#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 -2.28 -3.39 4.31 0.00 -1.26 -5.10 120.51 112.79 1ps2 n ALA 2 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 53.44 52.31 1ps2 n ALA 2 Cb 0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 19.45 17.27 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 0.50 0.50 0.00 0.00 1.11 -1.26 -4.56 119.66 115.95 1ps2 s GLN 3 Ca 0.30 -0.60 0.00 0.00 0.01 0.00 0.00 55.36 55.07 1ps2 s GLN 3 Cb 0.21 -0.74 0.00 0.00 -1.01 0.00 0.00 33.01 31.47 1ps2 s GLN 3 CO -0.18 -1.13 0.00 0.25 0.01 0.00 0.00 175.29 174.24 1ps2 n THR 4 N 4.67 0.00 -4.08 -0.19 -2.24 -1.26 -4.91 114.28 106.27 1ps2 n THR 4 Ca 0.06 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.49 1ps2 n THR 4 Cb 0.45 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.55 1ps2 n THR 4 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ps2 s GLU 5 N -0.73 3.59 0.02 -0.78 2.02 -1.26 -3.30 118.70 118.26 1ps2 s GLU 5 Ca 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.46 1ps2 s GLU 5 Cb 0.00 -3.06 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 1ps2 s GLU 5 CO 0.00 0.00 -0.03 0.99 0.02 0.00 0.00 175.26 176.24 1ps2 s THR 6 N 1.02 0.15 -0.05 3.63 2.01 -1.26 -5.03 115.64 116.11 1ps2 s THR 6 Ca 0.02 -0.70 0.09 0.00 0.31 0.00 0.00 61.69 61.41 1ps2 s THR 6 Cb -0.14 -0.25 -0.13 0.00 0.01 0.00 0.00 72.50 71.98 1ps2 s THR 6 CO 0.01 -0.35 0.13 0.00 -0.69 0.00 0.00 174.62 173.72 1ps2 s THR 8 N -2.47 3.01 0.33 0.00 -1.32 -1.26 -4.38 115.64 109.54 1ps2 s THR 8 Ca -0.04 0.76 0.07 0.00 -1.21 0.00 0.00 61.69 61.27 1ps2 s THR 8 Cb 0.05 -3.39 -0.03 0.00 -1.51 0.00 0.00 72.50 67.62 1ps2 s THR 8 CO 0.39 -0.01 0.28 -0.69 -2.21 0.00 0.00 174.62 172.38 1ps2 s VAL 9 N -1.52 0.00 -0.23 5.08 1.01 -1.26 -4.68 120.40 118.80 1ps2 s VAL 9 Ca 0.64 -1.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.35 1ps2 s VAL 9 Cb -0.30 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1ps2 s VAL 9 CO 0.36 0.00 2.11 0.00 0.00 0.00 0.00 175.10 177.57 1ps2 s ALA 10 N -3.46 2.80 0.53 5.51 0.00 -1.26 -4.80 121.76 121.07 1ps2 s ALA 10 Ca 0.40 0.69 0.46 0.00 0.00 0.00 0.00 51.96 53.52 1ps2 s ALA 10 Cb 0.02 -4.05 1.68 0.00 0.00 0.00 0.00 23.12 20.77 1ps2 s ALA 10 CO 0.27 -2.70 1.55 -2.30 0.00 0.00 0.00 175.76 172.58 1ps2 n PRO 11 N 8.62 -0.01 0.09 0.00 -0.02 -1.26 0.11 135.00 142.53 1ps2 n PRO 11 Ca 0.28 1.11 -0.23 0.00 -2.02 0.00 0.00 63.50 62.64 1ps2 n PRO 11 Cb 0.45 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 1ps2 n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ps2 h ARG 12 N 0.00 0.42 -1.94 -0.52 3.08 -2.05 -3.35 114.38 110.02 1ps2 h ARG 12 Ca 0.92 -0.71 -0.74 0.00 0.07 0.00 0.00 59.98 59.52 1ps2 h ARG 12 Cb 3.57 0.27 -0.30 0.00 0.08 0.00 0.00 29.97 33.59 1ps2 h ARG 12 CO -0.11 1.33 0.75 0.39 -1.07 0.00 0.00 179.97 181.26 1ps2 n GLU 13 N -3.61 3.05 -3.35 0.04 1.02 0.30 -4.99 120.64 113.10 1ps2 n GLU 13 Ca -0.22 -3.78 -0.38 0.00 -0.02 0.00 0.00 57.16 52.75 1ps2 n GLU 13 Cb 1.08 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 30.16 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 -4.00 4.16 -0.63 3.49 0.52 -0.63 -4.46 118.95 117.40 1ps2 s ARG 14 Ca 0.50 0.54 -0.28 0.00 -0.52 0.00 0.00 55.73 55.98 1ps2 s ARG 14 Cb 0.41 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 32.61 1ps2 s ARG 14 CO -0.36 0.48 1.23 -1.14 0.02 0.00 0.00 175.30 175.53 1ps2 s GLN 15 N -0.47 3.41 -0.09 3.54 2.00 -1.26 -4.96 119.66 121.83 1ps2 s GLN 15 Ca 0.27 0.10 -0.29 0.00 -2.00 0.00 0.00 55.36 53.44 1ps2 s GLN 15 Cb -0.17 -4.07 -0.06 0.00 0.80 0.00 0.00 33.01 29.51 1ps2 s GLN 15 CO 0.14 -1.83 1.93 1.21 -0.50 0.00 0.00 175.29 176.23 1ps2 s ASN 16 N 3.24 6.21 0.00 6.67 3.84 -1.26 -2.59 114.94 131.04 1ps2 s ASN 16 Ca 0.41 2.22 0.24 0.00 0.21 0.00 0.00 52.86 55.93 1ps2 s ASN 16 Cb -0.08 -2.53 0.32 0.00 -0.55 0.00 0.00 41.25 38.42 1ps2 s ASN 16 CO 0.22 -1.31 1.28 0.00 -2.79 0.00 0.00 177.10 174.51 1ps2 n GLY 18 N 1.50 0.69 3.61 0.00 0.00 -1.21 -4.93 105.19 104.84 1ps2 n GLY 18 Ca 0.05 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1ps2 n GLY 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ps2 s PHE 19 N -2.00 1.80 0.09 1.61 -0.71 -1.26 -4.63 117.98 112.87 1ps2 s PHE 19 Ca 0.00 1.19 0.07 0.00 -1.04 0.00 0.00 56.93 57.15 1ps2 s PHE 19 Cb 0.00 -3.18 -0.22 0.00 -1.21 0.00 0.00 43.02 38.41 1ps2 s PHE 19 CO 0.00 -3.20 1.17 -1.00 -1.34 0.00 0.00 175.22 170.85 1ps2 h PRO 20 N -2.13 0.02 0.00 1.99 0.13 -1.95 -3.25 132.00 126.81 1ps2 h PRO 20 Ca -0.55 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1ps2 h PRO 20 Cb 1.32 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ps2 h PRO 20 CO 0.53 0.94 0.05 0.41 -0.23 0.00 0.00 178.00 179.69 1ps2 n GLY 21 N 1.40 -0.51 0.63 1.56 0.00 -1.26 -4.64 105.19 102.37 1ps2 n GLY 21 Ca -0.03 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.57 0.00 -3.86 1.61 0.24 -1.23 -5.07 118.33 108.46 1ps2 n VAL 22 Ca -0.00 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1ps2 n VAL 22 Cb 0.05 -0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 32.10 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 -1.23 0.13 0.38 3.34 -4.23 -1.26 -5.01 115.64 107.77 1ps2 s THR 23 Ca 0.13 -1.04 0.33 0.00 -1.18 0.00 0.00 61.69 59.93 1ps2 s THR 23 Cb -0.02 -1.12 0.49 0.00 1.34 0.00 0.00 72.50 73.20 1ps2 s THR 23 CO 0.11 -0.58 1.16 -2.65 -0.54 0.00 0.00 174.62 172.12 1ps2 n PRO 24 N 0.34 -0.01 -0.04 3.99 -0.01 -1.26 0.11 135.00 138.12 1ps2 n PRO 24 Ca -0.17 0.84 -0.13 0.00 -0.01 0.00 0.00 63.50 64.03 1ps2 n PRO 24 Cb 0.60 -1.85 -0.11 0.00 -0.01 0.00 0.00 33.50 32.13 1ps2 n PRO 24 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1ps2 h SER 25 N 0.00 -0.01 -0.18 2.55 4.64 -1.95 -1.04 113.55 117.56 1ps2 h SER 25 Ca 0.68 -0.75 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1ps2 h SER 25 Cb 2.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.67 1ps2 h SER 25 CO -0.12 0.75 0.10 1.56 -0.87 0.00 0.00 176.83 178.26 1ps2 h GLN 26 N -0.77 0.25 0.00 4.77 4.20 0.35 0.28 115.11 124.19 1ps2 h GLN 26 Ca -0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1ps2 h GLN 26 Cb 0.75 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1ps2 h GLN 26 CO 0.00 0.25 -0.20 0.00 -0.67 0.00 0.00 178.83 178.21 1ps2 n ALA 28 N -2.43 2.95 0.11 0.00 0.00 -0.39 -1.73 120.51 119.01 1ps2 n ALA 28 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.04 1ps2 n ALA 28 Cb 0.27 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.57 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 0.94 0.01 0.00 0.00 -0.73 0.11 -3.34 115.58 112.56 1ps2 h ASN 29 Ca 0.00 -0.01 -0.34 0.00 1.87 0.00 0.00 56.30 57.83 1ps2 h ASN 29 Cb 0.45 -0.00 -0.06 0.00 0.27 0.00 0.00 38.32 38.98 1ps2 h ASN 29 CO 0.00 0.76 -2.27 0.29 -0.37 0.00 0.00 177.43 175.83 1ps2 n LYS 30 N -3.65 0.56 0.00 6.67 4.76 -1.24 -5.03 118.16 120.23 1ps2 n LYS 30 Ca -0.01 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1ps2 n LYS 30 Cb 0.73 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 1ps2 n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ps2 n GLY 31 N 2.39 1.07 3.82 0.72 0.00 -1.09 -5.13 105.19 106.97 1ps2 n GLY 31 Ca -0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 5.25 3.29 -0.10 0.00 2.19 -1.26 -2.46 117.98 124.90 1ps2 s PHE 34 Ca 0.80 0.63 -0.01 0.00 0.33 0.00 0.00 56.93 58.68 1ps2 s PHE 34 Cb -0.32 -2.68 0.03 0.00 -1.31 0.00 0.00 43.02 38.74 1ps2 s PHE 34 CO 0.33 -0.22 -0.01 0.34 1.83 0.00 0.00 175.22 177.49 1ps2 s ASP 35 N 1.45 1.91 -0.81 6.13 2.15 -0.01 -4.98 116.67 122.50 1ps2 s ASP 35 Ca 0.21 -0.24 0.02 0.00 0.43 0.00 0.00 52.55 52.97 1ps2 s ASP 35 Cb -0.16 -0.55 0.31 0.00 -0.30 0.00 0.00 42.92 42.23 1ps2 s ASP 35 CO 0.09 -0.20 1.23 -0.90 -0.17 0.00 0.00 175.17 175.23 1ps2 n ASP 36 N 5.09 5.44 -0.04 -0.34 5.75 -1.26 -4.17 116.55 127.02 1ps2 n ASP 36 Ca -0.08 -3.57 -0.09 0.00 -0.01 0.00 0.00 54.79 51.04 1ps2 n ASP 36 Cb 0.50 -0.89 -0.03 0.00 -1.03 0.00 0.00 41.12 39.67 1ps2 n ASP 36 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1ps2 n THR 37 N 0.39 0.44 -3.80 2.12 -2.24 -1.26 -5.00 114.28 104.92 1ps2 n THR 37 Ca 0.34 -0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.65 1ps2 n THR 37 Cb 0.35 -1.58 -0.07 0.00 -2.10 0.00 0.00 70.33 66.92 1ps2 n THR 37 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ps2 s VAL 38 N -2.15 5.41 0.83 2.28 1.01 -1.26 -5.10 120.40 121.42 1ps2 s VAL 38 Ca -0.11 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1ps2 s VAL 38 Cb 0.04 -3.43 0.15 0.00 0.00 0.00 0.00 36.38 33.14 1ps2 s VAL 38 CO 0.14 0.51 1.15 -0.60 0.00 0.00 0.00 175.10 176.29 1ps2 s ARG 39 N -0.14 1.33 0.00 2.72 6.06 -1.26 -4.16 118.95 123.50 1ps2 s ARG 39 Ca 0.10 -0.61 0.00 0.00 -2.50 0.00 0.00 55.73 52.72 1ps2 s ARG 39 Cb -0.11 -2.08 0.00 0.00 0.06 0.00 0.00 34.95 32.82 1ps2 s ARG 39 CO 0.00 -1.84 0.00 0.41 -2.50 0.00 0.00 175.30 171.38 1ps2 n GLY 40 N -3.27 1.49 3.91 8.12 0.00 -1.26 -4.93 105.19 109.24 1ps2 n GLY 40 Ca 0.14 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.01 2.14 -0.17 1.61 -7.23 -1.26 -5.03 120.40 110.45 1ps2 s VAL 41 Ca 0.00 -0.05 -0.23 0.00 -1.81 0.00 0.00 61.98 59.89 1ps2 s VAL 41 Cb 0.00 -3.02 -0.02 0.00 0.56 0.00 0.00 36.38 33.90 1ps2 s VAL 41 CO 0.00 -0.03 0.74 -2.16 -0.31 0.00 0.00 175.10 173.34 1ps2 s PRO 42 N -5.48 4.28 0.22 4.82 0.05 -1.26 -4.97 135.00 132.66 1ps2 s PRO 42 Ca 0.61 0.84 -0.04 0.00 0.05 0.00 0.00 61.00 62.46 1ps2 s PRO 42 Cb -0.11 -3.56 0.20 0.00 0.05 0.00 0.00 34.50 31.08 1ps2 s PRO 42 CO 0.48 -0.24 1.65 -1.49 0.05 0.00 0.00 177.00 177.45 1ps2 h TRP 43 N 7.32 0.89 -3.56 0.56 6.55 -1.88 -3.39 115.95 122.44 1ps2 h TRP 43 Ca -0.32 -0.19 -0.62 0.00 0.95 0.00 0.00 58.89 58.71 1ps2 h TRP 43 Cb 1.14 -0.22 -0.13 0.00 -0.86 0.00 0.00 29.16 29.10 1ps2 h TRP 43 CO 0.71 0.91 0.41 0.00 -1.05 0.00 0.00 178.44 179.41 1ps2 s PHE 45 N 3.43 0.96 0.74 0.00 -0.71 -1.03 -1.08 117.98 120.30 1ps2 s PHE 45 Ca 0.30 -1.24 -0.08 0.00 -1.04 0.00 0.00 56.93 54.87 1ps2 s PHE 45 Cb -0.12 0.01 0.07 0.00 -1.21 0.00 0.00 43.02 41.77 1ps2 s PHE 45 CO 0.22 -1.18 1.07 0.71 -1.34 0.00 0.00 175.22 174.70 1ps2 s TYR 46 N -2.98 2.88 0.00 3.49 1.51 -1.07 -0.43 117.35 120.74 1ps2 s TYR 46 Ca 0.29 0.52 0.00 0.00 -1.01 0.00 0.00 57.07 56.87 1ps2 s TYR 46 Cb -0.01 -3.31 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 1ps2 s TYR 46 CO 0.19 -1.55 0.00 -0.35 -1.11 0.00 0.00 175.55 172.73 1ps2 n PRO 47 N -3.06 0.98 -2.71 -1.71 -0.05 -1.26 -4.67 135.00 122.51 1ps2 n PRO 47 Ca 0.08 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.49 1ps2 n PRO 47 Cb 0.61 0.00 0.03 0.00 -0.05 0.00 0.00 33.50 34.08 1ps2 n PRO 47 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1ps2 n ASN 48 N -2.50 -2.36 -4.83 3.54 4.13 -0.75 -4.97 115.26 107.53 1ps2 n ASN 48 Ca 0.00 -1.91 -0.37 0.00 1.68 0.00 0.00 54.58 53.98 1ps2 n ASN 48 Cb 0.00 1.21 -0.06 0.00 -1.54 0.00 0.00 39.78 39.39 1ps2 n ASN 48 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1ps2 s THR 49 N 0.89 5.39 0.61 3.41 -4.23 -1.25 -4.22 115.64 116.24 1ps2 s THR 49 Ca 0.27 0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1ps2 s THR 49 Cb 0.08 -3.49 0.05 0.00 1.34 0.00 0.00 72.50 70.48 1ps2 s THR 49 CO -0.09 0.56 0.86 -0.63 -0.54 0.00 0.00 174.62 174.79 1ps2 s ILE 50 N -0.65 2.51 0.91 2.99 1.01 -1.21 -4.99 121.20 121.77 1ps2 s ILE 50 Ca 0.15 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 1ps2 s ILE 50 Cb -0.13 -2.99 0.16 0.00 0.01 0.00 0.00 42.46 39.52 1ps2 s ILE 50 CO 0.05 0.00 1.27 -1.81 0.00 0.00 0.00 174.94 174.45 1ps2 s ASP 51 N -4.47 3.58 0.23 3.58 1.11 -1.26 -4.21 116.67 115.22 1ps2 s ASP 51 Ca 0.59 0.43 0.11 0.00 0.18 0.00 0.00 52.55 53.85 1ps2 s ASP 51 Cb -0.10 -0.62 -0.05 0.00 1.07 0.00 0.00 42.92 43.22 1ps2 s ASP 51 CO 0.41 -2.46 -0.20 0.68 1.18 0.00 0.00 175.17 174.78 1ps2 s VAL 52 N -3.78 2.23 0.15 -1.27 -7.23 -1.26 -4.27 120.40 104.97 1ps2 s VAL 52 Ca 0.70 -2.22 -0.28 0.00 -1.81 0.00 0.00 61.98 58.37 1ps2 s VAL 52 Cb -0.06 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.66 1ps2 s VAL 52 CO 0.52 -0.35 1.41 -2.65 -0.31 0.00 0.00 175.10 173.72 1ps2 n PRO 53 N -0.24 -0.40 -1.06 4.82 -0.01 -1.26 -4.65 135.00 132.20 1ps2 n PRO 53 Ca -0.08 1.39 -0.41 0.00 -0.01 0.00 0.00 63.50 64.38 1ps2 n PRO 53 Cb 0.59 -2.04 -0.06 0.00 -0.01 0.00 0.00 33.50 31.98 1ps2 n PRO 53 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1ps2 n PRO 54 N -5.11 0.00 -2.57 0.52 -0.01 -1.26 -4.87 135.00 121.70 1ps2 n PRO 54 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 63.50 63.10 1ps2 n PRO 54 Cb 0.24 -1.02 -0.04 0.00 -0.01 0.00 0.00 33.50 32.66 1ps2 n PRO 54 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 175.50 173.49 1ps2 s GLU 55 N 0.40 4.62 0.09 -0.52 2.56 -1.26 -5.04 118.70 119.54 1ps2 s GLU 55 Ca 0.64 1.65 0.09 0.00 0.00 0.00 0.00 54.97 57.35 1ps2 s GLU 55 Cb -0.90 -3.30 -0.03 0.00 2.00 0.00 0.00 34.13 31.90 1ps2 s GLU 55 CO 0.42 0.10 -0.23 -1.83 -0.56 0.00 0.00 175.26 173.16 1ps2 s GLU 56 N -0.23 1.35 -0.11 4.30 -1.05 -1.26 -5.13 118.70 116.57 1ps2 s GLU 56 Ca 0.49 -1.15 -0.05 0.00 -0.15 0.00 0.00 54.97 54.11 1ps2 s GLU 56 Cb -0.28 -1.63 -0.04 0.00 -0.44 0.00 0.00 34.13 31.74 1ps2 s GLU 56 CO 0.33 0.40 0.10 -1.21 0.95 0.00 0.00 175.26 175.83 1ps2 s GLU 57 N -1.67 3.31 -0.06 -4.83 2.02 -1.26 -5.06 118.70 111.15 1ps2 s GLU 57 Ca 0.09 -0.21 -0.30 0.00 0.02 0.00 0.00 54.97 54.57 1ps2 s GLU 57 Cb -0.10 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1ps2 s GLU 57 CO 0.04 0.75 1.37 -1.12 0.02 0.00 0.00 175.26 176.32 1ps2 s SER 58 N -0.97 6.88 -0.15 -0.19 0.01 -1.26 -4.99 113.70 113.03 1ps2 s SER 58 Ca 0.14 1.97 -0.05 0.00 1.31 0.00 0.00 55.95 59.33 1ps2 s SER 58 Cb -0.12 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.64 1ps2 s SER 58 CO 0.03 -0.74 0.27 -0.70 0.41 0.00 0.00 173.24 172.51 1ps2 s GLU 59 N 2.93 0.17 0.00 12.44 2.12 -1.26 -5.38 118.70 129.72 1ps2 s GLU 59 Ca 0.62 0.65 0.00 0.00 0.36 0.00 0.00 54.97 56.60 1ps2 s GLU 59 Cb -0.28 -0.25 0.00 0.00 0.26 0.00 0.00 34.13 33.86 1ps2 s GLU 59 CO 0.23 -0.37 0.00 1.19 -0.54 0.00 0.00 175.26 175.77