#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 1.47 -3.90 0.00 0.31 -1.26 -5.02 118.33 109.92 1x3p n VAL 2 Ca 0.00 -1.77 -0.35 0.00 -0.01 0.00 0.00 64.34 62.21 1x3p n VAL 2 Cb 0.00 -0.07 -0.09 0.00 -0.91 0.00 0.00 33.84 32.76 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 -2.24 3.49 0.29 3.52 0.00 -1.26 -4.77 121.76 120.80 1x3p s ALA 3 Ca 0.25 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1x3p s ALA 3 Cb 0.22 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1x3p s ALA 3 CO 0.02 0.14 0.00 -1.91 0.00 0.00 0.00 175.76 174.01 1x3p n GLU 4 N 3.60 0.00 -3.84 0.00 4.07 -1.26 -5.06 120.64 118.14 1x3p n GLU 4 Ca -0.16 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.59 1x3p n GLU 4 Cb 0.52 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.81 1x3p n GLU 4 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1x3p s SER 5 N -4.00 5.95 -0.30 4.31 1.04 -1.26 -4.96 113.70 114.49 1x3p s SER 5 Ca 0.00 0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.60 1x3p s SER 5 Cb 0.00 -2.04 0.15 0.00 0.10 0.00 0.00 66.02 64.24 1x3p s SER 5 CO 0.00 0.17 0.37 0.68 0.98 0.00 0.00 173.24 175.44 1x3p s VAL 6 N 0.39 -0.54 -0.44 5.02 -7.23 -1.26 -3.48 120.40 112.86 1x3p s VAL 6 Ca 0.06 -0.40 0.08 0.00 -1.81 0.00 0.00 61.98 59.90 1x3p s VAL 6 Cb -0.12 -0.96 0.29 0.00 0.56 0.00 0.00 36.38 36.15 1x3p s VAL 6 CO -0.01 -0.36 0.87 2.30 -0.31 0.00 0.00 175.10 177.59 1x3p n ILE 7 N 5.26 -0.16 -3.53 -0.62 -0.00 -1.26 -5.01 119.36 114.05 1x3p n ILE 7 Ca 0.00 -2.56 -0.21 0.00 -0.00 0.00 0.00 62.75 59.99 1x3p n ILE 7 Cb 0.48 0.53 -0.14 0.00 -0.00 0.00 0.00 39.64 40.51 1x3p n ILE 7 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1x3p s GLY 8 N -1.61 0.11 0.19 3.28 0.00 -0.77 -4.94 107.32 103.57 1x3p s GLY 8 Ca 0.31 0.08 -0.04 0.00 0.00 0.00 0.00 44.72 45.08 1x3p s GLY 8 CO -0.13 2.02 0.18 0.54 0.00 0.00 0.00 173.10 175.71 1x3p s LYS 9 N 2.27 1.18 0.00 2.90 1.02 -1.26 0.16 119.74 126.01 1x3p s LYS 9 Ca 0.05 -1.48 0.23 0.00 0.02 0.00 0.00 55.97 54.80 1x3p s LYS 9 Cb -0.16 0.30 0.99 0.00 -0.52 0.00 0.00 37.83 38.45 1x3p s LYS 9 CO -0.11 -0.40 1.69 0.54 -0.92 0.00 0.00 175.35 176.15 1x3p n ARG 10 N -0.24 1.51 0.00 1.68 5.12 0.21 -4.85 116.66 120.09 1x3p n ARG 10 Ca -0.01 -0.76 0.00 0.00 -1.93 0.00 0.00 57.85 55.15 1x3p n ARG 10 Cb 0.64 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 1x3p n ARG 10 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1x3p n VAL 11 N -0.04 0.00 -1.41 1.55 0.31 -1.26 -4.69 118.33 112.79 1x3p n VAL 11 Ca 0.17 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.34 1x3p n VAL 11 Cb 0.27 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.31 1x3p n VAL 11 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x3p n GLY 12 N 0.00 -1.53 3.35 2.92 0.00 -1.26 -4.96 105.19 103.71 1x3p n GLY 12 Ca 0.00 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 43.92 1x3p n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x3p n ASP 13 N -3.55 5.21 0.00 1.61 9.92 -1.26 -4.08 116.55 124.40 1x3p n ASP 13 Ca 0.09 -3.01 0.00 0.00 -0.53 0.00 0.00 54.79 51.34 1x3p n ASP 13 Cb 0.32 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.25 1x3p n ASP 13 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1x3p n ASP 14 N 5.25 -1.46 -2.58 -2.24 2.03 -1.26 -4.99 116.55 111.29 1x3p n ASP 14 Ca 0.37 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.40 1x3p n ASP 14 Cb 0.41 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 -2.19 5.93 1.27 0.27 0.00 -1.26 -4.88 105.19 104.33 1x3p n GLY 15 Ca 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 46.02 43.28 1x3p n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x3p n LYS 16 N -0.46 0.00 -2.25 1.61 4.81 -1.26 -4.48 118.16 116.13 1x3p n LYS 16 Ca 0.40 0.42 -0.25 0.00 -0.87 0.00 0.00 58.31 58.01 1x3p n LYS 16 Cb 0.59 -1.27 0.06 0.00 0.02 0.00 0.00 35.03 34.43 1x3p n LYS 16 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1x3p s THR 17 N -1.41 2.42 0.00 3.15 -1.32 -1.26 -4.40 115.64 112.81 1x3p s THR 17 Ca 0.00 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 1x3p s THR 17 Cb 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 1x3p s THR 17 CO 0.00 -0.04 0.00 -0.38 -2.21 0.00 0.00 174.62 171.99 1x3p n ILE 18 N -2.85 0.00 -3.68 5.08 2.08 -1.26 -4.94 119.36 113.79 1x3p n ILE 18 Ca 0.08 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.29 1x3p n ILE 18 Cb 0.60 -0.15 -0.05 0.00 -0.75 0.00 0.00 39.64 39.29 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 -1.42 1.08 -0.02 0.38 8.01 -1.26 -4.88 118.70 120.60 1x3p s GLU 19 Ca 0.00 -0.77 -0.11 0.00 0.01 0.00 0.00 54.97 54.10 1x3p s GLU 19 Cb 0.00 0.46 -0.05 0.00 -4.31 0.00 0.00 34.13 30.23 1x3p s GLU 19 CO 0.00 -0.42 0.32 1.52 0.01 0.00 0.00 175.26 176.69 1x3p s TYR 20 N -3.83 3.65 -0.23 1.61 1.13 -1.26 0.65 117.35 119.08 1x3p s TYR 20 Ca 0.05 0.79 -0.06 0.00 -1.41 0.00 0.00 57.07 56.44 1x3p s TYR 20 Cb 0.02 -2.14 0.11 0.00 -1.10 0.00 0.00 41.96 38.85 1x3p s TYR 20 CO -0.10 0.65 0.44 -0.51 -2.51 0.00 0.00 175.55 173.51 1x3p s LEU 21 N -1.28 -0.74 0.04 -3.49 1.43 0.42 -4.66 118.68 110.39 1x3p s LEU 21 Ca 0.23 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 1x3p s LEU 21 Cb -0.15 1.43 -0.04 0.00 0.03 0.00 0.00 46.19 47.47 1x3p s LEU 21 CO 0.12 -0.25 0.14 -0.69 0.23 0.00 0.00 176.35 175.90 1x3p s VAL 22 N 2.64 5.02 -0.42 -1.59 1.01 -1.05 -1.85 120.40 124.16 1x3p s VAL 22 Ca 0.03 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1x3p s VAL 22 Cb -0.13 -3.39 0.17 0.00 0.00 0.00 0.00 36.38 33.03 1x3p s VAL 22 CO -0.15 0.22 0.48 -0.54 0.00 0.00 0.00 175.10 175.11 1x3p s LYS 23 N -2.18 0.83 1.11 2.72 3.01 -1.26 -2.79 119.74 121.19 1x3p s LYS 23 Ca 0.29 -1.18 -0.18 0.00 -1.01 0.00 0.00 55.97 53.90 1x3p s LYS 23 Cb -0.12 -0.66 0.15 0.00 -1.01 0.00 0.00 37.83 36.18 1x3p s LYS 23 CO 0.21 -1.28 0.15 0.91 0.51 0.00 0.00 175.35 175.85 1x3p n TRP 24 N 3.58 -1.89 -0.60 3.18 5.03 -1.23 -4.32 117.44 121.20 1x3p n TRP 24 Ca 0.18 0.02 -0.10 0.00 3.03 0.00 0.00 57.50 60.63 1x3p n TRP 24 Cb 0.49 -1.48 0.19 0.00 -1.03 0.00 0.00 31.31 29.49 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 -4.53 2.48 0.04 -0.99 5.66 -1.26 -4.30 114.28 111.37 1x3p n THR 25 Ca 0.03 -1.32 0.00 0.00 -3.05 0.00 0.00 64.05 59.71 1x3p n THR 25 Cb 0.54 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 1x3p n THR 25 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1x3p n ASP 26 N -0.33 -0.29 -3.91 1.09 2.03 -1.26 -5.01 116.55 108.86 1x3p n ASP 26 Ca 0.37 0.13 -0.29 0.00 0.52 0.00 0.00 54.79 55.52 1x3p n ASP 26 Cb 1.25 0.42 -0.13 0.00 -0.72 0.00 0.00 41.12 41.93 1x3p n ASP 26 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1x3p s MET 27 N -2.00 2.01 0.51 -0.67 1.75 -1.26 -5.10 119.30 114.54 1x3p s MET 27 Ca 0.00 -2.73 -0.20 0.00 -1.25 0.00 0.00 55.69 51.51 1x3p s MET 27 Cb 0.00 -3.23 -0.09 0.00 2.84 0.00 0.00 34.83 34.35 1x3p s MET 27 CO 0.00 -1.16 0.69 -1.13 -0.65 0.00 0.00 175.02 172.77 1x3p n SER 28 N 2.88 -0.30 -2.70 1.11 3.41 -1.26 -3.88 113.62 112.88 1x3p n SER 28 Ca 0.09 0.84 -0.01 0.00 -0.26 0.00 0.00 58.87 59.54 1x3p n SER 28 Cb 0.33 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1x3p n SER 28 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x3p n ASP 29 N 0.50 -6.54 0.00 4.04 9.92 -1.21 -4.91 116.55 118.35 1x3p n ASP 29 Ca 0.11 -0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1x3p n ASP 29 Cb 0.44 -4.37 0.00 0.00 -0.64 0.00 0.00 41.12 36.55 1x3p n ASP 29 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x3p n ALA 30 N -1.46 0.00 -2.27 2.24 0.00 -1.12 -5.02 120.51 112.89 1x3p n ALA 30 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1x3p n ALA 30 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.05 0.00 -3.69 0.00 -1.04 -1.26 -4.98 114.28 102.26 1x3p n THR 31 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1x3p n THR 31 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 2.37 -0.15 0.00 -1.42 0.52 -1.26 -2.53 118.94 116.46 1x3p s TRP 32 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 56.10 56.03 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 -0.62 0.00 0.39 0.02 0.00 0.00 176.95 176.74 1x3p n GLU 33 N 0.09 0.00 -0.04 4.98 1.02 -1.23 -4.48 120.64 120.98 1x3p n GLU 33 Ca -0.17 0.02 -0.02 0.00 -0.02 0.00 0.00 57.16 56.97 1x3p n GLU 33 Cb 0.62 -0.20 0.02 0.00 -0.02 0.00 0.00 31.44 31.86 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 -1.45 -0.98 -1.76 3.49 -0.02 -1.25 -2.98 135.00 130.05 1x3p n PRO 34 Ca 0.00 -0.11 -0.01 0.00 -2.02 0.00 0.00 63.50 61.35 1x3p n PRO 34 Cb 0.00 -0.18 -0.00 0.00 -0.02 0.00 0.00 33.50 33.30 1x3p n PRO 34 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1x3p n GLN 35 N -1.57 -2.09 -3.04 -0.52 6.02 -1.26 -4.53 117.38 110.39 1x3p n GLN 35 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.85 1x3p n GLN 35 Cb 0.05 -2.63 -0.04 0.00 1.02 0.00 0.00 30.24 28.64 1x3p n GLN 35 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1x3p n ASP 36 N -0.89 -1.95 -1.96 1.08 2.03 -1.16 -4.38 116.55 109.32 1x3p n ASP 36 Ca 0.00 -2.72 -0.20 0.00 0.52 0.00 0.00 54.79 52.39 1x3p n ASP 36 Cb 0.29 0.66 0.12 0.00 -0.72 0.00 0.00 41.12 41.48 1x3p n ASP 36 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1x3p n ASN 37 N 2.65 4.22 -2.26 1.67 5.15 -1.26 -3.69 115.26 121.74 1x3p n ASN 37 Ca 0.22 -3.26 -0.26 0.00 -0.60 0.00 0.00 54.58 50.68 1x3p n ASN 37 Cb 0.53 -0.80 0.03 0.00 -0.53 0.00 0.00 39.78 39.01 1x3p n ASN 37 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1x3p n VAL 38 N -0.67 3.22 0.18 3.44 3.14 -1.26 -4.26 118.33 122.12 1x3p n VAL 38 Ca 0.46 -2.59 0.00 0.00 -2.96 0.00 0.00 64.34 59.25 1x3p n VAL 38 Cb 1.25 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 1x3p n VAL 38 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1x3p n ASP 39 N 0.03 -3.14 0.00 6.55 2.03 -1.26 -5.05 116.55 115.71 1x3p n ASP 39 Ca 0.46 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1x3p n ASP 39 Cb 0.55 3.03 0.00 0.00 -0.72 0.00 0.00 41.12 43.98 1x3p n ASP 39 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1x3p n SER 40 N -3.24 -2.84 0.00 1.67 2.88 -1.26 -4.94 113.62 105.89 1x3p n SER 40 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x3p n SER 40 Cb 0.00 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1x3p n SER 40 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1x3p n THR 41 N -2.95 0.00 0.91 2.46 -1.04 -1.26 -4.78 114.28 107.63 1x3p n THR 41 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1x3p n THR 41 Cb 0.00 -0.30 0.15 0.00 -1.82 0.00 0.00 70.33 68.36 1x3p n THR 41 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1x3p n LEU 42 N -0.62 0.62 -0.08 -4.42 4.32 -1.26 -4.12 117.00 111.43 1x3p n LEU 42 Ca 0.00 -0.08 -0.06 0.00 -0.02 0.00 0.00 56.01 55.85 1x3p n LEU 42 Cb 0.00 -0.18 -0.02 0.00 -1.62 0.00 0.00 43.42 41.60 1x3p n LEU 42 CO 0.00 0.12 -0.45 0.52 -1.22 0.00 0.00 177.39 176.37 1x3p n VAL 43 N -1.60 1.44 -0.17 4.08 0.31 -1.26 -4.33 118.33 116.80 1x3p n VAL 43 Ca 0.05 0.19 -0.03 0.00 -0.01 0.00 0.00 64.34 64.54 1x3p n VAL 43 Cb 0.36 -2.38 0.03 0.00 -0.91 0.00 0.00 33.84 30.94 1x3p n VAL 43 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1x3p h LEU 44 N -1.00 -0.73 -1.76 7.52 7.12 -1.78 0.15 115.31 124.83 1x3p h LEU 44 Ca 0.00 0.18 0.32 0.00 0.13 0.00 0.00 57.88 58.52 1x3p h LEU 44 Cb 0.66 0.42 -0.07 0.00 -0.53 0.00 0.00 40.66 41.14 1x3p h LEU 44 CO 0.00 -0.24 0.79 -0.07 -0.13 0.00 0.00 178.44 178.80 1x3p h LEU 45 N -0.08 0.16 0.00 2.25 3.38 -1.80 2.07 115.31 121.28 1x3p h LEU 45 Ca 0.25 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 1x3p h LEU 45 Cb 0.47 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1x3p h LEU 45 CO -0.59 0.02 -0.76 1.88 0.09 0.00 0.00 178.44 179.08 1x3p h TYR 46 N 0.13 0.00 -0.01 1.13 -1.99 -0.93 -3.14 116.97 112.16 1x3p h TYR 46 Ca 0.59 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.32 1x3p h TYR 46 Cb 2.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.77 1x3p h TYR 46 CO -0.00 0.48 -0.25 0.00 -0.00 0.00 0.00 178.16 178.39 1x3p n GLN 47 N -3.10 1.17 -0.22 4.88 -0.00 0.49 -3.70 117.38 116.90 1x3p n GLN 47 Ca -0.01 -0.79 0.23 0.00 -0.00 0.00 0.00 57.00 56.43 1x3p n GLN 47 Cb 0.75 -1.48 0.60 0.00 -0.00 0.00 0.00 30.24 30.10 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 1.93 0.23 -0.04 2.61 3.07 0.26 1.64 115.11 124.82 1x3p h GLN 48 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 58.65 58.75 1x3p h GLN 48 Cb 0.60 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.08 1x3p h GLN 48 CO 0.00 0.15 -0.08 1.96 0.09 0.00 0.00 178.83 180.95 1x3p h GLN 49 N 0.24 -0.12 -6.93 0.06 1.08 -1.76 -3.44 115.11 104.24 1x3p h GLN 49 Ca 0.46 0.01 -0.47 0.00 -1.45 0.00 0.00 58.65 57.21 1x3p h GLN 49 Cb 1.42 0.03 0.04 0.00 -0.05 0.00 0.00 27.48 28.92 1x3p h GLN 49 CO -0.12 -0.08 0.05 -0.65 -0.95 0.00 0.00 178.83 177.08 1x3p s GLN 50 N -6.17 2.92 0.00 1.46 -1.52 0.56 -4.79 119.66 112.12 1x3p s GLN 50 Ca -0.14 -0.27 0.27 0.00 -1.95 0.00 0.00 55.36 53.27 1x3p s GLN 50 Cb 0.08 -2.40 0.94 0.00 -0.22 0.00 0.00 33.01 31.41 1x3p s GLN 50 CO 0.67 -0.55 1.69 -0.35 -0.25 0.00 0.00 175.29 176.49 1x3p n PRO 51 N -2.37 0.71 -2.92 2.91 -0.05 -1.26 -4.87 135.00 127.15 1x3p n PRO 51 Ca 0.04 -0.35 -0.10 0.00 -0.05 0.00 0.00 63.50 63.04 1x3p n PRO 51 Cb 0.58 -1.49 0.05 0.00 -0.05 0.00 0.00 33.50 32.58 1x3p n PRO 51 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 175.50 175.33 1x3p n MET 52 N -0.84 -1.73 -0.01 0.54 0.00 -1.26 -4.97 117.12 108.85 1x3p n MET 52 Ca 0.13 0.83 0.05 0.00 -0.00 0.00 0.00 57.70 58.70 1x3p n MET 52 Cb 0.32 -5.08 -0.10 0.00 0.00 0.00 0.00 33.22 28.36 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 -2.70 2.12 0.00 6.12 0.23 -1.26 -4.94 115.26 114.83 1x3p n ASN 53 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 1x3p n ASN 53 Cb 0.58 1.50 0.00 0.00 -2.08 0.00 0.00 39.78 39.78 1x3p n ASN 53 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71