#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3p n VAL 2 N 0.00 -0.03 -3.52 0.00 0.31 -1.26 -4.95 118.33 108.88 1x3p n VAL 2 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1x3p n VAL 2 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1x3p n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x3p s ALA 3 N -3.14 3.56 0.00 3.52 0.00 -1.26 -4.93 121.76 119.51 1x3p s ALA 3 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1x3p s ALA 3 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1x3p s ALA 3 CO 0.00 -0.47 0.00 0.39 0.00 0.00 0.00 175.76 175.68 1x3p n GLU 4 N 4.90 0.00 -4.77 0.00 -0.58 -1.26 -5.07 120.64 113.86 1x3p n GLU 4 Ca -0.12 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.30 1x3p n GLU 4 Cb 0.51 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.26 1x3p n GLU 4 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x3p s SER 5 N -0.98 3.99 -0.35 1.62 0.15 -1.26 -4.84 113.70 112.03 1x3p s SER 5 Ca 0.00 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.40 1x3p s SER 5 Cb 0.00 -0.78 0.16 0.00 -1.71 0.00 0.00 66.02 63.69 1x3p s SER 5 CO 0.00 0.31 0.41 0.68 1.20 0.00 0.00 173.24 175.84 1x3p s VAL 6 N -0.83 -0.49 -0.47 4.45 -7.23 -1.23 -3.20 120.40 111.40 1x3p s VAL 6 Ca 0.13 -0.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.69 1x3p s VAL 6 Cb -0.11 -0.68 0.21 0.00 0.56 0.00 0.00 36.38 36.37 1x3p s VAL 6 CO 0.03 -0.44 0.66 0.00 -0.31 0.00 0.00 175.10 175.05 1x3p n ILE 7 N 4.59 -0.36 -3.62 -0.62 0.13 -1.26 -4.95 119.36 113.26 1x3p n ILE 7 Ca 0.08 -2.11 -0.24 0.00 -1.10 0.00 0.00 62.75 59.38 1x3p n ILE 7 Cb 0.48 0.13 -0.17 0.00 -0.84 0.00 0.00 39.64 39.24 1x3p n ILE 7 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 1x3p s GLY 8 N -0.34 0.29 0.10 4.50 0.00 -0.48 -4.80 107.32 106.58 1x3p s GLY 8 Ca 0.32 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.96 1x3p s GLY 8 CO -0.15 1.65 -0.08 0.54 0.00 0.00 0.00 173.10 175.06 1x3p s LYS 9 N 2.16 0.84 0.00 2.90 3.01 -1.26 -0.31 119.74 127.08 1x3p s LYS 9 Ca 0.03 -1.25 0.28 0.00 -1.01 0.00 0.00 55.97 54.02 1x3p s LYS 9 Cb -0.15 -0.34 1.21 0.00 -1.01 0.00 0.00 37.83 37.54 1x3p s LYS 9 CO -0.07 0.02 1.83 0.54 0.51 0.00 0.00 175.35 178.18 1x3p n ARG 10 N 0.22 1.51 0.00 1.68 3.00 0.15 -4.88 116.66 118.33 1x3p n ARG 10 Ca -0.14 -0.74 0.00 0.00 -0.01 0.00 0.00 57.85 56.96 1x3p n ARG 10 Cb 0.59 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.58 1x3p n ARG 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1x3p n VAL 11 N -0.10 0.00 -2.49 1.55 0.31 -1.26 -4.73 118.33 111.61 1x3p n VAL 11 Ca 0.20 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.30 1x3p n VAL 11 Cb 0.29 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.29 1x3p n VAL 11 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1x3p s GLY 12 N 0.00 1.77 -0.45 2.92 0.00 -1.26 -4.95 107.32 105.36 1x3p s GLY 12 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1x3p s GLY 12 CO 0.00 -0.92 1.91 2.09 0.00 0.00 0.00 173.10 176.18 1x3p n ASP 13 N -2.66 5.91 0.00 1.64 5.75 -1.26 -4.26 116.55 121.68 1x3p n ASP 13 Ca 0.10 -3.37 0.00 0.00 -0.01 0.00 0.00 54.79 51.51 1x3p n ASP 13 Cb 0.60 -0.93 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1x3p n ASP 13 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1x3p n ASP 14 N -0.47 0.00 -0.83 -1.12 2.03 -1.26 -4.96 116.55 109.95 1x3p n ASP 14 Ca 0.47 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.77 1x3p n ASP 14 Cb 0.88 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.27 1x3p n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x3p n GLY 15 N 3.11 0.75 2.34 0.27 0.00 -1.26 -4.93 105.19 105.47 1x3p n GLY 15 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 1x3p n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3p n LYS 16 N 0.10 1.00 -2.29 1.61 5.02 -1.26 -5.12 118.16 117.21 1x3p n LYS 16 Ca -0.06 -3.09 -0.26 0.00 -2.02 0.00 0.00 58.31 52.89 1x3p n LYS 16 Cb 0.73 -1.51 0.11 0.00 -0.02 0.00 0.00 35.03 34.34 1x3p n LYS 16 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1x3p s THR 17 N -1.97 2.17 0.00 -0.18 -1.32 -1.26 -4.23 115.64 108.85 1x3p s THR 17 Ca 0.35 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1x3p s THR 17 Cb 0.35 -2.83 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 1x3p s THR 17 CO -0.06 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 171.97 1x3p n ILE 18 N -3.09 0.00 -3.70 5.08 2.08 -1.26 -4.90 119.36 113.57 1x3p n ILE 18 Ca 0.13 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.33 1x3p n ILE 18 Cb 0.60 -0.10 -0.05 0.00 -0.75 0.00 0.00 39.64 39.35 1x3p n ILE 18 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1x3p s GLU 19 N -1.30 1.08 0.11 0.38 0.41 -1.26 -4.88 118.70 113.24 1x3p s GLU 19 Ca 0.00 -0.79 -0.19 0.00 -0.41 0.00 0.00 54.97 53.58 1x3p s GLU 19 Cb 0.00 0.45 -0.07 0.00 -1.78 0.00 0.00 34.13 32.73 1x3p s GLU 19 CO 0.00 -0.41 0.60 1.52 -0.49 0.00 0.00 175.26 176.47 1x3p s TYR 20 N -3.83 3.76 -0.24 1.61 -0.85 -1.26 -0.68 117.35 115.86 1x3p s TYR 20 Ca 0.05 1.27 -0.05 0.00 -0.52 0.00 0.00 57.07 57.83 1x3p s TYR 20 Cb 0.02 -2.51 0.12 0.00 0.38 0.00 0.00 41.96 39.98 1x3p s TYR 20 CO -0.10 0.53 0.44 -0.51 -1.52 0.00 0.00 175.55 174.38 1x3p s LEU 21 N -1.37 -0.76 -0.41 -3.49 1.43 0.57 -4.56 118.68 110.09 1x3p s LEU 21 Ca 0.33 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.02 1x3p s LEU 21 Cb -0.19 1.42 0.05 0.00 0.03 0.00 0.00 46.19 47.50 1x3p s LEU 21 CO 0.20 -0.26 0.26 -0.69 0.23 0.00 0.00 176.35 176.09 1x3p s VAL 22 N 2.64 4.70 -0.37 -1.59 1.01 -1.07 -1.39 120.40 124.34 1x3p s VAL 22 Ca 0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1x3p s VAL 22 Cb -0.14 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.61 1x3p s VAL 22 CO -0.15 -0.36 0.13 -0.54 0.00 0.00 0.00 175.10 174.18 1x3p s LYS 23 N 1.56 2.30 0.34 2.72 3.01 -1.26 0.03 119.74 128.43 1x3p s LYS 23 Ca 0.03 -1.51 -0.05 0.00 -1.01 0.00 0.00 55.97 53.42 1x3p s LYS 23 Cb -0.21 -3.46 0.08 0.00 -1.01 0.00 0.00 37.83 33.23 1x3p s LYS 23 CO 0.06 -0.86 0.19 0.91 0.51 0.00 0.00 175.35 176.17 1x3p n TRP 24 N 4.67 -2.18 -0.64 3.18 5.03 -1.20 -3.55 117.44 122.75 1x3p n TRP 24 Ca -0.08 -0.16 -0.17 0.00 3.03 0.00 0.00 57.50 60.13 1x3p n TRP 24 Cb 0.43 -0.32 0.07 0.00 -1.03 0.00 0.00 31.31 30.45 1x3p n TRP 24 CO 0.00 0.00 0.00 -2.37 -0.03 0.00 0.00 177.69 175.29 1x3p n THR 25 N -3.53 2.60 -1.51 -0.99 5.66 -1.26 -3.68 114.28 111.58 1x3p n THR 25 Ca 0.03 -1.50 0.00 0.00 -3.05 0.00 0.00 64.05 59.53 1x3p n THR 25 Cb 0.13 -1.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 1x3p n THR 25 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1x3p n ASP 26 N -0.06 0.00 -3.52 1.09 5.75 -1.26 -4.97 116.55 113.58 1x3p n ASP 26 Ca 0.34 -1.35 -0.16 0.00 -0.01 0.00 0.00 54.79 53.61 1x3p n ASP 26 Cb 0.82 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 1x3p n ASP 26 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1x3p n MET 27 N 0.00 -1.43 0.00 0.11 0.00 -1.24 -4.93 117.12 109.63 1x3p n MET 27 Ca 0.00 1.01 0.00 0.00 -0.00 0.00 0.00 57.70 58.71 1x3p n MET 27 Cb 0.57 -3.68 0.00 0.00 0.00 0.00 0.00 33.22 30.11 1x3p n MET 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1x3p n SER 28 N -2.31 0.19 -2.98 6.12 3.41 -1.26 -5.06 113.62 111.73 1x3p n SER 28 Ca -0.19 -1.01 -0.01 0.00 -0.26 0.00 0.00 58.87 57.40 1x3p n SER 28 Cb 0.62 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 1x3p n SER 28 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1x3p n ASP 29 N -0.00 -6.21 0.00 4.04 -0.08 -1.26 -5.00 116.55 108.04 1x3p n ASP 29 Ca 0.00 0.91 0.00 0.00 -1.51 0.00 0.00 54.79 54.19 1x3p n ASP 29 Cb 0.22 -2.85 0.00 0.00 2.34 0.00 0.00 41.12 40.83 1x3p n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x3p n ALA 30 N 1.61 0.00 -1.48 -1.67 0.00 0.10 -5.00 120.51 114.07 1x3p n ALA 30 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1x3p n ALA 30 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1x3p n ALA 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1x3p n THR 31 N 0.00 0.00 -3.69 0.00 -1.04 -1.25 -4.84 114.28 103.46 1x3p n THR 31 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1x3p n THR 31 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 1x3p n THR 31 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1x3p s TRP 32 N 1.57 -0.30 0.00 -1.42 0.52 -1.26 -2.59 118.94 115.47 1x3p s TRP 32 Ca 0.00 0.44 0.00 0.00 0.02 0.00 0.00 56.10 56.56 1x3p s TRP 32 Cb 0.00 0.18 0.00 0.00 -1.15 0.00 0.00 33.47 32.50 1x3p s TRP 32 CO 0.00 -0.47 0.00 0.39 0.02 0.00 0.00 176.95 176.89 1x3p n GLU 33 N 1.06 0.00 0.00 4.98 1.02 -1.22 -4.50 120.64 121.98 1x3p n GLU 33 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1x3p n GLU 33 Cb 0.57 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1x3p n GLU 33 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1x3p n PRO 34 N -0.50 0.00 -0.36 3.49 -0.02 -1.25 -1.34 135.00 135.03 1x3p n PRO 34 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 1x3p n PRO 34 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1x3p n PRO 34 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1x3p n GLN 35 N 0.00 0.78 -2.96 -0.52 -0.06 -1.26 -4.29 117.38 109.07 1x3p n GLN 35 Ca 0.00 -0.46 -0.12 0.00 -2.00 0.00 0.00 57.00 54.42 1x3p n GLN 35 Cb 0.00 -1.77 -0.02 0.00 -4.06 0.00 0.00 30.24 24.39 1x3p n GLN 35 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1x3p n ASP 36 N 3.10 -2.47 -1.63 1.69 9.92 -0.45 -4.92 116.55 121.79 1x3p n ASP 36 Ca 0.17 -2.77 -0.11 0.00 -0.53 0.00 0.00 54.79 51.55 1x3p n ASP 36 Cb 0.28 1.02 0.05 0.00 -0.64 0.00 0.00 41.12 41.83 1x3p n ASP 36 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1x3p n ASN 37 N 2.82 4.61 -3.29 -2.24 4.05 -1.26 -4.68 115.26 115.26 1x3p n ASN 37 Ca 0.21 -2.77 -0.28 0.00 0.45 0.00 0.00 54.58 52.20 1x3p n ASN 37 Cb 0.54 -0.83 -0.03 0.00 1.23 0.00 0.00 39.78 40.70 1x3p n ASN 37 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1x3p n VAL 38 N 0.17 2.39 -2.08 3.44 0.31 -1.26 -4.56 118.33 116.73 1x3p n VAL 38 Ca 0.24 -1.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.01 1x3p n VAL 38 Cb 0.78 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1x3p n VAL 38 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1x3p n ASP 39 N 4.93 0.00 -0.55 4.52 8.00 -1.26 -5.02 116.55 127.17 1x3p n ASP 39 Ca 0.47 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.96 1x3p n ASP 39 Cb 0.20 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 1x3p n ASP 39 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1x3p n SER 40 N 2.03 -0.14 0.03 -2.24 3.41 -1.26 -4.62 113.62 110.84 1x3p n SER 40 Ca 0.00 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1x3p n SER 40 Cb 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1x3p n SER 40 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1x3p n THR 41 N 0.00 0.58 -0.02 6.66 5.66 -1.26 -4.67 114.28 121.22 1x3p n THR 41 Ca -0.04 0.19 -0.13 0.00 -3.05 0.00 0.00 64.05 61.02 1x3p n THR 41 Cb 0.50 -1.41 -0.14 0.00 -1.55 0.00 0.00 70.33 67.73 1x3p n THR 41 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1x3p n LEU 42 N -3.24 1.49 -0.09 1.09 4.77 -1.26 -4.32 117.00 115.45 1x3p n LEU 42 Ca 0.00 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 1x3p n LEU 42 Cb 0.20 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1x3p n LEU 42 CO 0.00 0.57 -0.46 0.52 -1.33 0.00 0.00 177.39 176.69 1x3p n VAL 43 N -3.18 1.47 -0.51 4.08 0.31 -1.26 -4.10 118.33 115.14 1x3p n VAL 43 Ca -0.24 0.09 0.41 0.00 -0.01 0.00 0.00 64.34 64.59 1x3p n VAL 43 Cb 1.06 -2.22 0.66 0.00 -0.91 0.00 0.00 33.84 32.42 1x3p n VAL 43 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1x3p n LEU 44 N -4.52 0.12 0.30 7.52 -0.00 -1.26 0.17 117.00 119.32 1x3p n LEU 44 Ca -0.20 1.13 -0.12 0.00 -0.00 0.00 0.00 56.01 56.82 1x3p n LEU 44 Cb 0.47 -0.56 -0.06 0.00 -0.00 0.00 0.00 43.42 43.27 1x3p n LEU 44 CO 0.14 -1.20 0.36 -0.07 -0.00 0.00 0.00 177.39 176.62 1x3p h LEU 45 N 0.00 -0.67 -1.17 -1.96 3.38 -1.75 1.28 115.31 114.42 1x3p h LEU 45 Ca 0.82 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.81 1x3p h LEU 45 Cb 2.88 0.17 0.00 0.00 0.09 0.00 0.00 40.66 43.80 1x3p h LEU 45 CO -0.28 -0.33 0.00 1.88 0.09 0.00 0.00 178.44 179.80 1x3p h TYR 46 N -1.08 0.00 -0.01 1.13 0.05 -0.41 0.56 116.97 117.21 1x3p h TYR 46 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1x3p h TYR 46 Cb 0.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.34 1x3p h TYR 46 CO 0.02 0.00 -0.31 0.94 -1.05 0.00 0.00 178.16 177.76 1x3p n GLN 47 N -2.35 0.92 -0.07 4.88 0.00 0.44 -3.53 117.38 117.67 1x3p n GLN 47 Ca 0.00 -0.60 0.21 0.00 -0.00 0.00 0.00 57.00 56.62 1x3p n GLN 47 Cb 0.15 -1.49 0.67 0.00 0.00 0.00 0.00 30.24 29.57 1x3p n GLN 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.06 176.50 1x3p h GLN 48 N 1.46 0.07 0.25 3.69 3.07 0.72 1.39 115.11 125.76 1x3p h GLN 48 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1x3p h GLN 48 Cb 0.56 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 1x3p h GLN 48 CO 0.00 0.04 -0.17 1.96 0.09 0.00 0.00 178.83 180.75 1x3p h GLN 49 N 0.07 -0.41 -5.42 0.06 1.08 -1.67 -3.42 115.11 105.41 1x3p h GLN 49 Ca 0.31 0.03 -0.60 0.00 -1.45 0.00 0.00 58.65 56.93 1x3p h GLN 49 Cb 1.14 0.09 -0.12 0.00 -0.05 0.00 0.00 27.48 28.54 1x3p h GLN 49 CO -0.02 -0.27 -0.18 -0.65 -0.95 0.00 0.00 178.83 176.76 1x3p s GLN 50 N -6.12 4.16 -0.85 1.46 -1.52 0.48 -4.82 119.66 112.46 1x3p s GLN 50 Ca -0.15 0.22 -0.22 0.00 -1.95 0.00 0.00 55.36 53.25 1x3p s GLN 50 Cb 0.06 -3.55 -0.15 0.00 -0.22 0.00 0.00 33.01 29.15 1x3p s GLN 50 CO 0.65 -0.08 1.92 -0.35 -0.25 0.00 0.00 175.29 177.18 1x3p n PRO 51 N 4.59 1.51 -0.13 2.91 -0.04 -1.26 -4.73 135.00 137.85 1x3p n PRO 51 Ca -0.08 -1.98 0.11 0.00 -0.04 0.00 0.00 63.50 61.51 1x3p n PRO 51 Cb 0.51 -3.09 0.17 0.00 -0.04 0.00 0.00 33.50 31.05 1x3p n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x3p n MET 52 N 7.31 -0.01 0.12 0.54 0.00 -1.26 0.18 117.12 124.01 1x3p n MET 52 Ca 0.49 0.28 0.07 0.00 0.00 0.00 0.00 57.70 58.53 1x3p n MET 52 Cb 0.42 -0.58 0.36 0.00 0.00 0.00 0.00 33.22 33.41 1x3p n MET 52 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1x3p n ASN 53 N -2.86 0.34 0.00 3.17 0.23 -1.26 -4.84 115.26 110.04 1x3p n ASN 53 Ca 0.10 0.60 0.00 0.00 -0.53 0.00 0.00 54.58 54.75 1x3p n ASN 53 Cb 0.41 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 1x3p n ASN 53 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54