Cb -0.06 -0.69 0.01 0.00 -1.16 0.00 0.00 33.47 31.57 1vwi s TRP 108 CO 0.00 0.07 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.32 1vwi s LEU 109 N -3.20 1.62 -0.23 -4.66 1.43 -0.74 -2.21 118.68 110.69 1vwi s LEU 109 Ca 0.19 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1vwi s LEU 109 Cb 0.03 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.39 1vwi s LEU 109 CO 0.02 0.02 -0.13 -0.22 0.23 0.00 0.00 176.35 176.27 1vwi s LEU 110 N 0.85 2.93 -0.14 1.79 0.20 0.10 -1.57 118.68 122.84 1vwi s LEU 110 Ca -0.11 -1.01 -0.03 0.00 0.69 0.00 0.00 54.13 53.67 1vwi s LEU 110 Cb -0.15 -1.55 -0.03 0.00 -0.43 0.00 0.00 46.19 44.02 1vwi s LEU 110 CO 0.01 -0.11 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.04 1vwi s THR 111 N 1.22 3.95 0.10 3.68 2.01 -0.28 -0.59 115.64 125.73 1vwi s THR 111 Ca -0.02 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.68 1vwi s THR 111 Cb -0.17 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1vwi s THR 111 CO -0.08 0.52 0.03 -0.44 -0.69 0.00 0.00 174.62 173.96 1vwi s SER 112 N 0.07 5.14 -0.07 3.53 0.01 -0.37 -1.43 113.70 120.58 1vwi s SER 112 Ca 0.00 -0.16 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 1vwi s SER 112 Cb -0.13 -1.25 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 1vwi s SER 112 CO 0.03 0.16 1.09 -0.83 0.41 0.00 0.00 173.24 174.09 1vwi s GLY 113 N -2.47 2.31 0.41 3.44 0.00 -0.48 -4.85 107.32 105.69 1vwi s GLY 113 Ca 0.27 0.51 0.03 0.00 0.00 0.00 0.00 44.72 45.53 1vwi s GLY 113 CO 0.20 2.01 0.11 -0.51 0.00 0.00 0.00 173.10 174.91 1vwi s THR 114 N 1.94 0.73 0.69 0.90 -4.23 -1.26 -5.02 115.64 109.38 1vwi s THR 114 Ca 0.52 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 1vwi s THR 114 Cb -0.22 -2.37 0.08 0.00 1.34 0.00 0.00 72.50 71.33 1vwi s THR 114 CO 0.21 0.00 0.97 0.42 -0.54 0.00 0.00 174.62 175.68 1vwi s THR 115 N -3.18 2.32 0.24 3.99 -4.23 -1.26 -4.90 115.64 108.63 1vwi s THR 115 Ca 0.23 -0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 60.25 1vwi s THR 115 Cb 0.03 -2.87 0.22 0.00 1.34 0.00 0.00 72.50 71.22 1vwi s THR 115 CO 0.13 0.00 1.72 1.05 -0.54 0.00 0.00 174.62 176.99 1vwi h GLU 116 N -0.48 0.40 0.00 3.99 -0.00 -2.01 -2.35 114.58 114.14 1vwi h GLU 116 Ca -0.41 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.36 58.89 1vwi h GLU 116 Cb 1.29 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.94 1vwi h GLU 116 CO 0.50 0.27 -0.17 0.00 -0.00 0.00 0.00 179.01 179.61 1vwi h ALA 117 N 1.56 1.48 -0.36 1.06 0.00 -2.06 -3.02 119.26 117.92 1vwi h ALA 117 Ca 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1vwi h ALA 117 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1vwi h ALA 117 CO -0.42 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.13 1vwi n ASN 118 N -3.99 3.32 -0.14 0.00 3.02 -0.91 -4.51 115.26 112.04 1vwi n ASN 118 Ca -0.02 -2.28 0.13 0.00 -0.03 0.00 0.00 54.58 52.38 1vwi n ASN 118 Cb 0.25 -0.34 0.48 0.00 -0.61 0.00 0.00 39.78 39.56 1vwi n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vwi h ALA 119 N 2.17 2.02 -0.81 5.41 0.00 -1.37 -0.85 119.26 125.83 1vwi h ALA 119 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1vwi h ALA 119 Cb 0.96 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1vwi h ALA 119 CO 0.07 -0.19 0.53 0.11 0.00 0.00 0.00 179.25 179.77 1vwi h TRP 120 N 0.47 0.63 -0.89 0.00 5.08 -1.82 -2.41 115.95 117.00 1vwi h TRP 120 Ca 0.34 0.02 -0.61 0.00 1.08 0.00 0.00 58.89 59.72 1vwi h TRP 120 Cb 0.67 -0.20 -0.37 0.00 -3.00 0.00 0.00 29.16 26.26 1vwi h TRP 120 CO -0.00 0.24 -0.10 0.36 -1.28 0.00 0.00 178.44 177.66 1vwi n LYS 121 N -4.51 3.23 0.06 0.12 2.85 -0.33 -4.68 118.16 114.90 1vwi n LYS 121 Ca 0.15 -3.81 0.12 0.00 -1.05 0.00 0.00 58.31 53.72 1vwi n LYS 121 Cb 0.49 -2.28 0.11 0.00 -0.65 0.00 0.00 35.03 32.70 1vwi n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1vwi n SER 122 N -0.79 0.69 -4.30 -5.58 3.41 -0.91 -4.89 113.62 101.25 1vwi n SER 122 Ca 0.52 0.06 -0.33 0.00 -0.26 0.00 0.00 58.87 58.85 1vwi n SER 122 Cb 0.82 0.38 -0.15 0.00 -0.26 0.00 0.00 64.21 65.00 1vwi n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1vwi s THR 123 N -3.20 2.84 0.10 6.66 2.01 -1.26 -1.23 115.64 121.56 1vwi s THR 123 Ca 0.05 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.36 1vwi s THR 123 Cb 0.13 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1vwi s THR 123 CO 0.75 0.51 0.13 -0.76 -0.69 0.00 0.00 174.62 174.56 1vwi s LEU 124 N 0.76 3.95 0.04 4.42 1.43 0.24 -4.91 118.68 124.61 1vwi s LEU 124 Ca -0.05 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1vwi s LEU 124 Cb -0.15 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 1vwi s LEU 124 CO 0.01 0.14 -0.11 0.54 0.23 0.00 0.00 176.35 177.15 1vwi s VAL 125 N -1.52 0.88 0.00 -1.59 0.11 -1.26 -0.72 120.40 116.30 1vwi s VAL 125 Ca 0.31 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1vwi s VAL 125 Cb -0.12 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1vwi s VAL 125 CO 0.24 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 1vwi n GLY 126 N 1.82 1.58 3.14 6.54 0.00 -0.94 -4.98 105.19 112.35 1vwi n GLY 126 Ca -0.19 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1vwi n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vwi s HIS 127 N -7.12 -0.12 0.02 1.61 -3.43 -1.26 -0.57 115.29 104.42 1vwi s HIS 127 Ca 0.00 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.49 1vwi s HIS 127 Cb 0.00 0.03 -0.02 0.00 -1.43 0.00 0.00 32.58 31.17 1vwi s HIS 127 CO 0.00 -0.25 -0.03 -0.51 -2.00 0.00 0.00 174.74 171.95 1vwi s ASP 128 N -0.82 0.24 -0.05 7.38 1.01 -0.94 -4.97 116.67 118.51 1vwi s ASP 128 Ca -0.09 -0.43 0.05 0.00 0.71 0.00 0.00 52.55 52.79 1vwi s ASP 128 Cb -0.05 0.08 -0.01 0.00 1.01 0.00 0.00 42.92 43.96 1vwi s ASP 128 CO 0.02 -0.25 -0.21 -0.89 0.21 0.00 0.00 175.17 174.04 1vwi s THR 129 N -1.24 1.76 -0.03 -1.27 2.01 -1.26 -1.08 115.64 114.54 1vwi s THR 129 Ca -0.13 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.00 1vwi s THR 129 Cb -0.09 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1vwi s THR 129 CO -0.01 0.50 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.94 1vwi s PHE 130 N -0.08 2.78 -0.06 4.92 0.40 -0.18 -3.84 117.98 121.92 1vwi s PHE 130 Ca -0.03 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1vwi s PHE 130 Cb -0.13 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 1vwi s PHE 130 CO 0.03 0.27 -0.13 0.99 0.70 0.00 0.00 175.22 177.08 1vwi s THR 131 N -0.84 3.18 0.11 0.64 2.01 0.12 -1.86 115.64 118.99 1vwi s THR 131 Ca 0.14 -0.68 -0.23 0.00 0.31 0.00 0.00 61.69 61.23 1vwi s THR 131 Cb -0.11 -2.26 -0.07 0.00 0.01 0.00 0.00 72.50 70.07 1vwi s THR 131 CO 0.03 0.59 0.69 -0.75 -0.69 0.00 0.00 174.62 174.49 1vwi s LYS 132 N -0.68 4.41 -0.02 4.92 2.20 -1.23 -1.35 119.74 127.99 1vwi s LYS 132 Ca 0.10 0.96 -0.00 0.00 -0.36 0.00 0.00 55.97 56.67 1vwi s LYS 132 Cb -0.11 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1vwi s LYS 132 CO 0.01 0.55 -0.02 1.55 -0.36 0.00 0.00 175.35 177.08 1vwi n VAL 133 N 1.85 0.12 -4.29 4.02 3.14 0.66 -4.94 118.33 118.89 1vwi n VAL 133 Ca -0.07 -0.04 -0.16 0.00 -2.96 0.00 0.00 64.34 61.11 1vwi n VAL 133 Cb 0.50 -0.99 -0.10 0.00 -1.06 0.00 0.00 33.84 32.18 1vwi n VAL 133 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1vwi s LYS 134 N -2.04 1.19 0.00 1.45 1.02 -1.15 -4.96 119.74 115.25 1vwi s LYS 134 Ca -0.03 -1.55 0.28 0.00 0.02 0.00 0.00 55.97 54.69 1vwi s LYS 134 Cb 0.01 -0.66 0.98 0.00 -0.52 0.00 0.00 37.83 37.64 1vwi s LYS 134 CO 0.05 0.02 1.71 -0.35 -0.92 0.00 0.00 175.35 175.85