#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ps2 n ALA 2 N 0.00 1.43 -2.75 0.62 0.00 -1.26 -5.13 120.51 113.42 1ps2 n ALA 2 Ca 0.00 -0.67 -0.35 0.00 0.00 0.00 0.00 53.44 52.42 1ps2 n ALA 2 Cb 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 1ps2 n ALA 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ps2 s GLN 3 N 0.08 3.23 0.28 0.00 1.11 -1.26 -4.63 119.66 118.47 1ps2 s GLN 3 Ca 0.06 -0.35 0.01 0.00 0.01 0.00 0.00 55.36 55.08 1ps2 s GLN 3 Cb 0.29 -2.93 -0.03 0.00 -1.01 0.00 0.00 33.01 29.33 1ps2 s GLN 3 CO -0.08 0.64 0.28 0.95 0.01 0.00 0.00 175.29 177.08 1ps2 s THR 4 N -0.68 0.00 0.15 -0.19 -4.23 -1.26 -5.14 115.64 104.29 1ps2 s THR 4 Ca 0.11 -1.87 -0.19 0.00 -1.18 0.00 0.00 61.69 58.56 1ps2 s THR 4 Cb -0.12 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.15 1ps2 s THR 4 CO 0.02 0.00 0.64 -1.61 -0.54 0.00 0.00 174.62 173.14 1ps2 s GLU 5 N -3.70 4.22 -0.02 3.99 0.41 -1.26 -4.53 118.70 117.81 1ps2 s GLU 5 Ca 0.37 0.78 0.01 0.00 -0.41 0.00 0.00 54.97 55.72 1ps2 s GLU 5 Cb 0.03 -3.05 0.01 0.00 -1.78 0.00 0.00 34.13 29.35 1ps2 s GLU 5 CO 0.19 0.51 -0.04 0.99 -0.49 0.00 0.00 175.26 176.42 1ps2 s THR 6 N -1.34 0.42 -0.37 3.63 2.01 -1.21 -5.02 115.64 113.76 1ps2 s THR 6 Ca 0.37 -0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.30 1ps2 s THR 6 Cb -0.18 -0.41 0.61 0.00 0.01 0.00 0.00 72.50 72.53 1ps2 s THR 6 CO 0.21 0.16 1.72 0.00 -0.69 0.00 0.00 174.62 176.02 1ps2 s THR 8 N -3.23 4.62 0.03 0.00 -1.32 -1.26 -4.90 115.64 109.58 1ps2 s THR 8 Ca 0.52 1.84 -0.13 0.00 -1.21 0.00 0.00 61.69 62.71 1ps2 s THR 8 Cb 0.44 -4.34 0.02 0.00 -1.51 0.00 0.00 72.50 67.11 1ps2 s THR 8 CO 0.07 -0.31 0.29 -0.69 -2.21 0.00 0.00 174.62 171.77 1ps2 s VAL 9 N 3.37 0.08 0.30 5.08 1.01 -1.26 -4.85 120.40 124.14 1ps2 s VAL 9 Ca 0.44 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 1ps2 s VAL 9 Cb -0.14 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 1ps2 s VAL 9 CO 0.10 -0.37 0.83 0.00 0.00 0.00 0.00 175.10 175.66 1ps2 s ALA 10 N -2.38 3.27 0.09 5.51 0.00 -1.26 -4.81 121.76 122.18 1ps2 s ALA 10 Ca -0.06 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 1ps2 s ALA 10 Cb -0.02 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1ps2 s ALA 10 CO -0.02 0.25 1.03 -2.30 0.00 0.00 0.00 175.76 174.72 1ps2 n PRO 11 N 0.25 -0.25 0.15 0.00 -0.01 -1.26 0.10 135.00 133.98 1ps2 n PRO 11 Ca 0.02 1.01 -0.00 0.00 -0.01 0.00 0.00 63.50 64.51 1ps2 n PRO 11 Cb 0.52 -1.49 0.21 0.00 -0.01 0.00 0.00 33.50 32.72 1ps2 n PRO 11 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 175.50 175.56 1ps2 h ARG 12 N 0.00 0.00 -0.01 -0.52 0.11 -2.04 -2.40 114.38 109.52 1ps2 h ARG 12 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1ps2 h ARG 12 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1ps2 h ARG 12 CO -0.53 0.57 0.00 0.39 0.10 0.00 0.00 179.97 180.50 1ps2 n GLU 13 N -3.85 1.05 -2.40 0.08 1.02 0.29 -4.82 120.64 112.01 1ps2 n GLU 13 Ca -0.01 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.64 1ps2 n GLU 13 Cb 0.58 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 1ps2 n GLU 13 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ps2 s ARG 14 N -1.99 4.42 -0.47 3.49 0.52 0.26 -4.58 118.95 120.60 1ps2 s ARG 14 Ca 0.30 1.79 -0.23 0.00 -0.52 0.00 0.00 55.73 57.07 1ps2 s ARG 14 Cb 0.14 -3.35 0.03 0.00 0.52 0.00 0.00 34.95 32.29 1ps2 s ARG 14 CO 0.24 -0.28 0.82 -0.65 0.02 0.00 0.00 175.30 175.44 1ps2 s GLN 15 N 1.14 3.39 -0.35 3.54 -1.52 -1.26 -4.97 119.66 119.62 1ps2 s GLN 15 Ca 0.59 -0.16 -0.28 0.00 -1.95 0.00 0.00 55.36 53.57 1ps2 s GLN 15 Cb -0.30 -3.97 -0.06 0.00 -0.22 0.00 0.00 33.01 28.46 1ps2 s GLN 15 CO 0.29 -1.20 2.31 -1.71 -0.25 0.00 0.00 175.29 174.73 1ps2 n ASN 16 N 6.87 2.77 0.08 5.90 2.85 -1.26 -1.69 115.26 130.78 1ps2 n ASN 16 Ca 0.02 -0.09 0.12 0.00 -0.11 0.00 0.00 54.58 54.53 1ps2 n ASN 16 Cb 0.48 -1.55 0.24 0.00 1.24 0.00 0.00 39.78 40.19 1ps2 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ps2 n GLY 18 N 1.31 0.59 3.46 0.00 0.00 -1.10 -4.96 105.19 104.50 1ps2 n GLY 18 Ca 0.04 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 1ps2 n GLY 18 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ps2 n PHE 19 N -0.07 -1.25 0.06 1.61 -1.74 -1.26 -4.53 117.46 110.28 1ps2 n PHE 19 Ca 0.00 -0.13 -0.09 0.00 -0.56 0.00 0.00 57.45 56.67 1ps2 n PHE 19 Cb 0.00 -1.70 -0.12 0.00 1.52 0.00 0.00 39.48 39.18 1ps2 n PHE 19 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 1ps2 h PRO 20 N -2.65 0.05 0.00 3.97 0.13 -1.95 -3.20 132.00 128.35 1ps2 h PRO 20 Ca -0.61 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1ps2 h PRO 20 Cb 1.33 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1ps2 h PRO 20 CO 0.48 1.02 0.00 0.41 -0.23 0.00 0.00 178.00 179.68 1ps2 n GLY 21 N 1.39 -0.39 0.90 1.56 0.00 -1.26 -4.69 105.19 102.71 1ps2 n GLY 21 Ca -0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1ps2 n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ps2 n VAL 22 N -1.32 0.00 -3.92 1.61 0.24 -1.21 -5.06 118.33 108.68 1ps2 n VAL 22 Ca 0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 1ps2 n VAL 22 Cb 0.02 -0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.02 1ps2 n VAL 22 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1ps2 s THR 23 N -1.30 0.12 0.37 3.34 -4.23 -1.26 -5.01 115.64 107.67 1ps2 s THR 23 Ca 0.19 -0.95 0.31 0.00 -1.18 0.00 0.00 61.69 60.05 1ps2 s THR 23 Cb -0.03 -0.68 0.46 0.00 1.34 0.00 0.00 72.50 73.59 1ps2 s THR 23 CO 0.16 -0.52 1.18 -2.65 -0.54 0.00 0.00 174.62 172.24 1ps2 n PRO 24 N 1.07 -0.01 -0.04 3.99 -0.01 -1.26 0.11 135.00 138.84 1ps2 n PRO 24 Ca -0.21 0.89 -0.14 0.00 -0.01 0.00 0.00 63.50 64.03 1ps2 n PRO 24 Cb 0.57 -1.88 -0.12 0.00 -0.01 0.00 0.00 33.50 32.07 1ps2 n PRO 24 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 175.50 176.52 1ps2 h SER 25 N 0.00 0.09 -0.74 2.55 0.87 -1.96 -1.61 113.55 112.75 1ps2 h SER 25 Ca 0.69 -0.81 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 1ps2 h SER 25 Cb 2.47 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 64.37 1ps2 h SER 25 CO -0.20 0.89 0.33 1.56 -0.53 0.00 0.00 176.83 178.89 1ps2 h GLN 26 N -0.70 1.08 0.00 2.24 4.20 0.39 0.40 115.11 122.72 1ps2 h GLN 26 Ca -0.01 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 1ps2 h GLN 26 Cb 0.91 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1ps2 h GLN 26 CO 0.02 0.86 -0.35 0.00 -0.67 0.00 0.00 178.83 178.70 1ps2 n ALA 28 N -2.37 3.24 0.07 0.00 0.00 -0.61 -1.40 120.51 119.45 1ps2 n ALA 28 Ca -0.01 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 1ps2 n ALA 28 Cb 0.43 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 1ps2 n ALA 28 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1ps2 h ASN 29 N 1.14 -0.11 0.14 0.00 -0.73 0.41 -3.30 115.58 113.13 1ps2 h ASN 29 Ca 0.00 -0.13 -0.35 0.00 1.87 0.00 0.00 56.30 57.69 1ps2 h ASN 29 Cb 0.53 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 1ps2 h ASN 29 CO 0.00 0.06 -1.88 0.11 -0.37 0.00 0.00 177.43 175.35 1ps2 h LYS 30 N -0.28 0.29 0.00 6.67 6.56 -1.73 -3.49 116.57 124.60 1ps2 h LYS 30 Ca -0.01 -0.50 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1ps2 h LYS 30 Cb 0.23 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1ps2 h LYS 30 CO 0.02 1.24 0.00 0.41 -2.06 0.00 0.00 179.45 179.06 1ps2 n GLY 31 N 1.93 1.31 3.74 3.86 0.00 -1.19 -5.12 105.19 109.72 1ps2 n GLY 31 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1ps2 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ps2 s PHE 34 N -1.18 2.87 -0.30 0.00 2.19 -1.26 -1.14 117.98 119.16 1ps2 s PHE 34 Ca 0.53 -0.04 -0.08 0.00 0.33 0.00 0.00 56.93 57.66 1ps2 s PHE 34 Cb -0.40 -1.62 0.16 0.00 -1.31 0.00 0.00 43.02 39.84 1ps2 s PHE 34 CO 0.53 0.35 0.71 0.34 1.83 0.00 0.00 175.22 178.98 1ps2 s ASP 35 N -1.26 -1.10 -0.92 6.13 2.15 -0.46 -4.99 116.67 116.21 1ps2 s ASP 35 Ca 0.16 1.17 0.00 0.00 0.43 0.00 0.00 52.55 54.31 1ps2 s ASP 35 Cb -0.11 2.12 0.32 0.00 -0.30 0.00 0.00 42.92 44.94 1ps2 s ASP 35 CO 0.06 -0.21 1.48 -0.90 -0.17 0.00 0.00 175.17 175.43 1ps2 n ASP 36 N 5.38 6.28 -0.07 -0.34 5.68 -1.26 -4.23 116.55 127.98 1ps2 n ASP 36 Ca -0.08 -3.61 -0.06 0.00 -0.50 0.00 0.00 54.79 50.54 1ps2 n ASP 36 Cb 0.50 -1.03 -0.03 0.00 -1.14 0.00 0.00 41.12 39.42 1ps2 n ASP 36 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1ps2 h THR 37 N 2.72 0.21 -4.13 2.12 1.35 -1.97 -3.48 112.91 109.73 1ps2 h THR 37 Ca 0.35 -1.22 -0.69 0.00 -0.55 0.00 0.00 66.41 64.30 1ps2 h THR 37 Cb 0.45 0.46 -0.24 0.00 -1.73 0.00 0.00 68.15 67.09 1ps2 h THR 37 CO 1.12 0.07 -0.87 -0.69 -0.25 0.00 0.00 175.52 174.89 1ps2 s VAL 38 N -2.09 2.23 0.45 6.82 1.01 -1.26 -5.14 120.40 122.42 1ps2 s VAL 38 Ca -0.13 -1.52 -0.06 0.00 0.00 0.00 0.00 61.98 60.27 1ps2 s VAL 38 Cb 0.02 -1.92 0.10 0.00 0.00 0.00 0.00 36.38 34.58 1ps2 s VAL 38 CO 0.24 0.26 0.62 -2.11 0.00 0.00 0.00 175.10 174.11 1ps2 n ARG 39 N 1.43 -0.36 0.00 2.72 1.85 -1.26 -4.17 116.66 116.87 1ps2 n ARG 39 Ca -0.17 -1.15 0.00 0.00 -1.00 0.00 0.00 57.85 55.53 1ps2 n ARG 39 Cb 0.52 -0.57 0.00 0.00 -1.05 0.00 0.00 32.46 31.36 1ps2 n ARG 39 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ps2 n GLY 40 N 0.78 1.14 3.96 2.89 0.00 -1.26 -4.92 105.19 107.78 1ps2 n GLY 40 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1ps2 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ps2 s VAL 41 N 0.00 2.56 -0.26 1.61 -7.23 -1.26 -5.06 120.40 110.77 1ps2 s VAL 41 Ca 0.00 -0.56 -0.23 0.00 -1.81 0.00 0.00 61.98 59.38 1ps2 s VAL 41 Cb 0.00 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 1ps2 s VAL 41 CO 0.00 0.00 0.76 -2.16 -0.31 0.00 0.00 175.10 173.39 1ps2 s PRO 42 N -4.89 4.12 0.29 4.82 0.05 -1.26 -4.90 135.00 133.23 1ps2 s PRO 42 Ca 0.58 0.76 0.12 0.00 0.05 0.00 0.00 61.00 62.51 1ps2 s PRO 42 Cb -0.10 -3.66 0.39 0.00 0.05 0.00 0.00 34.50 31.17 1ps2 s PRO 42 CO 0.40 -0.51 1.62 -1.49 0.05 0.00 0.00 177.00 177.07 1ps2 h TRP 43 N 7.82 0.00 -2.69 0.56 6.55 -1.87 -3.39 115.95 122.93 1ps2 h TRP 43 Ca -0.24 0.00 -0.65 0.00 0.95 0.00 0.00 58.89 58.95 1ps2 h TRP 43 Cb 1.10 0.00 -0.16 0.00 -0.86 0.00 0.00 29.16 29.24 1ps2 h TRP 43 CO 0.76 0.59 0.47 0.00 -1.05 0.00 0.00 178.44 179.20 1ps2 s PHE 45 N 3.67 1.86 0.85 0.00 -0.71 -0.29 -0.38 117.98 122.98 1ps2 s PHE 45 Ca 0.20 -1.12 -0.13 0.00 -1.04 0.00 0.00 56.93 54.85 1ps2 s PHE 45 Cb -0.18 -1.22 0.11 0.00 -1.21 0.00 0.00 43.02 40.52 1ps2 s PHE 45 CO 0.08 -0.14 1.18 0.71 -1.34 0.00 0.00 175.22 175.72 1ps2 s TYR 46 N -3.26 2.68 0.69 3.49 2.02 -0.68 0.34 117.35 122.62 1ps2 s TYR 46 Ca 0.29 0.73 -0.03 0.00 -0.37 0.00 0.00 57.07 57.69 1ps2 s TYR 46 Cb 0.06 -3.54 0.14 0.00 -0.40 0.00 0.00 41.96 38.22 1ps2 s TYR 46 CO 0.14 -2.04 0.95 -0.35 -1.57 0.00 0.00 175.55 172.69 1ps2 n PRO 47 N -3.49 -0.27 -3.51 -1.71 -0.04 -1.26 -4.50 135.00 120.21 1ps2 n PRO 47 Ca 0.08 -2.29 -0.21 0.00 -0.04 0.00 0.00 63.50 61.05 1ps2 n PRO 47 Cb 0.60 -0.72 -0.14 0.00 -0.04 0.00 0.00 33.50 33.21 1ps2 n PRO 47 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ps2 s ASN 48 N -4.76 1.75 -0.59 3.54 -0.87 0.63 -4.98 114.94 109.66 1ps2 s ASN 48 Ca 0.61 -0.42 -0.28 0.00 -1.57 0.00 0.00 52.86 51.20 1ps2 s ASN 48 Cb -0.03 0.21 0.02 0.00 -0.02 0.00 0.00 41.25 41.42 1ps2 s ASN 48 CO 0.41 -0.34 1.39 0.42 -2.57 0.00 0.00 177.10 176.41 1ps2 s THR 49 N 2.27 3.78 0.09 1.60 -4.23 -1.26 -3.31 115.64 114.59 1ps2 s THR 49 Ca 0.06 0.64 0.07 0.00 -1.18 0.00 0.00 61.69 61.28 1ps2 s THR 49 Cb -0.16 -4.51 -0.03 0.00 1.34 0.00 0.00 72.50 69.14 1ps2 s THR 49 CO -0.15 -1.27 -0.18 -0.63 -0.54 0.00 0.00 174.62 171.86 1ps2 s ILE 50 N 6.05 1.47 0.90 2.99 1.01 -1.26 -5.05 121.20 127.30 1ps2 s ILE 50 Ca 0.50 -1.48 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 1ps2 s ILE 50 Cb -0.10 -1.39 0.16 0.00 0.01 0.00 0.00 42.46 41.14 1ps2 s ILE 50 CO 0.23 -0.16 1.26 -0.62 0.00 0.00 0.00 174.94 175.65 1ps2 s ASP 51 N -1.91 3.62 -0.35 3.58 2.15 -1.26 -4.63 116.67 117.87 1ps2 s ASP 51 Ca 0.04 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.41 1ps2 s ASP 51 Cb -0.09 -0.60 0.14 0.00 -0.30 0.00 0.00 42.92 42.07 1ps2 s ASP 51 CO 0.04 -2.42 0.22 0.68 -0.17 0.00 0.00 175.17 173.51 1ps2 s VAL 52 N -3.75 0.08 0.47 1.11 -7.23 -1.26 -5.06 120.40 104.76 1ps2 s VAL 52 Ca 0.70 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 59.28 1ps2 s VAL 52 Cb -0.06 -1.06 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 1ps2 s VAL 52 CO 0.51 -0.94 0.72 -2.16 -0.31 0.00 0.00 175.10 172.92 1ps2 s PRO 53 N 1.17 3.10 0.11 4.82 0.04 -1.26 -5.03 135.00 137.95 1ps2 s PRO 53 Ca 0.17 -0.34 0.21 0.00 0.04 0.00 0.00 61.00 61.09 1ps2 s PRO 53 Cb -0.22 -2.50 -0.11 0.00 0.04 0.00 0.00 34.50 31.71 1ps2 s PRO 53 CO -0.02 -0.32 0.84 -0.35 0.04 0.00 0.00 177.00 177.19 1ps2 n PRO 54 N -2.17 0.62 -3.86 0.56 -0.04 -1.26 -4.92 135.00 123.94 1ps2 n PRO 54 Ca 0.02 0.06 -0.31 0.00 -0.04 0.00 0.00 63.50 63.23 1ps2 n PRO 54 Cb 0.57 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 1ps2 n PRO 54 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ps2 s GLU 55 N -3.30 3.48 0.08 0.54 8.01 -1.26 -5.11 118.70 121.15 1ps2 s GLU 55 Ca -0.03 -0.37 0.06 0.00 0.01 0.00 0.00 54.97 54.65 1ps2 s GLU 55 Cb 0.10 -2.98 -0.04 0.00 -4.31 0.00 0.00 34.13 26.90 1ps2 s GLU 55 CO 0.82 0.56 -0.09 -1.83 0.01 0.00 0.00 175.26 174.74 1ps2 s GLU 56 N -2.62 2.24 0.52 1.61 1.03 -1.26 -5.13 118.70 115.09 1ps2 s GLU 56 Ca 0.37 -0.95 -0.02 0.00 0.03 0.00 0.00 54.97 54.39 1ps2 s GLU 56 Cb -0.13 -2.36 0.01 0.00 -0.80 0.00 0.00 34.13 30.86 1ps2 s GLU 56 CO 0.27 0.53 0.78 -2.00 -1.33 0.00 0.00 175.26 173.52 1ps2 s GLU 57 N -2.04 2.93 -0.38 -4.83 2.12 -1.26 -5.01 118.70 110.24 1ps2 s GLU 57 Ca 0.21 -0.31 -0.29 0.00 0.36 0.00 0.00 54.97 54.94 1ps2 s GLU 57 Cb -0.11 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.86 1ps2 s GLU 57 CO 0.13 -0.51 1.39 -1.12 -0.54 0.00 0.00 175.26 174.61 1ps2 s SER 58 N -4.28 6.41 0.37 -1.70 0.01 -1.26 -4.99 113.70 108.25 1ps2 s SER 58 Ca 0.52 0.93 0.08 0.00 1.31 0.00 0.00 55.95 58.80 1ps2 s SER 58 Cb -0.10 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.52 1ps2 s SER 58 CO 0.41 -1.35 -0.02 -1.61 0.41 0.00 0.00 173.24 171.08 1ps2 s GLU 59 N 4.76 1.95 0.00 12.44 2.02 -1.26 -5.38 118.70 133.24 1ps2 s GLU 59 Ca 0.60 -1.93 0.01 0.00 0.02 0.00 0.00 54.97 53.67 1ps2 s GLU 59 Cb -0.15 -1.76 0.01 0.00 0.10 0.00 0.00 34.13 32.33 1ps2 s GLU 59 CO 0.30 0.06 0.53 1.19 0.02 0.00 0.00 175.26 177.37