#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi2 s SER 2 N 0.00 -0.57 0.05 1.61 0.01 -1.26 -5.18 113.70 108.36 1wi2 s SER 2 Ca 0.00 0.66 -0.28 0.00 1.31 0.00 0.00 55.95 57.63 1wi2 s SER 2 Cb 0.00 0.51 0.10 0.00 0.21 0.00 0.00 66.02 66.84 1wi2 s SER 2 CO 0.00 -0.50 1.17 -0.55 0.41 0.00 0.00 173.24 173.77 1wi2 s SER 3 N -1.07 -0.09 0.00 2.44 0.15 -1.26 -5.18 113.70 108.70 1wi2 s SER 3 Ca -0.07 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1wi2 s SER 3 Cb -0.00 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1wi2 s SER 3 CO 0.07 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1wi2 n GLY 4 N -0.51 3.10 3.50 9.45 0.00 -1.26 -5.17 105.19 114.30 1wi2 n GLY 4 Ca -0.07 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 1wi2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wi2 s SER 5 N 0.10 0.07 0.12 1.61 1.04 -1.26 -5.18 113.70 110.21 1wi2 s SER 5 Ca 0.00 -1.09 0.05 0.00 0.48 0.00 0.00 55.95 55.39 1wi2 s SER 5 Cb 0.00 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 1wi2 s SER 5 CO 0.00 -1.11 -0.12 -0.55 0.98 0.00 0.00 173.24 172.44 1wi2 s SER 6 N -3.07 1.82 0.00 7.02 0.15 -1.26 -5.13 113.70 113.24 1wi2 s SER 6 Ca 0.27 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1wi2 s SER 6 Cb 0.01 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1wi2 s SER 6 CO 0.11 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1wi2 n GLY 7 N 0.39 -0.38 3.56 9.45 0.00 -1.26 -5.18 105.19 111.76 1wi2 n GLY 7 Ca -0.14 0.81 -0.08 0.00 0.00 0.00 0.00 46.02 46.61 1wi2 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wi2 s ASN 8 N 0.00 -0.34 -0.29 1.61 0.01 -1.26 -5.07 114.94 109.60 1wi2 s ASN 8 Ca 0.00 -0.10 -0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1wi2 s ASN 8 Cb 0.00 0.43 0.00 0.00 0.41 0.00 0.00 41.25 42.09 1wi2 s ASN 8 CO 0.00 -0.73 0.00 -3.20 -1.51 0.00 0.00 177.10 171.67 1wi2 n ASN 9 N -0.31 -7.73 0.00 -1.22 5.15 -1.26 -5.07 115.26 104.81 1wi2 n ASN 9 Ca -0.09 1.37 0.00 0.00 -0.60 0.00 0.00 54.58 55.26 1wi2 n ASN 9 Cb 0.62 -5.13 0.00 0.00 -0.53 0.00 0.00 39.78 34.74 1wi2 n ASN 9 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1wi2 n GLU 10 N 0.67 3.90 -3.22 1.20 2.13 -1.26 -4.98 120.64 119.08 1wi2 n GLU 10 Ca -0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 1wi2 n GLU 10 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.73 1wi2 n GLU 10 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1wi2 n LEU 11 N 0.00 -4.64 -4.24 4.31 4.32 -1.26 -4.99 117.00 110.50 1wi2 n LEU 11 Ca 0.00 0.23 -0.28 0.00 -0.02 0.00 0.00 56.01 55.94 1wi2 n LEU 11 Cb 0.00 -2.26 -0.16 0.00 -1.62 0.00 0.00 43.42 39.39 1wi2 n LEU 11 CO 0.00 -1.11 -0.54 0.28 -1.22 0.00 0.00 177.39 174.80 1wi2 s THR 12 N -1.75 1.74 0.00 -5.08 -1.32 -1.26 -4.94 115.64 103.04 1wi2 s THR 12 Ca 0.27 -0.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1wi2 s THR 12 Cb -0.04 -1.45 0.00 0.00 -1.51 0.00 0.00 72.50 69.50 1wi2 s THR 12 CO 0.73 0.49 0.00 0.00 -2.21 0.00 0.00 174.62 173.63 1wi2 n GLN 13 N 2.53 0.00 -2.69 7.08 10.64 -1.26 -5.00 117.38 128.68 1wi2 n GLN 13 Ca -0.15 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 54.94 1wi2 n GLN 13 Cb 0.52 0.00 0.10 0.00 -0.86 0.00 0.00 30.24 30.00 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1wi2 n PHE 14 N -1.47 -1.70 -3.63 2.61 3.72 -1.26 -5.13 117.46 110.61 1wi2 n PHE 14 Ca 0.00 -2.10 -0.31 0.00 -0.05 0.00 0.00 57.45 54.99 1wi2 n PHE 14 Cb 0.00 1.19 -0.04 0.00 -0.94 0.00 0.00 39.48 39.68 1wi2 n PHE 14 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wi2 s LEU 15 N -3.20 4.24 0.54 4.37 1.43 -1.26 -5.08 118.68 119.72 1wi2 s LEU 15 Ca 0.23 0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.76 1wi2 s LEU 15 Cb 0.41 -3.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.23 1wi2 s LEU 15 CO -0.06 0.01 1.04 -2.16 0.23 0.00 0.00 176.35 175.41 1wi2 s PRO 16 N -2.82 3.56 0.69 1.29 0.04 -1.26 -5.01 135.00 131.48 1wi2 s PRO 16 Ca 0.42 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 1wi2 s PRO 16 Cb -0.12 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1wi2 s PRO 16 CO 0.25 -0.61 1.08 -0.98 0.04 0.00 0.00 177.00 176.77 1wi2 s ARG 17 N -3.75 2.94 0.12 4.56 1.70 0.51 -4.73 118.95 120.30 1wi2 s ARG 17 Ca 0.65 0.46 0.03 0.00 -0.47 0.00 0.00 55.73 56.39 1wi2 s ARG 17 Cb -0.16 -2.05 -0.04 0.00 -0.57 0.00 0.00 34.95 32.14 1wi2 s ARG 17 CO 0.30 -0.96 0.18 0.42 -1.08 0.00 0.00 175.30 174.16 1wi2 s ILE 18 N -3.31 4.92 -0.32 4.99 -1.09 -1.26 0.68 121.20 125.80 1wi2 s ILE 18 Ca 0.57 -0.75 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1wi2 s ILE 18 Cb -0.11 -3.46 0.12 0.00 -1.58 0.00 0.00 42.46 37.43 1wi2 s ILE 18 CO 0.51 0.01 0.16 -0.69 -1.23 0.00 0.00 174.94 173.71 1wi2 s VAL 19 N -1.61 0.09 -0.15 2.92 1.01 0.11 -4.88 120.40 117.90 1wi2 s VAL 19 Ca 0.32 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1wi2 s VAL 19 Cb -0.11 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1wi2 s VAL 19 CO 0.25 -0.84 0.11 -0.89 0.00 0.00 0.00 175.10 173.74 1wi2 s THR 20 N 1.61 5.28 0.32 3.92 2.01 -1.26 -2.34 115.64 125.18 1wi2 s THR 20 Ca 0.13 0.13 0.10 0.00 0.31 0.00 0.00 61.69 62.36 1wi2 s THR 20 Cb -0.19 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 68.92 1wi2 s THR 20 CO -0.20 0.54 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.97 1wi2 s LEU 21 N -0.37 2.81 -0.12 4.42 2.96 -0.83 -4.94 118.68 122.61 1wi2 s LEU 21 Ca 0.11 -1.04 -0.08 0.00 -0.22 0.00 0.00 54.13 52.89 1wi2 s LEU 21 Cb -0.12 -1.19 -0.06 0.00 0.50 0.00 0.00 46.19 45.32 1wi2 s LEU 21 CO 0.01 -0.13 -0.20 1.17 -1.32 0.00 0.00 176.35 175.89 1wi2 n LYS 22 N -0.80 0.31 -2.15 1.98 4.81 -1.26 -3.56 118.16 117.50 1wi2 n LYS 22 Ca -0.05 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1wi2 n LYS 22 Cb 0.62 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.64 1wi2 n LYS 22 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1wi2 n LYS 23 N -3.79 -5.81 -1.54 1.64 4.81 -1.26 -4.86 118.16 107.35 1wi2 n LYS 23 Ca -0.23 4.10 -0.29 0.00 -0.87 0.00 0.00 58.31 61.02 1wi2 n LYS 23 Cb 0.58 -4.46 0.14 0.00 0.02 0.00 0.00 35.03 31.31 1wi2 n LYS 23 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1wi2 s PRO 24 N -0.54 1.09 -0.47 1.64 0.04 -1.26 -4.96 135.00 130.54 1wi2 s PRO 24 Ca 0.00 0.27 -0.28 0.00 0.04 0.00 0.00 61.00 61.02 1wi2 s PRO 24 Cb 0.00 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.71 1wi2 s PRO 24 CO 0.00 -2.22 1.45 -1.25 0.04 0.00 0.00 177.00 175.01 1wi2 s PRO 25 N -5.30 3.42 0.00 0.56 0.04 -1.26 -2.76 135.00 129.70 1wi2 s PRO 25 Ca 0.64 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1wi2 s PRO 25 Cb -0.14 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1wi2 s PRO 25 CO 0.53 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1wi2 n GLY 26 N 5.19 1.28 0.00 0.56 0.00 -1.26 -5.10 105.19 105.86 1wi2 n GLY 26 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1wi2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wi2 n ALA 27 N -0.90 0.00 -2.53 4.61 0.00 -1.11 -5.16 120.51 115.42 1wi2 n ALA 27 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1wi2 n ALA 27 Cb 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.49 1wi2 n ALA 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wi2 s GLN 28 N -1.68 1.03 0.00 0.00 -0.21 -1.26 -5.00 119.66 112.54 1wi2 s GLN 28 Ca 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.18 1wi2 s GLN 28 Cb 0.00 -1.00 0.00 0.00 1.00 0.00 0.00 33.01 33.01 1wi2 s GLN 28 CO 0.00 0.20 0.54 -0.11 -2.12 0.00 0.00 175.29 173.80 1wi2 n LEU 29 N 0.71 0.00 0.00 2.90 7.94 -1.26 -4.89 117.00 122.40 1wi2 n LEU 29 Ca -0.17 0.54 0.00 0.00 -1.11 0.00 0.00 56.01 55.27 1wi2 n LEU 29 Cb 0.56 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1wi2 n LEU 29 CO 0.26 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 1wi2 n GLY 30 N -0.99 0.80 3.42 -3.96 0.00 -1.26 -4.68 105.19 98.52 1wi2 n GLY 30 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1wi2 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wi2 s PHE 31 N -1.68 -0.53 0.33 1.61 -0.71 -1.26 0.20 117.98 115.95 1wi2 s PHE 31 Ca 0.00 0.32 0.09 0.00 -1.04 0.00 0.00 56.93 56.30 1wi2 s PHE 31 Cb 0.00 0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 42.30 1wi2 s PHE 31 CO 0.00 -0.84 0.02 -0.80 -1.34 0.00 0.00 175.22 172.26 1wi2 s ASN 32 N -2.73 4.28 0.07 1.98 0.01 0.25 -4.93 114.94 113.86 1wi2 s ASN 32 Ca 0.01 -0.92 0.08 0.00 -0.71 0.00 0.00 52.86 51.32 1wi2 s ASN 32 Cb -0.01 -0.59 -0.03 0.00 0.41 0.00 0.00 41.25 41.03 1wi2 s ASN 32 CO -0.13 -0.21 -0.21 0.27 -1.51 0.00 0.00 177.10 175.32 1wi2 s ILE 33 N -2.48 1.70 0.22 0.60 -5.25 -1.26 -0.55 121.20 114.18 1wi2 s ILE 33 Ca 0.35 -1.33 -0.00 0.00 -0.99 0.00 0.00 60.65 58.67 1wi2 s ILE 33 Cb -0.01 -1.50 -0.04 0.00 2.95 0.00 0.00 42.46 43.85 1wi2 s ILE 33 CO 0.20 0.12 0.12 0.00 -1.79 0.00 0.00 174.94 173.58 1wi2 s ARG 34 N -1.44 1.27 0.00 0.37 1.70 -0.82 -4.72 118.95 115.31 1wi2 s ARG 34 Ca 0.07 -1.67 0.00 0.00 -0.47 0.00 0.00 55.73 53.66 1wi2 s ARG 34 Cb -0.09 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.37 1wi2 s ARG 34 CO 0.03 -0.35 0.00 0.41 -1.08 0.00 0.00 175.30 174.30 1wi2 n GLY 35 N -0.33 1.64 0.51 3.88 0.00 -1.26 -1.71 105.19 107.91 1wi2 n GLY 35 Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1wi2 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wi2 n GLY 36 N 1.71 -1.70 1.22 -0.02 0.00 -1.25 -4.57 105.19 100.59 1wi2 n GLY 36 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1wi2 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wi2 n LYS 37 N 1.06 0.00 0.00 1.61 4.76 -1.26 -4.76 118.16 119.57 1wi2 n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1wi2 n LYS 37 Cb 0.00 -0.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.83 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wi2 n ALA 38 N -3.39 0.06 -0.37 7.82 0.00 -1.26 -5.00 120.51 118.36 1wi2 n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wi2 n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wi2 n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wi2 n SER 39 N -2.51 0.00 0.00 0.00 2.88 -1.26 -4.95 113.62 107.78 1wi2 n SER 39 Ca 0.00 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1wi2 n SER 39 Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1wi2 n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wi2 n GLN 40 N -1.83 0.00 0.00 -1.46 -0.00 -1.26 -5.10 117.38 107.72 1wi2 n GLN 40 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1wi2 n GLN 40 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 1wi2 n GLN 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1wi2 n LEU 41 N 0.00 0.00 -3.57 2.61 7.94 -1.26 -4.34 117.00 118.38 1wi2 n LEU 41 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 1wi2 n LEU 41 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 1wi2 n LEU 41 CO 0.00 0.00 0.48 -0.83 -1.11 0.00 0.00 177.39 175.93 1wi2 s GLY 42 N 0.00 -0.44 0.20 -3.96 0.00 -1.26 -4.51 107.32 97.35 1wi2 s GLY 42 Ca 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 44.72 44.97 1wi2 s GLY 42 CO 0.00 0.11 0.49 -0.42 0.00 0.00 0.00 173.10 173.28 1wi2 s ILE 43 N -3.67 5.01 -0.17 0.90 -1.09 -1.22 -3.79 121.20 117.17 1wi2 s ILE 43 Ca 0.05 0.34 -0.16 0.00 -2.23 0.00 0.00 60.65 58.65 1wi2 s ILE 43 Cb -0.02 -3.62 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 1wi2 s ILE 43 CO -0.06 -0.02 0.46 -0.36 -1.23 0.00 0.00 174.94 173.73 1wi2 s PHE 44 N -1.75 -0.51 -0.61 3.97 0.40 -0.70 -1.72 117.98 117.07 1wi2 s PHE 44 Ca 0.45 1.25 -0.31 0.00 -0.60 0.00 0.00 56.93 57.72 1wi2 s PHE 44 Cb -0.12 0.17 -0.13 0.00 0.51 0.00 0.00 43.02 43.45 1wi2 s PHE 44 CO 0.22 -0.25 2.43 -0.89 0.70 0.00 0.00 175.22 177.44 1wi2 n ILE 45 N 2.83 0.03 0.30 0.64 2.08 -1.00 -1.94 119.36 122.30 1wi2 n ILE 45 Ca -0.13 -0.36 -0.14 0.00 0.56 0.00 0.00 62.75 62.68 1wi2 n ILE 45 Cb 0.57 -1.67 -0.07 0.00 -0.75 0.00 0.00 39.64 37.72 1wi2 n ILE 45 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1wi2 h SER 46 N 14.73 -0.68 -5.06 4.38 4.64 -1.11 -3.05 113.55 127.40 1wi2 h SER 46 Ca -0.19 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 60.99 1wi2 h SER 46 Cb 1.30 0.17 -0.18 0.00 -0.31 0.00 0.00 62.40 63.39 1wi2 h SER 46 CO 1.19 -0.30 -0.46 -0.75 -0.87 0.00 0.00 176.83 175.64 1wi2 s LYS 47 N -4.56 0.61 -0.03 4.77 2.20 -1.19 -4.87 119.74 116.66 1wi2 s LYS 47 Ca -0.14 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1wi2 s LYS 47 Cb 0.02 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1wi2 s LYS 47 CO 0.43 -0.16 -0.05 0.08 -0.36 0.00 0.00 175.35 175.29 1wi2 s VAL 48 N -2.36 0.56 0.06 4.02 1.01 -1.26 0.84 120.40 123.26 1wi2 s VAL 48 Ca -0.07 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 1wi2 s VAL 48 Cb -0.02 -0.55 -0.08 0.00 0.00 0.00 0.00 36.38 35.73 1wi2 s VAL 48 CO -0.03 0.21 1.60 -0.63 0.00 0.00 0.00 175.10 176.25 1wi2 s ILE 49 N 0.64 3.16 -1.15 2.22 -1.09 0.53 -4.86 121.20 120.66 1wi2 s ILE 49 Ca -0.09 0.61 -0.07 0.00 -2.23 0.00 0.00 60.65 58.87 1wi2 s ILE 49 Cb -0.12 -3.39 -0.08 0.00 -1.58 0.00 0.00 42.46 37.29 1wi2 s ILE 49 CO 0.00 -0.00 2.50 -0.81 -1.23 0.00 0.00 174.94 175.40 1wi2 n PRO 50 N 5.51 2.71 0.00 2.79 -0.04 -1.26 -2.78 135.00 141.92 1wi2 n PRO 50 Ca 0.15 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1wi2 n PRO 50 Cb 0.41 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1wi2 n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wi2 n ASP 51 N 3.85 0.00 -1.81 3.54 8.00 -1.26 -5.14 116.55 123.74 1wi2 n ASP 51 Ca 0.58 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 56.06 1wi2 n ASP 51 Cb 0.20 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wi2 n SER 52 N 0.00 1.33 0.07 -2.24 3.41 -1.12 -5.03 113.62 110.04 1wi2 n SER 52 Ca 0.00 -1.15 -0.10 0.00 -0.26 0.00 0.00 58.87 57.36 1wi2 n SER 52 Cb 0.00 0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 1wi2 n SER 52 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1wi2 h ASP 53 N 0.10 0.15 -0.33 4.04 3.32 -1.90 -3.22 116.42 118.59 1wi2 h ASP 53 Ca -0.02 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.71 1wi2 h ASP 53 Cb 0.09 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1wi2 h ASP 53 CO 0.04 1.13 -0.38 0.00 -1.72 0.00 0.00 179.24 178.30 1wi2 h ALA 54 N 0.85 0.49 -0.53 3.45 0.00 -1.89 0.52 119.26 122.15 1wi2 h ALA 54 Ca -0.06 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.50 1wi2 h ALA 54 Cb 1.85 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.46 1wi2 h ALA 54 CO 0.15 0.58 0.06 1.25 0.00 0.00 0.00 179.25 181.30 1wi2 h HIS 55 N 0.62 0.08 0.12 0.00 6.17 -1.76 -1.19 115.15 119.19 1wi2 h HIS 55 Ca 0.04 0.04 -0.29 0.00 0.71 0.00 0.00 60.37 60.87 1wi2 h HIS 55 Cb 0.97 0.04 0.03 0.00 2.52 0.00 0.00 27.41 30.97 1wi2 h HIS 55 CO 0.07 -0.07 -1.24 0.00 0.71 0.00 0.00 177.93 177.41 1wi2 h ARG 56 N 0.19 0.58 -1.56 5.26 -0.00 -1.55 -3.19 114.38 114.11 1wi2 h ARG 56 Ca 0.27 -0.78 0.45 0.00 -0.50 0.00 0.00 59.98 59.43 1wi2 h ARG 56 Cb 0.40 0.26 -0.06 0.00 0.00 0.00 0.00 29.97 30.57 1wi2 h ARG 56 CO -0.39 1.35 1.12 0.00 0.00 0.00 0.00 179.97 182.04 1wi2 h ALA 57 N 0.35 3.46 0.00 0.04 0.00 0.94 -3.43 119.26 120.63 1wi2 h ALA 57 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1wi2 h ALA 57 Cb 1.91 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1wi2 h ALA 57 CO 0.23 -1.91 0.00 0.41 0.00 0.00 0.00 179.25 177.98 1wi2 n GLY 58 N -1.84 1.87 3.82 0.00 0.00 -0.79 -5.00 105.19 103.25 1wi2 n GLY 58 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 1wi2 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wi2 s LEU 59 N 0.00 4.41 -0.09 0.99 1.02 -0.54 -5.06 118.68 119.42 1wi2 s LEU 59 Ca 0.00 1.28 -0.08 0.00 0.02 0.00 0.00 54.13 55.35 1wi2 s LEU 59 Cb 0.00 -3.27 0.02 0.00 0.02 0.00 0.00 46.19 42.96 1wi2 s LEU 59 CO 0.00 0.13 0.23 -1.10 0.02 0.00 0.00 176.35 175.64 1wi2 s GLN 60 N -1.67 0.27 -0.42 1.70 -0.21 -1.26 -4.73 119.66 113.33 1wi2 s GLN 60 Ca 0.37 0.34 -0.33 0.00 0.02 0.00 0.00 55.36 55.76 1wi2 s GLN 60 Cb -0.17 0.11 -0.11 0.00 1.00 0.00 0.00 33.01 33.84 1wi2 s GLN 60 CO 0.20 -0.04 2.28 0.39 -2.12 0.00 0.00 175.29 175.99 1wi2 n GLU 61 N 3.06 1.03 0.00 2.91 1.02 -1.26 -0.36 120.64 127.04 1wi2 n GLU 61 Ca -0.14 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1wi2 n GLU 61 Cb 0.58 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 1wi2 n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wi2 n GLY 62 N 6.41 1.23 3.48 0.62 0.00 -1.15 -5.00 105.19 110.78 1wi2 n GLY 62 Ca 0.42 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.97 1wi2 n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wi2 n ASP 63 N 0.00 2.14 -4.72 1.61 8.00 0.51 -4.65 116.55 119.44 1wi2 n ASP 63 Ca 0.00 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.33 1wi2 n ASP 63 Cb 0.00 -1.31 -0.03 0.00 -0.02 0.00 0.00 41.12 39.76 1wi2 n ASP 63 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wi2 s GLN 64 N 6.71 4.30 -0.83 -1.24 0.74 -1.23 -2.37 119.66 125.74 1wi2 s GLN 64 Ca 1.09 2.16 -0.19 0.00 0.05 0.00 0.00 55.36 58.47 1wi2 s GLN 64 Cb -0.74 -3.20 0.12 0.00 1.10 0.00 0.00 33.01 30.28 1wi2 s GLN 64 CO 0.45 -0.45 1.03 0.08 -0.55 0.00 0.00 175.29 175.85 1wi2 s VAL 65 N 0.85 4.68 0.03 1.34 1.01 -0.70 -2.80 120.40 124.81 1wi2 s VAL 65 Ca 0.64 -1.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1wi2 s VAL 65 Cb -0.39 -4.72 -0.06 0.00 0.00 0.00 0.00 36.38 31.22 1wi2 s VAL 65 CO 0.33 -1.44 1.18 -0.07 0.00 0.00 0.00 175.10 175.10 1wi2 h LEU 66 N 10.47 -0.43 -7.67 3.92 -0.00 -0.10 -3.38 115.31 118.12 1wi2 h LEU 66 Ca 0.01 0.03 -0.15 0.00 -0.00 0.00 0.00 57.88 57.77 1wi2 h LEU 66 Cb 1.04 0.14 -0.22 0.00 -0.00 0.00 0.00 40.66 41.62 1wi2 h LEU 66 CO 1.11 -0.22 -0.47 0.00 -0.00 0.00 0.00 178.44 178.86 1wi2 s ALA 67 N -4.04 -0.41 -0.23 1.53 0.00 -1.09 -0.94 121.76 116.57 1wi2 s ALA 67 Ca -0.06 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1wi2 s ALA 67 Cb 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1wi2 s ALA 67 CO 0.19 -0.18 -0.14 0.08 0.00 0.00 0.00 175.76 175.71 1wi2 s VAL 68 N -0.98 2.20 -1.32 0.00 1.01 0.29 0.18 120.40 121.78 1wi2 s VAL 68 Ca -0.11 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 60.48 1wi2 s VAL 68 Cb -0.06 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1wi2 s VAL 68 CO 0.01 0.20 1.13 0.59 0.00 0.00 0.00 175.10 177.03 1wi2 n ASN 69 N 4.52 -5.13 0.00 3.32 3.02 -1.19 -1.67 115.26 118.14 1wi2 n ASN 69 Ca -0.17 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1wi2 n ASN 69 Cb 0.45 -5.01 0.00 0.00 -0.61 0.00 0.00 39.78 34.61 1wi2 n ASN 69 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wi2 n ASP 70 N -3.04 0.00 -4.67 6.41 -0.08 -1.26 -4.95 116.55 108.95 1wi2 n ASP 70 Ca -0.07 0.00 -0.50 0.00 -1.51 0.00 0.00 54.79 52.71 1wi2 n ASP 70 Cb 0.59 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.00 1wi2 n ASP 70 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1wi2 n VAL 71 N 0.00 0.25 -2.29 5.18 0.31 -0.67 -4.87 118.33 116.24 1wi2 n VAL 71 Ca 0.00 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 63.86 1wi2 n VAL 71 Cb 0.00 -1.49 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 1wi2 n VAL 71 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1wi2 s ASP 72 N 2.37 6.91 0.00 4.52 1.01 -1.26 0.11 116.67 130.33 1wi2 s ASP 72 Ca 0.88 2.04 0.23 0.00 0.71 0.00 0.00 52.55 56.41 1wi2 s ASP 72 Cb -0.79 -2.56 0.53 0.00 1.01 0.00 0.00 42.92 41.11 1wi2 s ASP 72 CO 0.48 -0.67 1.46 0.49 0.21 0.00 0.00 175.17 177.15 1wi2 n PHE 73 N 5.15 0.73 0.50 4.23 3.01 -0.12 -4.24 117.46 126.73 1wi2 n PHE 73 Ca 0.12 -0.38 0.07 0.00 1.01 0.00 0.00 57.45 58.27 1wi2 n PHE 73 Cb 0.44 -0.00 0.31 0.00 -0.01 0.00 0.00 39.48 40.22 1wi2 n PHE 73 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1wi2 n GLN 74 N 1.54 0.01 -2.73 -1.08 6.02 -1.16 -3.37 117.38 116.62 1wi2 n GLN 74 Ca 0.22 0.25 -0.05 0.00 -0.01 0.00 0.00 57.00 57.41 1wi2 n GLN 74 Cb 0.61 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.40 1wi2 n GLN 74 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1wi2 n ASP 75 N -1.49 -2.62 -3.99 1.08 5.68 -1.26 -4.23 116.55 109.71 1wi2 n ASP 75 Ca 0.04 -2.38 -0.09 0.00 -0.50 0.00 0.00 54.79 51.86 1wi2 n ASP 75 Cb 0.16 1.40 -0.10 0.00 -1.14 0.00 0.00 41.12 41.45 1wi2 n ASP 75 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1wi2 s ILE 76 N 0.78 0.15 0.82 2.12 2.07 -1.26 -5.05 121.20 120.83 1wi2 s ILE 76 Ca 0.28 -1.21 -0.11 0.00 -1.41 0.00 0.00 60.65 58.20 1wi2 s ILE 76 Cb 0.10 -0.80 0.09 0.00 0.13 0.00 0.00 42.46 41.98 1wi2 s ILE 76 CO -0.11 -0.67 1.12 -1.61 -1.91 0.00 0.00 174.94 171.77 1wi2 s GLU 77 N -2.48 1.79 -0.05 3.50 0.41 -1.26 -4.76 118.70 115.84 1wi2 s GLU 77 Ca -0.06 1.39 -0.25 0.00 -0.41 0.00 0.00 54.97 55.64 1wi2 s GLU 77 Cb -0.02 -1.83 -0.20 0.00 -1.78 0.00 0.00 34.13 30.30 1wi2 s GLU 77 CO -0.04 -2.03 1.03 1.25 -0.49 0.00 0.00 175.26 174.97 1wi2 h HIS 78 N -1.28 -0.08 -0.63 1.61 -0.00 -1.86 0.36 115.15 113.28 1wi2 h HIS 78 Ca -0.44 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.00 1wi2 h HIS 78 Cb 1.25 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.65 1wi2 h HIS 78 CO 0.54 0.48 0.42 1.03 -0.00 0.00 0.00 177.93 180.40 1wi2 h SER 79 N -0.72 0.53 0.02 3.26 0.87 -1.96 0.23 113.55 115.76 1wi2 h SER 79 Ca -0.01 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.40 1wi2 h SER 79 Cb 0.59 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1wi2 h SER 79 CO 0.01 0.34 -0.59 0.50 -0.53 0.00 0.00 176.83 176.56 1wi2 h LYS 80 N 0.60 0.37 0.00 2.24 3.64 -1.93 -0.16 116.57 121.33 1wi2 h LYS 80 Ca 0.27 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1wi2 h LYS 80 Cb 0.31 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1wi2 h LYS 80 CO -0.08 1.10 -0.00 0.00 -2.27 0.00 0.00 179.45 178.20 1wi2 h ALA 81 N 0.29 1.43 0.00 5.00 0.00 0.68 0.15 119.26 126.81 1wi2 h ALA 81 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wi2 h ALA 81 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wi2 h ALA 81 CO 0.12 0.01 -0.15 0.28 0.00 0.00 0.00 179.25 179.50 1wi2 h VAL 82 N 0.00 0.00 -0.78 0.00 2.07 -0.50 -3.29 116.25 113.74 1wi2 h VAL 82 Ca -0.00 -0.65 0.17 0.00 0.82 0.00 0.00 66.70 67.04 1wi2 h VAL 82 Cb 0.01 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.64 1wi2 h VAL 82 CO 0.00 0.00 -0.10 1.05 0.02 0.00 0.00 177.57 178.54 1wi2 h GLU 83 N -0.65 0.04 -0.55 1.57 4.11 -0.86 0.14 114.58 118.38 1wi2 h GLU 83 Ca 0.00 -0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 1wi2 h GLU 83 Cb 0.15 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 1wi2 h GLU 83 CO 0.00 0.03 -0.44 0.82 0.07 0.00 0.00 179.01 179.49 1wi2 h ILE 84 N 0.04 0.09 -0.82 -1.06 2.04 -0.88 1.20 117.51 118.12 1wi2 h ILE 84 Ca 0.41 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.42 1wi2 h ILE 84 Cb 0.68 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 1wi2 h ILE 84 CO -0.76 0.00 0.54 -0.07 0.00 0.00 0.00 178.15 177.86 1wi2 h LEU 85 N -0.25 0.45 0.00 1.44 3.38 -0.83 0.48 115.31 119.98 1wi2 h LEU 85 Ca 0.17 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1wi2 h LEU 85 Cb 0.57 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wi2 h LEU 85 CO -0.67 0.22 0.00 0.29 0.09 0.00 0.00 178.44 178.37 1wi2 n LYS 86 N -4.50 0.00 -0.27 1.13 5.02 0.35 -3.79 118.16 116.10 1wi2 n LYS 86 Ca 0.16 0.00 0.27 0.00 -2.02 0.00 0.00 58.31 56.72 1wi2 n LYS 86 Cb 0.55 -0.66 0.49 0.00 -0.02 0.00 0.00 35.03 35.39 1wi2 n LYS 86 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1wi2 n THR 87 N -0.47 -0.35 -1.57 -0.18 5.66 0.25 -3.81 114.28 113.82 1wi2 n THR 87 Ca 0.00 1.69 -0.26 0.00 -3.05 0.00 0.00 64.05 62.43 1wi2 n THR 87 Cb 0.00 -2.75 -0.05 0.00 -1.55 0.00 0.00 70.33 65.98 1wi2 n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wi2 s ALA 88 N -5.27 1.21 0.31 1.79 0.00 0.17 -4.77 121.76 115.20 1wi2 s ALA 88 Ca -0.08 -0.36 0.07 0.00 0.00 0.00 0.00 51.96 51.59 1wi2 s ALA 88 Cb 0.28 -4.45 0.84 0.00 0.00 0.00 0.00 23.12 19.80 1wi2 s ALA 88 CO 0.65 -5.12 1.66 0.07 0.00 0.00 0.00 175.76 173.02 1wi2 h ARG 89 N 16.46 0.26 -4.80 0.00 0.11 -1.85 -3.36 114.38 121.21 1wi2 h ARG 89 Ca -0.13 -0.02 -0.60 0.00 0.10 0.00 0.00 59.98 59.34 1wi2 h ARG 89 Cb 1.15 -0.06 -0.34 0.00 1.11 0.00 0.00 29.97 31.82 1wi2 h ARG 89 CO 1.09 0.17 -0.84 -1.83 0.10 0.00 0.00 179.97 178.67 1wi2 s GLU 90 N -5.84 2.31 0.36 0.08 -1.05 -1.26 -4.88 118.70 108.42 1wi2 s GLU 90 Ca -0.11 -0.60 -0.16 0.00 -0.15 0.00 0.00 54.97 53.95 1wi2 s GLU 90 Cb 0.27 -1.95 -0.09 0.00 -0.44 0.00 0.00 34.13 31.92 1wi2 s GLU 90 CO 0.78 -0.06 0.79 0.42 0.95 0.00 0.00 175.26 178.14 1wi2 s ILE 91 N 0.96 4.63 -0.34 1.83 1.01 -1.23 -4.94 121.20 123.12 1wi2 s ILE 91 Ca -0.07 1.03 0.04 0.00 0.00 0.00 0.00 60.65 61.66 1wi2 s ILE 91 Cb -0.15 -3.62 0.33 0.00 0.01 0.00 0.00 42.46 39.02 1wi2 s ILE 91 CO -0.02 -0.26 1.38 -0.24 0.00 0.00 0.00 174.94 175.80 1wi2 n SER 92 N -0.56 -1.32 -4.95 3.58 2.88 -1.19 -1.96 113.62 110.11 1wi2 n SER 92 Ca 0.04 -2.01 -0.23 0.00 -1.33 0.00 0.00 58.87 55.34 1wi2 n SER 92 Cb 0.53 1.20 0.02 0.00 -0.75 0.00 0.00 64.21 65.22 1wi2 n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wi2 s MET 93 N 0.07 2.97 -0.17 -1.46 0.23 -0.99 -3.17 119.30 116.77 1wi2 s MET 93 Ca 0.21 -0.44 -0.04 0.00 -1.03 0.00 0.00 55.69 54.38 1wi2 s MET 93 Cb 0.29 -2.50 -0.03 0.00 -1.53 0.00 0.00 34.83 31.07 1wi2 s MET 93 CO -0.19 -0.41 -0.02 1.03 -2.03 0.00 0.00 175.02 173.40 1wi2 s ARG 94 N -4.66 3.67 0.41 3.16 0.52 0.49 0.08 118.95 122.62 1wi2 s ARG 94 Ca 0.51 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 55.24 1wi2 s ARG 94 Cb -0.10 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 1wi2 s ARG 94 CO 0.39 0.17 0.05 0.14 0.02 0.00 0.00 175.30 176.08 1wi2 s VAL 95 N 0.56 1.22 0.05 3.52 -7.23 0.21 0.65 120.40 119.38 1wi2 s VAL 95 Ca -0.02 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.05 1wi2 s VAL 95 Cb -0.14 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.23 1wi2 s VAL 95 CO 0.02 0.00 0.22 0.00 -0.31 0.00 0.00 175.10 175.04 1wi2 s ARG 96 N -3.80 0.74 -1.25 4.82 1.70 -1.12 0.19 118.95 120.22 1wi2 s ARG 96 Ca 0.25 -0.64 -0.18 0.00 -0.47 0.00 0.00 55.73 54.69 1wi2 s ARG 96 Cb 0.06 0.31 -0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1wi2 s ARG 96 CO 0.13 -0.22 1.97 0.34 -1.08 0.00 0.00 175.30 176.43 1wi2 n PHE 97 N 0.57 3.55 -0.80 5.89 -0.00 -1.26 -3.54 117.46 121.87 1wi2 n PHE 97 Ca -0.18 -2.52 -0.35 0.00 -0.00 0.00 0.00 57.45 54.39 1wi2 n PHE 97 Cb 0.59 -2.46 -0.06 0.00 -0.00 0.00 0.00 39.48 37.56 1wi2 n PHE 97 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1wi2 n PHE 98 N 8.34 1.14 -3.65 -5.13 7.35 -1.26 -4.62 117.46 119.63 1wi2 n PHE 98 Ca 0.50 -1.40 0.01 0.00 -0.76 0.00 0.00 57.45 55.79 1wi2 n PHE 98 Cb 0.43 -1.36 -0.06 0.00 0.35 0.00 0.00 39.48 38.83 1wi2 n PHE 98 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1wi2 s SER 99 N 5.15 -0.16 0.58 -2.13 0.15 -1.26 -4.95 113.70 111.08 1wi2 s SER 99 Ca 0.50 0.26 -0.07 0.00 0.70 0.00 0.00 55.95 57.35 1wi2 s SER 99 Cb 0.12 0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 65.40 1wi2 s SER 99 CO 0.13 -0.04 0.92 -0.83 1.20 0.00 0.00 173.24 174.61 1wi2 s GLY 100 N 0.99 1.59 0.29 9.45 0.00 -1.26 -5.04 107.32 113.33 1wi2 s GLY 100 Ca -0.07 -0.51 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 1wi2 s GLY 100 CO -0.11 -0.25 1.08 2.56 0.00 0.00 0.00 173.10 176.37 1wi2 s PRO 101 N -5.01 4.62 -0.30 2.90 0.04 -1.26 -5.02 135.00 130.97 1wi2 s PRO 101 Ca 0.53 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 1wi2 s PRO 101 Cb -0.11 -3.14 0.19 0.00 0.04 0.00 0.00 34.50 31.48 1wi2 s PRO 101 CO 0.47 0.21 0.93 0.45 0.04 0.00 0.00 177.00 179.10 1wi2 s SER 102 N -0.98 -0.73 0.18 6.66 0.15 -1.26 -5.17 113.70 112.55 1wi2 s SER 102 Ca 0.45 0.24 -0.01 0.00 0.70 0.00 0.00 55.95 57.33 1wi2 s SER 102 Cb -0.30 1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 65.49 1wi2 s SER 102 CO 0.39 -0.14 0.37 -0.44 1.20 0.00 0.00 173.24 174.62 1wi2 s SER 103 N 2.92 6.40 0.00 5.45 0.01 -1.26 -5.31 113.70 121.91 1wi2 s SER 103 Ca 0.14 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1wi2 s SER 103 Cb -0.07 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1wi2 s SER 103 CO -0.19 -0.01 0.29 0.61 0.41 0.00 0.00 173.24 174.35