#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3p s VAL 2 N 0.00 0.69 -0.62 0.00 -7.23 -1.26 -5.10 120.40 106.88 1x3p s VAL 2 Ca 0.00 -0.18 -0.18 0.00 -1.81 0.00 0.00 61.98 59.80 1x3p s VAL 2 Cb 0.00 -0.70 0.11 0.00 0.56 0.00 0.00 36.38 36.35 1x3p s VAL 2 CO 0.00 0.27 0.72 0.00 -0.31 0.00 0.00 175.10 175.78 1x3p s ALA 3 N 1.06 3.47 0.00 1.32 0.00 -1.26 -4.81 121.76 121.53 1x3p s ALA 3 Ca -0.08 -2.34 0.00 0.00 0.00 0.00 0.00 51.96 49.53 1x3p s ALA 3 Cb -0.14 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1x3p s ALA 3 CO -0.01 -2.36 0.00 0.39 0.00 0.00 0.00 175.76 173.78 1x3p n GLU 4 N 6.14 0.00 -4.16 0.00 -0.58 -1.26 -5.06 120.64 115.72 1x3p n GLU 4 Ca -0.07 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.33 1x3p n GLU 4 Cb 0.43 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.17 1x3p n GLU 4 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1x3p s SER 5 N -4.66 4.63 -0.36 1.62 0.01 -1.26 -4.92 113.70 108.76 1x3p s SER 5 Ca 0.00 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.05 1x3p s SER 5 Cb 0.00 -1.78 0.16 0.00 0.21 0.00 0.00 66.02 64.61 1x3p s SER 5 CO 0.00 0.07 0.42 0.68 0.41 0.00 0.00 173.24 174.82 1x3p s VAL 6 N 0.95 -0.51 -0.46 3.43 -7.23 -1.23 -3.05 120.40 112.30 1x3p s VAL 6 Ca 0.00 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.58 1x3p s VAL 6 Cb -0.14 -0.65 0.23 0.00 0.56 0.00 0.00 36.38 36.38 1x3p s VAL 6 CO 0.01 -0.42 0.72 2.30 -0.31 0.00 0.00 175.10 177.40 1x3p n ILE 7 N 4.56 -0.29 -3.55 -0.62 -5.35 -1.26 -4.95 119.36 107.90 1x3p n ILE 7 Ca 0.08 -2.28 -0.19 0.00 -0.27 0.00 0.00 62.75 60.10 1x3p n ILE 7 Cb 0.48 0.23 -0.14 0.00 -1.74 0.00 0.00 39.64 38.47 1x3p n ILE 7 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1x3p s GLY 8 N -1.07 0.05 0.18 3.28 0.00 -0.49 -4.88 107.32 104.38 1x3p s GLY 8 Ca 0.33 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 45.33 1x3p s GLY 8 CO -0.18 2.00 0.09 0.54 0.00 0.00 0.00 173.10 175.55 1x3p s LYS 9 N 2.30 1.11 0.00 2.90 -0.14 -1.26 0.11 119.74 124.77 1x3p s LYS 9 Ca 0.05 -1.56 0.23 0.00 -1.36 0.00 0.00 55.97 53.33 1x3p s LYS 9 Cb -0.15 0.19 0.99 0.00 -1.68 0.00 0.00 37.83 37.18 1x3p s LYS 9 CO -0.10 -0.32 1.69 0.54 -0.76 0.00 0.00 175.35 176.39 1x3p n ARG 10 N -0.22 1.54 0.00 1.68 3.00 0.10 -4.87 116.66 117.89 1x3p n ARG 10 Ca -0.01 -0.80 0.00 0.00 -0.01 0.00 0.00 57.85 57.02 1x3p n ARG 10 Cb 0.65 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.70 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 0.00 0.00 -3.06 1.55 0.31 -1.26 -4.70 118.33 111.17 1x3p n VAL 11 Ca 0.17 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.31 1x3p n VAL 11 Cb 0.28 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.27 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 1.98 2.06 2.92 0.00 -1.26 -4.95 105.19 105.94 1x3p n GLY 12 Ca 0.00 -2.23 -0.19 0.00 0.00 0.00 0.00 46.02 43.61 1x3p n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x3p n ASP 13 N -2.34 3.82 0.00 1.61 2.03 -1.26 -4.35 116.55 116.07 1x3p n ASP 13 Ca 0.15 -3.38 0.00 0.00 0.52 0.00 0.00 54.79 52.09 1x3p n ASP 13 Cb 0.58 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1x3p n ASP 13 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1x3p n ASP 14 N -0.82 0.00 -2.07 1.67 9.92 -1.26 -4.99 116.55 119.00 1x3p n ASP 14 Ca 0.51 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.75 1x3p n ASP 14 Cb 1.51 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 42.03 1x3p n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x3p n GLY 15 N 3.18 1.40 2.73 0.44 0.00 -1.26 -4.98 105.19 106.69 1x3p n GLY 15 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.56 0.75 -2.30 1.61 3.00 -1.26 -5.16 118.16 114.25 1x3p n LYS 16 Ca -0.10 -1.64 -0.26 0.00 -0.00 0.00 0.00 58.31 56.31 1x3p n LYS 16 Cb 0.86 -1.19 0.11 0.00 0.00 0.00 0.00 35.03 34.82 1x3p n LYS 16 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1x3p s THR 17 N 0.51 2.17 0.00 3.15 -1.32 -1.26 -4.32 115.64 114.57 1x3p s THR 17 Ca 0.29 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1x3p s THR 17 Cb 0.24 -2.83 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 1x3p s THR 17 CO -0.18 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 171.85 1x3p n ILE 18 N -3.08 0.00 -3.86 5.08 5.41 -1.26 -4.91 119.36 116.74 1x3p n ILE 18 Ca 0.13 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.78 1x3p n ILE 18 Cb 0.60 -0.14 -0.05 0.00 -0.71 0.00 0.00 39.64 39.34 1x3p n ILE 18 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1x3p s GLU 19 N -1.46 1.30 -0.03 0.38 2.02 -1.26 -4.87 118.70 114.79 1x3p s GLU 19 Ca 0.00 -1.03 -0.11 0.00 0.02 0.00 0.00 54.97 53.85 1x3p s GLU 19 Cb 0.00 0.46 -0.05 0.00 0.10 0.00 0.00 34.13 34.64 1x3p s GLU 19 CO 0.00 -0.52 0.31 1.52 0.02 0.00 0.00 175.26 176.59 1x3p s TYR 20 N -3.93 3.65 -0.27 1.61 -0.85 -1.26 -0.72 117.35 115.59 1x3p s TYR 20 Ca 0.14 0.78 -0.02 0.00 -0.52 0.00 0.00 57.07 57.44 1x3p s TYR 20 Cb 0.01 -2.13 0.15 0.00 0.38 0.00 0.00 41.96 40.37 1x3p s TYR 20 CO -0.01 0.66 0.46 -0.51 -1.52 0.00 0.00 175.55 174.63 1x3p s LEU 21 N -1.25 -0.91 -0.21 -3.49 1.43 0.31 -4.55 118.68 110.01 1x3p s LEU 21 Ca 0.23 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.62 1x3p s LEU 21 Cb -0.15 1.48 -0.05 0.00 0.03 0.00 0.00 46.19 47.51 1x3p s LEU 21 CO 0.11 -0.29 0.18 0.54 0.23 0.00 0.00 176.35 177.13 1x3p s VAL 22 N 2.65 5.36 -0.28 -1.59 0.11 -1.20 -1.39 120.40 124.05 1x3p s VAL 22 Ca 0.15 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1x3p s VAL 22 Cb -0.15 -3.52 0.08 0.00 -1.53 0.00 0.00 36.38 31.26 1x3p s VAL 22 CO -0.19 0.38 0.04 -0.54 -3.33 0.00 0.00 175.10 171.47 1x3p s LYS 23 N 0.74 1.06 1.36 1.54 -0.14 -1.26 -1.11 119.74 121.93 1x3p s LYS 23 Ca 0.10 -1.11 -0.23 0.00 -1.36 0.00 0.00 55.97 53.37 1x3p s LYS 23 Cb -0.13 -2.36 0.35 0.00 -1.68 0.00 0.00 37.83 34.01 1x3p s LYS 23 CO 0.02 -0.84 0.95 0.91 -0.76 0.00 0.00 175.35 175.64 1x3p n TRP 24 N 4.73 -3.83 -1.01 3.18 5.03 -1.17 -3.52 117.44 120.84 1x3p n TRP 24 Ca -0.04 -0.88 -0.01 0.00 3.03 0.00 0.00 57.50 59.60 1x3p n TRP 24 Cb 0.43 -1.19 0.33 0.00 -1.03 0.00 0.00 31.31 29.86 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 -5.40 2.84 0.00 -0.99 5.66 -1.26 -4.16 114.28 110.97 1x3p n THR 25 Ca 0.14 -1.62 0.00 0.00 -3.05 0.00 0.00 64.05 59.52 1x3p n THR 25 Cb 0.59 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 1x3p n THR 25 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1x3p n ASP 26 N 0.04 0.00 0.22 1.09 8.00 -1.26 -4.93 116.55 119.71 1x3p n ASP 26 Ca 0.35 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.94 1x3p n ASP 26 Cb 1.29 0.21 0.62 0.00 -0.02 0.00 0.00 41.12 43.23 1x3p n ASP 26 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1x3p h MET 27 N 0.00 0.05 -3.96 -1.24 4.05 -1.99 -3.48 114.93 108.35 1x3p h MET 27 Ca 0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1x3p h MET 27 Cb 0.00 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 1x3p h MET 27 CO 0.00 0.03 -0.93 -1.13 0.23 0.00 0.00 176.91 175.11 1x3p n SER 28 N -4.52 -8.76 -3.06 1.39 3.41 -1.26 -4.88 113.62 95.94 1x3p n SER 28 Ca -0.01 1.29 -0.07 0.00 -0.26 0.00 0.00 58.87 59.81 1x3p n SER 28 Cb 0.13 -5.11 0.01 0.00 -0.26 0.00 0.00 64.21 58.97 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 -0.74 -7.02 0.00 4.04 2.03 -1.23 -4.75 116.55 108.88 1x3p n ASP 29 Ca 0.00 0.66 0.00 0.00 0.52 0.00 0.00 54.79 55.97 1x3p n ASP 29 Cb 0.00 -3.19 0.00 0.00 -0.72 0.00 0.00 41.12 37.21 1x3p n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x3p n ALA 30 N 0.71 0.00 -1.40 -1.67 0.00 -0.27 -4.95 120.51 112.93 1x3p n ALA 30 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x3p n ALA 30 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1x3p n ALA 30 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x3p n THR 31 N 0.00 0.00 -3.77 0.00 5.66 -1.26 -4.88 114.28 110.03 1x3p n THR 31 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1x3p n THR 31 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1x3p n THR 31 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1x3p s TRP 32 N 0.97 0.02 0.00 1.09 0.52 -1.26 -3.28 118.94 117.00 1x3p s TRP 32 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 56.10 55.75 1x3p s TRP 32 Cb 0.00 0.17 0.00 0.00 -1.15 0.00 0.00 33.47 32.49 1x3p s TRP 32 CO 0.00 -0.74 0.00 0.39 0.02 0.00 0.00 176.95 176.62 1x3p n GLU 33 N -0.23 0.00 0.00 4.98 1.02 -1.25 -4.45 120.64 120.70 1x3p n GLU 33 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1x3p n GLU 33 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.05 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 -0.07 0.00 -0.34 3.49 -0.02 -1.26 -1.01 135.00 135.78 1x3p n PRO 34 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 1x3p n PRO 34 Cb 0.00 -0.06 -0.05 0.00 -0.02 0.00 0.00 33.50 33.37 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 0.74 -3.28 -0.52 7.27 -1.26 -4.21 117.38 116.12 1x3p n GLN 35 Ca 0.00 -0.45 -0.08 0.00 0.07 0.00 0.00 57.00 56.54 1x3p n GLN 35 Cb 0.00 -1.76 -0.04 0.00 2.41 0.00 0.00 30.24 30.84 1x3p n GLN 35 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1x3p s ASP 36 N 2.92 -0.14 -0.38 1.69 1.11 -0.18 -4.88 116.67 116.80 1x3p s ASP 36 Ca 0.22 -1.08 -0.01 0.00 0.18 0.00 0.00 52.55 51.86 1x3p s ASP 36 Cb 0.10 1.25 0.24 0.00 1.07 0.00 0.00 42.92 45.58 1x3p s ASP 36 CO -0.00 -0.23 2.05 -3.20 1.18 0.00 0.00 175.17 174.97 1x3p n ASN 37 N 4.46 6.66 -2.26 0.27 5.15 -1.26 -4.52 115.26 123.76 1x3p n ASN 37 Ca 0.10 -3.18 -0.24 0.00 -0.60 0.00 0.00 54.58 50.65 1x3p n ASN 37 Cb 0.51 -1.05 -0.00 0.00 -0.53 0.00 0.00 39.78 38.70 1x3p n ASN 37 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1x3p n VAL 38 N 0.18 3.16 0.00 3.44 0.31 -1.26 -4.52 118.33 119.63 1x3p n VAL 38 Ca 0.36 -2.53 0.00 0.00 -0.01 0.00 0.00 64.34 62.15 1x3p n VAL 38 Cb 0.59 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1x3p n VAL 38 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1x3p n ASP 39 N 0.40 0.00 -0.65 4.52 2.03 -1.26 -5.02 116.55 116.58 1x3p n ASP 39 Ca 0.43 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1x3p n ASP 39 Cb 0.55 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.00 1.51 0.04 1.67 2.88 -1.26 -1.48 113.62 116.98 1x3p n SER 40 Ca 0.00 -2.06 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 1x3p n SER 40 Cb 0.00 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1x3p n SER 40 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1x3p n THR 41 N 0.08 0.78 -0.03 2.46 5.66 -1.26 -4.67 114.28 117.30 1x3p n THR 41 Ca 0.02 0.26 -0.11 0.00 -3.05 0.00 0.00 64.05 61.17 1x3p n THR 41 Cb 0.34 -1.48 -0.14 0.00 -1.55 0.00 0.00 70.33 67.50 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 -3.33 1.07 -0.07 1.09 7.99 -1.26 -4.38 117.00 118.13 1x3p n LEU 42 Ca 0.00 0.33 -0.04 0.00 -0.01 0.00 0.00 56.01 56.29 1x3p n LEU 42 Cb 0.15 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.45 1x3p n LEU 42 CO 0.00 0.48 -0.33 0.52 -1.51 0.00 0.00 177.39 176.55 1x3p n VAL 43 N -3.08 1.30 -0.40 4.08 0.31 -1.11 -4.08 118.33 115.34 1x3p n VAL 43 Ca -0.21 0.24 0.31 0.00 -0.01 0.00 0.00 64.34 64.67 1x3p n VAL 43 Cb 1.06 -2.31 0.50 0.00 -0.91 0.00 0.00 33.84 32.17 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 -4.40 0.05 0.24 7.52 7.94 -0.55 0.18 117.00 127.98 1x3p n LEU 44 Ca -0.07 0.74 -0.10 0.00 -1.11 0.00 0.00 56.01 55.47 1x3p n LEU 44 Cb 0.25 -0.37 -0.05 0.00 0.53 0.00 0.00 43.42 43.79 1x3p n LEU 44 CO 0.10 -0.77 0.27 -0.07 -1.11 0.00 0.00 177.39 175.81 1x3p h LEU 45 N 0.00 -0.57 -2.54 -1.96 3.38 -1.76 1.45 115.31 113.31 1x3p h LEU 45 Ca 0.59 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.58 1x3p h LEU 45 Cb 2.21 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 43.11 1x3p h LEU 45 CO -0.12 -0.16 -0.00 1.88 0.09 0.00 0.00 178.44 180.13 1x3p h TYR 46 N -1.16 0.00 0.00 1.13 0.05 0.86 0.21 116.97 118.06 1x3p h TYR 46 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1x3p h TYR 46 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 1x3p h TYR 46 CO 0.00 0.00 -0.56 0.94 -1.05 0.00 0.00 178.16 177.49 1x3p n GLN 47 N -3.09 0.04 -0.17 4.88 0.00 0.48 -3.45 117.38 116.08 1x3p n GLN 47 Ca -0.02 0.01 0.24 0.00 -0.00 0.00 0.00 57.00 57.23 1x3p n GLN 47 Cb 0.14 -1.52 0.66 0.00 0.00 0.00 0.00 30.24 29.52 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 0.00 0.11 0.47 3.69 3.07 0.54 1.44 115.11 124.43 1x3p h GLN 48 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 1x3p h GLN 48 Cb 0.54 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.08 1x3p h GLN 48 CO 0.00 0.07 -0.23 1.96 0.09 0.00 0.00 178.83 180.73 1x3p h GLN 49 N 0.11 -0.61 -5.24 0.06 1.08 -1.67 -3.41 115.11 105.43 1x3p h GLN 49 Ca 0.41 0.04 -0.64 0.00 -1.45 0.00 0.00 58.65 57.01 1x3p h GLN 49 Cb 1.44 0.14 -0.15 0.00 -0.05 0.00 0.00 27.48 28.86 1x3p h GLN 49 CO -0.05 -0.40 -0.07 -0.65 -0.95 0.00 0.00 178.83 176.71 1x3p s GLN 50 N -6.00 3.72 0.26 1.46 -1.52 0.49 -4.86 119.66 113.21 1x3p s GLN 50 Ca -0.16 -0.08 0.14 0.00 -1.95 0.00 0.00 55.36 53.31 1x3p s GLN 50 Cb 0.04 -3.77 0.78 0.00 -0.22 0.00 0.00 33.01 29.84 1x3p s GLN 50 CO 0.63 -0.57 1.38 -2.30 -0.25 0.00 0.00 175.29 174.18 1x3p n PRO 51 N 5.67 0.09 -2.49 2.91 -0.02 -1.25 -4.73 135.00 135.18 1x3p n PRO 51 Ca -0.05 0.57 -0.02 0.00 -2.02 0.00 0.00 63.50 61.98 1x3p n PRO 51 Cb 0.49 -1.94 0.01 0.00 -0.02 0.00 0.00 33.50 32.04 1x3p n PRO 51 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1x3p n MET 52 N -2.02 -0.70 -0.42 -0.52 1.56 -1.26 -4.95 117.12 108.81 1x3p n MET 52 Ca -0.01 0.08 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 1x3p n MET 52 Cb 0.15 -2.81 0.00 0.00 2.15 0.00 0.00 33.22 32.71 1x3p n MET 52 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1x3p n ASN 53 N 0.57 0.00 -0.72 6.12 2.85 -1.26 -4.93 115.26 117.89 1x3p n ASN 53 Ca -0.01 -1.51 0.13 0.00 -0.11 0.00 0.00 54.58 53.09 1x3p n ASN 53 Cb 0.51 -0.10 0.32 0.00 1.24 0.00 0.00 39.78 41.74 1x3p n ASN 53 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36