#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 -0.03 -0.34 0.00 -7.23 -1.26 -5.13 120.40 106.41 1x3p s VAL 2 Ca 0.00 0.12 -0.11 0.00 -1.81 0.00 0.00 61.98 60.18 1x3p s VAL 2 Cb 0.00 -0.22 0.00 0.00 0.56 0.00 0.00 36.38 36.72 1x3p s VAL 2 CO 0.00 0.05 0.19 0.00 -0.31 0.00 0.00 175.10 175.02 1x3p s ALA 3 N 0.77 3.31 0.13 1.32 0.00 -1.26 -4.85 121.76 121.19 1x3p s ALA 3 Ca -0.06 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1x3p s ALA 3 Cb -0.08 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1x3p s ALA 3 CO -0.04 -1.09 0.00 0.39 0.00 0.00 0.00 175.76 175.02 1x3p n GLU 4 N 5.01 0.00 -4.89 0.00 1.02 -1.26 -5.09 120.64 115.43 1x3p n GLU 4 Ca -0.13 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.69 1x3p n GLU 4 Cb 0.48 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.73 1x3p n GLU 4 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x3p s SER 5 N -3.64 3.02 -0.31 1.62 0.15 -1.26 -4.86 113.70 108.41 1x3p s SER 5 Ca 0.00 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.10 1x3p s SER 5 Cb 0.00 -1.39 0.15 0.00 -1.71 0.00 0.00 66.02 63.07 1x3p s SER 5 CO 0.00 0.11 0.37 0.68 1.20 0.00 0.00 173.24 175.60 1x3p s VAL 6 N 0.62 -0.52 0.00 4.45 -7.23 -1.26 -3.02 120.40 113.44 1x3p s VAL 6 Ca -0.12 -0.48 0.09 0.00 -1.81 0.00 0.00 61.98 59.66 1x3p s VAL 6 Cb -0.17 -0.90 0.14 0.00 0.56 0.00 0.00 36.38 36.02 1x3p s VAL 6 CO 0.03 -0.39 1.01 2.30 -0.31 0.00 0.00 175.10 177.74 1x3p n ILE 7 N 5.11 0.00 -3.51 -0.62 -5.35 -1.26 -4.96 119.36 108.77 1x3p n ILE 7 Ca 0.02 -0.33 -0.39 0.00 -0.27 0.00 0.00 62.75 61.77 1x3p n ILE 7 Cb 0.48 0.62 -0.10 0.00 -1.74 0.00 0.00 39.64 38.89 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 -1.23 1.93 0.18 3.28 0.00 -0.60 -5.02 107.32 105.85 1x3p s GLY 8 Ca 0.11 -1.17 -0.08 0.00 0.00 0.00 0.00 44.72 43.59 1x3p s GLY 8 CO -0.06 0.79 0.27 0.54 0.00 0.00 0.00 173.10 174.65 1x3p s LYS 9 N 1.84 1.19 0.00 2.90 1.02 -1.26 0.00 119.74 125.43 1x3p s LYS 9 Ca 0.09 -1.26 0.17 0.00 0.02 0.00 0.00 55.97 54.99 1x3p s LYS 9 Cb -0.16 0.37 0.72 0.00 -0.52 0.00 0.00 37.83 38.23 1x3p s LYS 9 CO 0.11 -0.43 1.51 0.54 -0.92 0.00 0.00 175.35 176.15 1x3p n ARG 10 N -0.23 1.52 0.00 1.68 5.12 0.32 -4.86 116.66 120.20 1x3p n ARG 10 Ca -0.05 -0.78 0.00 0.00 -1.93 0.00 0.00 57.85 55.08 1x3p n ARG 10 Cb 0.63 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 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 0.03 0.00 -4.08 1.55 0.31 -1.26 -4.66 118.33 110.22 1x3p n VAL 11 Ca 0.14 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.21 1x3p n VAL 11 Cb 0.24 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.12 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 2.42 -0.54 2.92 0.00 -1.26 -4.96 107.32 105.90 1x3p s GLY 12 Ca 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 44.72 43.06 1x3p s GLY 12 CO 0.00 -1.94 2.82 2.09 0.00 0.00 0.00 173.10 176.07 1x3p n ASP 13 N -1.43 6.58 0.00 1.64 5.75 -1.26 -4.39 116.55 123.44 1x3p n ASP 13 Ca -0.03 -3.11 0.00 0.00 -0.01 0.00 0.00 54.79 51.64 1x3p n ASP 13 Cb 0.65 -1.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 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 1.20 0.00 -2.71 -1.12 -0.08 -1.26 -5.04 116.55 107.53 1x3p n ASP 14 Ca 0.50 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.74 1x3p n ASP 14 Cb 0.55 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.09 1x3p n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x3p n GLY 15 N 4.51 1.69 2.66 0.27 0.00 -1.26 -5.00 105.19 108.06 1x3p n GLY 15 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.79 0.09 -2.31 1.61 3.00 -1.26 -5.15 118.16 113.34 1x3p n LYS 16 Ca -0.03 -0.66 -0.26 0.00 -0.00 0.00 0.00 58.31 57.36 1x3p n LYS 16 Cb 0.84 -0.06 0.14 0.00 0.00 0.00 0.00 35.03 35.95 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 0.32 2.09 0.15 3.15 -1.32 -1.26 -4.31 115.64 114.45 1x3p s THR 17 Ca 0.25 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1x3p s THR 17 Cb 0.19 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 1x3p s THR 17 CO -0.08 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 171.95 1x3p n ILE 18 N -3.20 0.00 -3.66 5.08 2.08 -1.26 -4.89 119.36 113.50 1x3p n ILE 18 Ca 0.15 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.31 1x3p n ILE 18 Cb 0.60 -0.29 -0.07 0.00 -0.75 0.00 0.00 39.64 39.12 1x3p n ILE 18 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1x3p s GLU 19 N -2.00 0.84 0.21 0.38 2.12 -1.26 -4.86 118.70 114.12 1x3p s GLU 19 Ca 0.00 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.02 1x3p s GLU 19 Cb 0.00 0.38 -0.08 0.00 0.26 0.00 0.00 34.13 34.69 1x3p s GLU 19 CO 0.00 -0.25 1.00 1.52 -0.54 0.00 0.00 175.26 176.99 1x3p s TYR 20 N -1.30 3.80 -0.22 5.30 -0.85 -1.26 0.12 117.35 122.94 1x3p s TYR 20 Ca -0.12 1.79 -0.05 0.00 -0.52 0.00 0.00 57.07 58.17 1x3p s TYR 20 Cb -0.03 -3.11 0.11 0.00 0.38 0.00 0.00 41.96 39.32 1x3p s TYR 20 CO 0.06 0.02 0.39 -0.51 -1.52 0.00 0.00 175.55 174.00 1x3p s LEU 21 N -0.81 -0.64 -0.26 -3.49 1.43 0.10 -4.51 118.68 110.50 1x3p s LEU 21 Ca 0.45 0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 54.04 1x3p s LEU 21 Cb -0.27 1.22 -0.04 0.00 0.03 0.00 0.00 46.19 47.13 1x3p s LEU 21 CO 0.34 -0.27 0.14 -0.69 0.23 0.00 0.00 176.35 176.10 1x3p s VAL 22 N 2.58 4.92 -0.41 -1.59 1.01 -1.02 -1.56 120.40 124.33 1x3p s VAL 22 Ca 0.06 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1x3p s VAL 22 Cb -0.14 -3.32 0.12 0.00 0.00 0.00 0.00 36.38 33.04 1x3p s VAL 22 CO -0.14 0.29 0.18 -0.54 0.00 0.00 0.00 175.10 174.90 1x3p s LYS 23 N 1.64 1.26 1.01 2.72 3.01 -1.26 -0.76 119.74 127.36 1x3p s LYS 23 Ca 0.07 -1.84 -0.14 0.00 -1.01 0.00 0.00 55.97 53.05 1x3p s LYS 23 Cb -0.15 -2.49 0.21 0.00 -1.01 0.00 0.00 37.83 34.39 1x3p s LYS 23 CO 0.08 -1.09 0.48 0.91 0.51 0.00 0.00 175.35 176.24 1x3p n TRP 24 N 3.89 -2.66 0.26 3.18 5.03 -1.17 -4.23 117.44 121.74 1x3p n TRP 24 Ca 0.05 -0.18 0.12 0.00 3.03 0.00 0.00 57.50 60.51 1x3p n TRP 24 Cb 0.37 -1.23 0.05 0.00 -1.03 0.00 0.00 31.31 29.47 1x3p n TRP 24 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1x3p h THR 25 N -2.89 0.00 0.00 -0.99 1.03 -1.89 -3.40 112.91 104.76 1x3p h THR 25 Ca -0.22 -0.83 -0.17 0.00 -0.01 0.00 0.00 66.41 65.19 1x3p h THR 25 Cb 0.73 1.35 -0.02 0.00 -1.07 0.00 0.00 68.15 69.14 1x3p h THR 25 CO 0.13 0.00 -1.49 -0.67 -0.01 0.00 0.00 175.52 173.48 1x3p n ASP 26 N -2.49 0.86 -4.16 0.00 2.03 -1.26 -4.93 116.55 106.59 1x3p n ASP 26 Ca 0.01 0.15 -0.38 0.00 0.52 0.00 0.00 54.79 55.09 1x3p n ASP 26 Cb 0.51 -0.35 -0.11 0.00 -0.72 0.00 0.00 41.12 40.46 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 -2.22 2.21 0.83 -0.67 1.75 -1.26 -5.09 119.30 114.84 1x3p s MET 27 Ca -0.15 -1.74 -0.10 0.00 -1.25 0.00 0.00 55.69 52.44 1x3p s MET 27 Cb 0.06 -3.68 0.09 0.00 2.84 0.00 0.00 34.83 34.14 1x3p s MET 27 CO 0.19 -1.07 1.11 -1.54 -0.65 0.00 0.00 175.02 173.06 1x3p s SER 28 N 2.05 3.90 -0.59 1.11 1.04 -1.26 -3.25 113.70 116.70 1x3p s SER 28 Ca 0.06 1.92 -0.12 0.00 0.48 0.00 0.00 55.95 58.29 1x3p s SER 28 Cb -0.24 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.38 1x3p s SER 28 CO -0.03 -2.44 0.64 0.47 0.98 0.00 0.00 173.24 172.87 1x3p n ASP 29 N -3.79 -7.13 -0.02 7.02 9.92 -1.21 -4.85 116.55 116.50 1x3p n ASP 29 Ca 0.10 0.04 -0.02 0.00 -0.53 0.00 0.00 54.79 54.37 1x3p n ASP 29 Cb 0.53 -4.31 -0.01 0.00 -0.64 0.00 0.00 41.12 36.69 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 -1.06 0.45 -2.10 2.24 0.00 0.06 -5.02 120.51 115.08 1x3p n ALA 30 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1x3p n ALA 30 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.06 0.00 -3.69 0.00 -1.04 -1.24 -5.00 114.28 100.26 1x3p n THR 31 Ca -0.04 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.83 1x3p n THR 31 Cb 0.14 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.57 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 2.96 -0.45 0.00 -1.42 0.52 -1.26 -2.42 118.94 116.86 1x3p s TRP 32 Ca 0.00 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.08 1x3p s TRP 32 Cb 0.00 0.20 0.00 0.00 -1.15 0.00 0.00 33.47 32.52 1x3p s TRP 32 CO 0.00 -0.37 0.00 0.39 0.02 0.00 0.00 176.95 176.99 1x3p n GLU 33 N 1.97 0.00 0.00 4.98 -0.58 -1.22 -4.48 120.64 121.31 1x3p n GLU 33 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1x3p n GLU 33 Cb 0.56 -0.12 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 1x3p n GLU 33 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1x3p n PRO 34 N -0.49 0.00 -0.93 3.49 -0.02 -1.25 -1.59 135.00 134.21 1x3p n PRO 34 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1x3p n PRO 34 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 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 2.56 -3.30 -0.52 7.27 -1.26 -3.97 117.38 118.16 1x3p n GLN 35 Ca 0.00 -1.70 -0.09 0.00 0.07 0.00 0.00 57.00 55.28 1x3p n GLN 35 Cb 0.00 -2.58 -0.05 0.00 2.41 0.00 0.00 30.24 30.02 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 3.08 0.13 -0.31 1.69 1.11 -0.62 -4.79 116.67 116.97 1x3p s ASP 36 Ca 0.49 -0.90 -0.01 0.00 0.18 0.00 0.00 52.55 52.31 1x3p s ASP 36 Cb 0.13 1.15 0.22 0.00 1.07 0.00 0.00 42.92 45.48 1x3p s ASP 36 CO -0.04 -0.27 1.98 -3.20 1.18 0.00 0.00 175.17 174.82 1x3p n ASN 37 N 4.72 6.27 -4.74 0.27 4.05 -1.26 -4.52 115.26 120.05 1x3p n ASN 37 Ca 0.07 -3.04 -0.41 0.00 0.45 0.00 0.00 54.58 51.66 1x3p n ASN 37 Cb 0.50 -1.03 -0.05 0.00 1.23 0.00 0.00 39.78 40.42 1x3p n ASN 37 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1x3p s VAL 38 N -2.22 4.32 0.00 3.44 0.11 -1.26 -3.77 120.40 121.02 1x3p s VAL 38 Ca 0.30 2.08 0.00 0.00 -2.93 0.00 0.00 61.98 61.43 1x3p s VAL 38 Cb 0.24 -4.32 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 1x3p s VAL 38 CO -0.00 0.39 0.00 0.47 -3.33 0.00 0.00 175.10 172.63 1x3p n ASP 39 N 2.26 0.00 -0.17 3.54 8.00 -1.26 -4.42 116.55 124.50 1x3p n ASP 39 Ca 0.01 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1x3p n ASP 39 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 1x3p n ASP 39 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1x3p n SER 40 N 2.30 -4.02 0.01 -2.24 7.64 -1.25 -4.84 113.62 111.22 1x3p n SER 40 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1x3p n SER 40 Cb 0.00 -1.72 0.00 0.00 -1.01 0.00 0.00 64.21 61.48 1x3p n SER 40 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1x3p n THR 41 N -2.69 0.22 0.13 0.44 -1.04 -1.26 -4.55 114.28 105.53 1x3p n THR 41 Ca -0.02 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1x3p n THR 41 Cb 0.20 -1.06 0.02 0.00 -1.82 0.00 0.00 70.33 67.66 1x3p n THR 41 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1x3p h LEU 42 N 0.00 0.00 0.00 -4.42 3.38 -1.88 -3.35 115.31 109.03 1x3p h LEU 42 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x3p h LEU 42 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x3p h LEU 42 CO 0.00 0.61 -0.56 0.52 0.09 0.00 0.00 178.44 179.10 1x3p n VAL 43 N -3.29 1.42 -0.16 1.22 0.31 -1.26 -4.08 118.33 112.49 1x3p n VAL 43 Ca 0.01 0.21 0.16 0.00 -0.01 0.00 0.00 64.34 64.71 1x3p n VAL 43 Cb 0.76 -2.39 0.29 0.00 -0.91 0.00 0.00 33.84 31.60 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 -4.59 0.17 0.32 7.52 0.00 -1.26 0.19 117.00 119.36 1x3p n LEU 44 Ca -0.08 0.82 -0.15 0.00 0.00 0.00 0.00 56.01 56.60 1x3p n LEU 44 Cb 0.29 -0.40 -0.08 0.00 0.00 0.00 0.00 43.42 43.24 1x3p n LEU 44 CO 0.12 -0.91 0.45 -0.07 0.00 0.00 0.00 177.39 176.98 1x3p h LEU 45 N 0.00 -0.71 -1.72 -1.96 3.38 -1.76 1.35 115.31 113.89 1x3p h LEU 45 Ca 0.42 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1x3p h LEU 45 Cb 1.11 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1x3p h LEU 45 CO -0.38 -0.36 0.00 1.88 0.09 0.00 0.00 178.44 179.68 1x3p h TYR 46 N -1.11 0.00 0.00 1.13 0.05 0.20 0.34 116.97 117.58 1x3p h TYR 46 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1x3p h TYR 46 Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1x3p h TYR 46 CO 0.00 0.00 -0.86 0.94 -1.05 0.00 0.00 178.16 177.20 1x3p n GLN 47 N -2.49 0.19 -0.12 4.88 0.00 0.37 -3.67 117.38 116.54 1x3p n GLN 47 Ca -0.01 0.01 0.26 0.00 -0.00 0.00 0.00 57.00 57.26 1x3p n GLN 47 Cb 0.08 -1.57 0.72 0.00 0.00 0.00 0.00 30.24 29.47 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 0.00 0.10 3.69 3.07 0.59 1.24 115.11 123.81 1x3p h GLN 48 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1x3p h GLN 48 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.22 1x3p h GLN 48 CO 0.00 0.00 -0.05 1.96 0.09 0.00 0.00 178.83 180.83 1x3p h GLN 49 N 0.00 -0.13 -6.49 0.06 1.08 -1.65 -3.44 115.11 104.53 1x3p h GLN 49 Ca 0.37 0.01 -0.50 0.00 -1.45 0.00 0.00 58.65 57.08 1x3p h GLN 49 Cb 1.56 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.02 1x3p h GLN 49 CO -0.00 0.11 -0.18 -0.65 -0.95 0.00 0.00 178.83 177.16 1x3p s GLN 50 N -5.24 3.54 0.42 1.46 -1.52 0.43 -4.87 119.66 113.88 1x3p s GLN 50 Ca -0.15 -0.21 0.29 0.00 -1.95 0.00 0.00 55.36 53.35 1x3p s GLN 50 Cb 0.04 -2.67 1.50 0.00 -0.22 0.00 0.00 33.01 31.66 1x3p s GLN 50 CO 0.64 0.19 1.89 -1.35 -0.25 0.00 0.00 175.29 176.41 1x3p h PRO 51 N 1.17 0.00 -0.81 2.91 0.11 -1.90 0.94 132.00 134.42 1x3p h PRO 51 Ca -0.49 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 1x3p h PRO 51 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 1x3p h PRO 51 CO 0.64 0.00 -0.39 0.52 -0.21 0.00 0.00 178.00 178.56 1x3p h MET 52 N 0.00 -0.08 -0.00 1.05 2.86 -1.86 -2.10 114.93 114.80 1x3p h MET 52 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1x3p h MET 52 Cb 0.11 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1x3p h MET 52 CO 0.00 -0.05 -0.33 -1.71 1.06 0.00 0.00 176.91 175.88 1x3p n ASN 53 N -5.44 0.36 0.00 1.22 2.85 -1.23 -4.95 115.26 108.06 1x3p n ASN 53 Ca 0.07 -0.68 0.00 0.00 -0.11 0.00 0.00 54.58 53.86 1x3p n ASN 53 Cb 0.37 0.98 0.00 0.00 1.24 0.00 0.00 39.78 42.37 1x3p n ASN 53 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36