#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 4.08 0.07 1.61 0.01 -1.26 -5.10 113.70 113.11 1wi2 s SER 2 Ca 0.00 -0.27 -0.26 0.00 1.31 0.00 0.00 55.95 56.73 1wi2 s SER 2 Cb 0.00 -1.40 0.08 0.00 0.21 0.00 0.00 66.02 64.92 1wi2 s SER 2 CO 0.00 0.22 0.83 -0.94 0.41 0.00 0.00 173.24 173.76 1wi2 s SER 3 N 0.01 -0.37 0.00 2.44 1.04 -1.26 -5.18 113.70 110.38 1wi2 s SER 3 Ca -0.04 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1wi2 s SER 3 Cb -0.14 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1wi2 s SER 3 CO 0.04 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1wi2 n GLY 4 N -0.32 5.26 0.14 7.32 0.00 -1.26 -5.11 105.19 111.22 1wi2 n GLY 4 Ca -0.10 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 1wi2 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi2 n SER 5 N 0.00 1.90 -1.36 1.61 2.88 -1.26 -5.11 113.62 112.28 1wi2 n SER 5 Ca 0.00 0.32 0.16 0.00 -1.33 0.00 0.00 58.87 58.02 1wi2 n SER 5 Cb 0.00 -0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 62.66 1wi2 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wi2 n SER 6 N -4.40 -7.34 -4.21 -3.46 7.64 -1.26 -4.51 113.62 96.08 1wi2 n SER 6 Ca -0.15 1.16 -0.44 0.00 1.01 0.00 0.00 58.87 60.45 1wi2 n SER 6 Cb 0.51 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 1wi2 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi2 n GLY 7 N -4.16 4.56 3.19 0.23 0.00 -1.26 -4.99 105.19 102.76 1wi2 n GLY 7 Ca -0.07 -2.62 -0.24 0.00 0.00 0.00 0.00 46.02 43.09 1wi2 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wi2 s ASN 8 N 0.14 2.13 0.45 1.61 3.84 -1.26 -5.15 114.94 116.70 1wi2 s ASN 8 Ca 0.31 -0.40 0.08 0.00 0.21 0.00 0.00 52.86 53.06 1wi2 s ASN 8 Cb -0.04 -0.20 0.02 0.00 -0.55 0.00 0.00 41.25 40.47 1wi2 s ASN 8 CO -0.01 0.17 0.61 0.20 -2.79 0.00 0.00 177.10 175.28 1wi2 s ASN 9 N -0.75 5.56 -1.35 -4.21 0.01 -1.26 -5.00 114.94 107.93 1wi2 s ASN 9 Ca 0.06 -0.46 -0.08 0.00 -0.71 0.00 0.00 52.86 51.68 1wi2 s ASN 9 Cb -0.08 -0.54 0.11 0.00 0.41 0.00 0.00 41.25 41.16 1wi2 s ASN 9 CO 0.00 -0.86 2.24 -0.62 -1.51 0.00 0.00 177.10 176.35 1wi2 n GLU 10 N -1.93 4.00 -2.93 -0.60 -0.58 -1.26 -4.62 120.64 112.72 1wi2 n GLU 10 Ca 0.09 -3.29 0.02 0.00 -0.42 0.00 0.00 57.16 53.56 1wi2 n GLU 10 Cb 0.59 -2.81 0.00 0.00 -0.57 0.00 0.00 31.44 28.66 1wi2 n GLU 10 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 1wi2 s LEU 11 N -0.82 -0.61 -0.28 -4.62 0.05 -1.26 -5.14 118.68 106.00 1wi2 s LEU 11 Ca 0.50 -0.22 -0.02 0.00 0.05 0.00 0.00 54.13 54.43 1wi2 s LEU 11 Cb 0.15 0.91 0.17 0.00 -2.05 0.00 0.00 46.19 45.37 1wi2 s LEU 11 CO -0.05 -0.08 0.54 0.28 -0.55 0.00 0.00 176.35 176.49 1wi2 s THR 12 N 2.16 -0.88 0.01 5.48 -1.32 -1.26 -4.98 115.64 114.85 1wi2 s THR 12 Ca 0.17 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 1wi2 s THR 12 Cb 0.00 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1wi2 s THR 12 CO -0.15 -0.03 0.00 0.00 -2.21 0.00 0.00 174.62 172.23 1wi2 n GLN 13 N 5.41 0.00 0.00 7.08 6.02 -1.26 -4.98 117.38 129.65 1wi2 n GLN 13 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1wi2 n GLN 13 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.77 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1wi2 n PHE 14 N -2.51 0.00 -1.20 1.08 3.72 -1.26 -5.14 117.46 112.15 1wi2 n PHE 14 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1wi2 n PHE 14 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1wi2 n PHE 14 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1wi2 n LEU 15 N -0.06 -0.67 -4.72 4.37 4.77 -1.26 -4.69 117.00 114.74 1wi2 n LEU 15 Ca 0.00 1.55 -0.42 0.00 -0.03 0.00 0.00 56.01 57.12 1wi2 n LEU 15 Cb 0.11 -3.51 -0.03 0.00 -2.33 0.00 0.00 43.42 37.66 1wi2 n LEU 15 CO 0.00 -2.02 0.84 -2.16 -1.33 0.00 0.00 177.39 172.72 1wi2 s PRO 16 N -3.58 4.48 0.19 3.23 0.04 -1.26 -4.93 135.00 133.17 1wi2 s PRO 16 Ca 0.00 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 1wi2 s PRO 16 Cb 0.00 -3.34 -0.07 0.00 0.04 0.00 0.00 34.50 31.13 1wi2 s PRO 16 CO 0.00 -0.15 0.54 -0.98 0.04 0.00 0.00 177.00 176.44 1wi2 s ARG 17 N 0.67 3.87 -0.24 4.56 1.70 0.51 -4.85 118.95 125.15 1wi2 s ARG 17 Ca 0.56 0.35 -0.10 0.00 -0.47 0.00 0.00 55.73 56.06 1wi2 s ARG 17 Cb -0.29 -2.78 -0.05 0.00 -0.57 0.00 0.00 34.95 31.27 1wi2 s ARG 17 CO 0.31 0.40 0.15 0.42 -1.08 0.00 0.00 175.30 175.50 1wi2 s ILE 18 N -1.65 5.25 -0.69 4.99 1.09 -1.26 -0.81 121.20 128.11 1wi2 s ILE 18 Ca 0.43 0.14 -0.16 0.00 -1.10 0.00 0.00 60.65 59.96 1wi2 s ILE 18 Cb -0.13 -3.45 0.17 0.00 -1.06 0.00 0.00 42.46 37.98 1wi2 s ILE 18 CO 0.20 0.33 0.68 -0.69 -0.10 0.00 0.00 174.94 175.36 1wi2 s VAL 19 N 1.19 5.32 -0.14 2.92 1.01 -0.65 -4.97 120.40 125.07 1wi2 s VAL 19 Ca 0.07 -1.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.07 1wi2 s VAL 19 Cb -0.14 -4.44 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 1wi2 s VAL 19 CO 0.05 -1.00 0.22 -0.89 0.00 0.00 0.00 175.10 173.48 1wi2 s THR 20 N 1.16 5.35 0.15 3.92 2.01 -1.26 -3.30 115.64 123.67 1wi2 s THR 20 Ca 0.12 0.40 0.10 0.00 0.31 0.00 0.00 61.69 62.63 1wi2 s THR 20 Cb -0.19 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1wi2 s THR 20 CO -0.03 0.49 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.40 1wi2 s LEU 21 N -0.19 2.37 -0.22 4.42 1.02 -0.52 -4.98 118.68 120.58 1wi2 s LEU 21 Ca 0.15 -0.79 -0.08 0.00 0.02 0.00 0.00 54.13 53.42 1wi2 s LEU 21 Cb -0.13 -1.10 -0.11 0.00 0.02 0.00 0.00 46.19 44.87 1wi2 s LEU 21 CO 0.04 0.11 -0.27 1.17 0.02 0.00 0.00 176.35 177.42 1wi2 n LYS 22 N 0.64 0.49 -2.19 1.70 0.00 -1.26 -2.66 118.16 114.87 1wi2 n LYS 22 Ca -0.16 0.19 0.00 0.00 0.00 0.00 0.00 58.31 58.34 1wi2 n LYS 22 Cb 0.55 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 34.24 1wi2 n LYS 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1wi2 n LYS 23 N -3.79 -5.50 -1.55 1.64 4.81 -1.26 -4.79 118.16 107.71 1wi2 n LYS 23 Ca -0.43 3.91 -0.29 0.00 -0.87 0.00 0.00 58.31 60.63 1wi2 n LYS 23 Cb 0.84 -4.44 0.12 0.00 0.02 0.00 0.00 35.03 31.57 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 1.47 -0.67 1.64 0.04 -1.26 -4.94 135.00 130.73 1wi2 s PRO 24 Ca 0.00 0.41 -0.27 0.00 0.04 0.00 0.00 61.00 61.18 1wi2 s PRO 24 Cb 0.00 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1wi2 s PRO 24 CO 0.00 -1.99 1.56 -1.25 0.04 0.00 0.00 177.00 175.36 1wi2 s PRO 25 N -5.24 2.92 0.00 0.56 0.04 -1.26 -2.58 135.00 129.44 1wi2 s PRO 25 Ca 0.63 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1wi2 s PRO 25 Cb -0.15 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1wi2 s PRO 25 CO 0.54 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.56 1wi2 n GLY 26 N 5.53 1.94 0.00 0.56 0.00 -1.26 -5.13 105.19 106.83 1wi2 n GLY 26 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.57 0.00 -2.44 4.61 0.00 -1.07 -5.16 120.51 115.87 1wi2 n ALA 27 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1wi2 n ALA 27 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1wi2 n ALA 27 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wi2 s GLN 28 N -1.34 0.59 0.00 0.00 -2.07 -1.26 -4.99 119.66 110.58 1wi2 s GLN 28 Ca 0.00 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 52.51 1wi2 s GLN 28 Cb 0.00 -0.01 0.00 0.00 -1.09 0.00 0.00 33.01 31.91 1wi2 s GLN 28 CO 0.00 -0.04 0.61 -0.11 -1.32 0.00 0.00 175.29 174.43 1wi2 n LEU 29 N 0.64 0.00 0.00 2.60 7.94 -1.26 -4.89 117.00 122.03 1wi2 n LEU 29 Ca -0.17 0.61 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1wi2 n LEU 29 Cb 0.58 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1wi2 n LEU 29 CO 0.25 -0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 1wi2 n GLY 30 N -1.00 1.46 3.47 -3.96 0.00 -1.26 -4.56 105.19 99.35 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 -2.00 -0.48 0.20 1.61 -0.71 -1.26 0.20 117.98 115.54 1wi2 s PHE 31 Ca 0.00 0.42 0.09 0.00 -1.04 0.00 0.00 56.93 56.41 1wi2 s PHE 31 Cb 0.00 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 1wi2 s PHE 31 CO 0.00 -0.68 -0.10 -0.80 -1.34 0.00 0.00 175.22 172.29 1wi2 s ASN 32 N -2.34 4.19 0.19 1.98 0.01 0.54 -4.93 114.94 114.59 1wi2 s ASN 32 Ca 0.00 -0.63 0.09 0.00 -0.71 0.00 0.00 52.86 51.61 1wi2 s ASN 32 Cb -0.01 -0.68 -0.04 0.00 0.41 0.00 0.00 41.25 40.93 1wi2 s ASN 32 CO -0.08 0.09 -0.08 0.27 -1.51 0.00 0.00 177.10 175.79 1wi2 s ILE 33 N -1.81 3.23 0.34 0.60 -5.25 -1.26 0.04 121.20 117.09 1wi2 s ILE 33 Ca 0.26 -1.69 -0.15 0.00 -0.99 0.00 0.00 60.65 58.07 1wi2 s ILE 33 Cb -0.08 -2.62 0.04 0.00 2.95 0.00 0.00 42.46 42.75 1wi2 s ILE 33 CO 0.15 -0.15 0.71 0.00 -1.79 0.00 0.00 174.94 173.87 1wi2 s ARG 34 N -2.94 2.04 0.53 0.37 1.70 -0.77 -4.67 118.95 115.20 1wi2 s ARG 34 Ca 0.26 -1.35 0.00 0.00 -0.47 0.00 0.00 55.73 54.17 1wi2 s ARG 34 Cb -0.08 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1wi2 s ARG 34 CO 0.16 -0.93 0.00 0.41 -1.08 0.00 0.00 175.30 173.86 1wi2 n GLY 35 N -0.51 -2.79 0.00 3.88 0.00 -1.26 -0.30 105.19 104.21 1wi2 n GLY 35 Ca -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -4.15 0.78 1.22 -0.02 0.00 0.40 -3.77 105.19 99.64 1wi2 n GLY 36 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.00 0.00 1.61 5.02 -1.25 -3.98 118.16 119.56 1wi2 n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wi2 n LYS 37 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wi2 n ALA 38 N -2.95 0.00 -4.09 7.82 0.00 -1.26 -4.85 120.51 115.17 1wi2 n ALA 38 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1wi2 n ALA 38 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 -1.62 -3.25 0.00 2.88 -1.26 -1.15 113.62 109.21 1wi2 n SER 39 Ca 0.00 -0.92 -0.16 0.00 -1.33 0.00 0.00 58.87 56.47 1wi2 n SER 39 Cb 0.00 -1.44 0.01 0.00 -0.75 0.00 0.00 64.21 62.03 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 -3.66 -1.80 -3.90 -1.46 6.02 -1.26 -5.02 117.38 106.29 1wi2 n GLN 40 Ca 0.10 1.50 -0.11 0.00 -0.01 0.00 0.00 57.00 58.48 1wi2 n GLN 40 Cb 0.44 -4.22 -0.11 0.00 1.02 0.00 0.00 30.24 27.38 1wi2 n GLN 40 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wi2 s LEU 41 N -3.50 1.78 0.00 1.08 2.96 -0.30 -5.07 118.68 115.63 1wi2 s LEU 41 Ca 0.15 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1wi2 s LEU 41 Cb -0.03 0.45 0.00 0.00 0.50 0.00 0.00 46.19 47.12 1wi2 s LEU 41 CO 0.81 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 176.15 1wi2 n GLY 42 N 1.69 6.27 3.84 7.98 0.00 -1.23 -3.86 105.19 119.87 1wi2 n GLY 42 Ca -0.22 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.45 1wi2 n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wi2 s ILE 43 N 1.42 5.02 -0.02 -0.61 -1.09 -1.24 0.15 121.20 124.83 1wi2 s ILE 43 Ca 0.00 0.79 0.01 0.00 -2.23 0.00 0.00 60.65 59.22 1wi2 s ILE 43 Cb 0.00 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1wi2 s ILE 43 CO 0.00 0.52 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.84 1wi2 s PHE 44 N -1.15 0.39 -0.44 3.97 0.40 0.59 -0.21 117.98 121.53 1wi2 s PHE 44 Ca 0.26 -0.06 -0.34 0.00 -0.60 0.00 0.00 56.93 56.20 1wi2 s PHE 44 Cb -0.16 -0.36 -0.12 0.00 0.51 0.00 0.00 43.02 42.89 1wi2 s PHE 44 CO 0.15 -0.08 2.27 -0.89 0.70 0.00 0.00 175.22 177.37 1wi2 n ILE 45 N 3.62 0.13 0.10 0.64 2.08 -0.92 -1.85 119.36 123.17 1wi2 n ILE 45 Ca -0.21 -0.29 -0.08 0.00 0.56 0.00 0.00 62.75 62.73 1wi2 n ILE 45 Cb 0.54 -1.65 -0.05 0.00 -0.75 0.00 0.00 39.64 37.73 1wi2 n ILE 45 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1wi2 h SER 46 N 13.20 -0.30 -4.66 4.38 0.87 -0.66 -3.10 113.55 123.28 1wi2 h SER 46 Ca -0.24 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.04 1wi2 h SER 46 Cb 1.32 0.08 -0.22 0.00 -0.44 0.00 0.00 62.40 63.13 1wi2 h SER 46 CO 1.08 0.20 -0.44 -0.75 -0.53 0.00 0.00 176.83 176.38 1wi2 s LYS 47 N -3.11 0.46 -0.06 2.24 2.20 -1.11 -4.86 119.74 115.49 1wi2 s LYS 47 Ca -0.09 -0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1wi2 s LYS 47 Cb 0.01 0.20 0.02 0.00 -1.51 0.00 0.00 37.83 36.55 1wi2 s LYS 47 CO 0.30 -0.11 -0.07 0.08 -0.36 0.00 0.00 175.35 175.20 1wi2 s VAL 48 N -0.97 0.77 0.07 4.02 1.01 -1.26 0.20 120.40 124.24 1wi2 s VAL 48 Ca -0.11 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.34 1wi2 s VAL 48 Cb -0.05 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 1wi2 s VAL 48 CO 0.02 0.29 1.58 -0.63 0.00 0.00 0.00 175.10 176.36 1wi2 s ILE 49 N 1.06 3.14 -0.27 2.22 -1.09 0.54 -4.85 121.20 121.96 1wi2 s ILE 49 Ca -0.08 0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 58.91 1wi2 s ILE 49 Cb -0.14 -3.40 -0.17 0.00 -1.58 0.00 0.00 42.46 37.16 1wi2 s ILE 49 CO -0.01 0.01 2.77 -0.81 -1.23 0.00 0.00 174.94 175.67 1wi2 n PRO 50 N 5.32 1.79 0.00 2.79 -0.04 -1.26 -2.62 135.00 140.97 1wi2 n PRO 50 Ca 0.15 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1wi2 n PRO 50 Cb 0.41 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1wi2 n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wi2 n ASP 51 N 2.91 0.00 -4.37 3.54 2.03 -1.26 -5.08 116.55 114.33 1wi2 n ASP 51 Ca 0.38 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.49 1wi2 n ASP 51 Cb 0.58 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.87 1wi2 n ASP 51 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1wi2 s SER 52 N 0.00 1.95 0.47 1.67 1.04 -1.08 -5.02 113.70 112.72 1wi2 s SER 52 Ca 0.00 -1.41 0.13 0.00 0.48 0.00 0.00 55.95 55.15 1wi2 s SER 52 Cb 0.00 0.06 1.07 0.00 0.10 0.00 0.00 66.02 67.25 1wi2 s SER 52 CO 0.00 -0.68 2.06 0.44 0.98 0.00 0.00 173.24 176.04 1wi2 h ASP 53 N 2.19 0.11 0.33 7.02 3.32 -1.90 -1.54 116.42 125.95 1wi2 h ASP 53 Ca -0.39 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1wi2 h ASP 53 Cb 1.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1wi2 h ASP 53 CO 0.65 0.16 -0.16 0.00 -1.72 0.00 0.00 179.24 178.17 1wi2 h ALA 54 N 1.86 -0.72 -0.88 3.45 0.00 -1.88 1.43 119.26 122.52 1wi2 h ALA 54 Ca 0.03 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.02 1wi2 h ALA 54 Cb 0.12 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 17.91 1wi2 h ALA 54 CO 0.00 -0.69 -0.23 1.25 0.00 0.00 0.00 179.25 179.59 1wi2 h HIS 55 N -0.66 -0.49 -0.07 0.00 -0.00 -1.68 0.25 115.15 112.49 1wi2 h HIS 55 Ca -0.05 0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1wi2 h HIS 55 Cb 0.34 0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 28.10 1wi2 h HIS 55 CO 0.06 -0.38 -0.05 0.00 -0.00 0.00 0.00 177.93 177.56 1wi2 h ARG 56 N -0.00 0.16 -1.58 5.26 -0.00 -1.31 -2.79 114.38 114.13 1wi2 h ARG 56 Ca 0.42 -0.08 0.46 0.00 -0.50 0.00 0.00 59.98 60.28 1wi2 h ARG 56 Cb 0.64 -0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.55 1wi2 h ARG 56 CO -0.91 0.56 1.17 0.00 0.00 0.00 0.00 179.97 180.79 1wi2 h ALA 57 N 0.60 3.49 0.00 0.04 0.00 0.52 -3.42 119.26 120.49 1wi2 h ALA 57 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wi2 h ALA 57 Cb 0.52 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wi2 h ALA 57 CO 0.01 -1.98 0.00 0.41 0.00 0.00 0.00 179.25 177.69 1wi2 n GLY 58 N -1.84 1.52 3.83 0.00 0.00 -0.08 -5.02 105.19 103.60 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 4.45 -0.14 0.99 1.02 -0.47 -5.01 118.68 119.52 1wi2 s LEU 59 Ca 0.00 1.11 -0.09 0.00 0.02 0.00 0.00 54.13 55.17 1wi2 s LEU 59 Cb 0.00 -2.93 0.05 0.00 0.02 0.00 0.00 46.19 43.33 1wi2 s LEU 59 CO 0.00 0.23 0.35 0.00 0.02 0.00 0.00 176.35 176.95 1wi2 s GLN 60 N -1.39 0.35 -0.54 1.70 -2.07 -1.26 -4.55 119.66 111.89 1wi2 s GLN 60 Ca 0.30 0.61 -0.38 0.00 -1.82 0.00 0.00 55.36 54.08 1wi2 s GLN 60 Cb -0.17 0.04 -0.16 0.00 -1.09 0.00 0.00 33.01 31.62 1wi2 s GLN 60 CO 0.18 -0.12 2.28 0.39 -1.32 0.00 0.00 175.29 176.70 1wi2 n GLU 61 N 3.73 0.42 0.00 9.60 1.02 -1.26 -1.16 120.64 132.99 1wi2 n GLU 61 Ca -0.20 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1wi2 n GLU 61 Cb 0.56 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 6.91 4.28 3.54 0.62 0.00 -1.17 -5.01 105.19 114.35 1wi2 n GLY 62 Ca 0.52 -0.72 -0.63 0.00 0.00 0.00 0.00 46.02 45.18 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 1.22 -4.78 1.61 9.92 -0.31 -4.48 116.55 119.73 1wi2 n ASP 63 Ca 0.00 0.93 -0.37 0.00 -0.53 0.00 0.00 54.79 54.82 1wi2 n ASP 63 Cb 0.00 -0.94 -0.06 0.00 -0.64 0.00 0.00 41.12 39.48 1wi2 n ASP 63 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1wi2 s GLN 64 N 4.41 4.59 -0.51 -1.24 0.74 -1.25 -2.16 119.66 124.24 1wi2 s GLN 64 Ca 1.10 1.29 -0.13 0.00 0.05 0.00 0.00 55.36 57.67 1wi2 s GLN 64 Cb -1.41 -2.91 0.12 0.00 1.10 0.00 0.00 33.01 29.90 1wi2 s GLN 64 CO 0.72 0.35 0.43 0.08 -0.55 0.00 0.00 175.29 176.32 1wi2 s VAL 65 N -1.51 4.78 0.01 1.34 1.01 0.71 -3.39 120.40 123.35 1wi2 s VAL 65 Ca 0.47 -1.59 -0.15 0.00 0.00 0.00 0.00 61.98 60.71 1wi2 s VAL 65 Cb -0.20 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 1wi2 s VAL 65 CO 0.25 -0.81 0.97 -0.07 0.00 0.00 0.00 175.10 175.44 1wi2 h LEU 66 N 8.69 -0.47 -8.22 3.92 3.38 -0.49 -3.35 115.31 118.77 1wi2 h LEU 66 Ca -0.26 0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.45 1wi2 h LEU 66 Cb 1.09 0.12 -0.20 0.00 0.09 0.00 0.00 40.66 41.76 1wi2 h LEU 66 CO 0.95 -0.26 -0.73 0.00 0.09 0.00 0.00 178.44 178.48 1wi2 s ALA 67 N -4.15 0.68 -0.27 1.53 0.00 -1.24 -1.24 121.76 117.07 1wi2 s ALA 67 Ca -0.08 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1wi2 s ALA 67 Cb 0.01 0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.25 1wi2 s ALA 67 CO 0.24 -0.03 -0.02 0.08 0.00 0.00 0.00 175.76 176.03 1wi2 s VAL 68 N -1.66 1.68 -1.24 0.00 1.01 0.50 0.13 120.40 120.81 1wi2 s VAL 68 Ca -0.06 -1.50 -0.03 0.00 0.00 0.00 0.00 61.98 60.38 1wi2 s VAL 68 Cb -0.08 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1wi2 s VAL 68 CO -0.00 -0.25 0.78 0.59 0.00 0.00 0.00 175.10 176.22 1wi2 n ASN 69 N 4.58 -2.34 0.00 3.32 3.02 -0.12 -1.67 115.26 122.05 1wi2 n ASN 69 Ca -0.08 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1wi2 n ASN 69 Cb 0.43 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 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 -3.05 0.00 -4.69 6.41 2.03 -1.26 -4.93 116.55 111.06 1wi2 n ASP 70 Ca -0.25 0.00 -0.50 0.00 0.52 0.00 0.00 54.79 54.56 1wi2 n ASP 70 Cb 0.66 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.01 1wi2 n ASP 70 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1wi2 n VAL 71 N 0.00 0.54 -2.45 5.18 0.31 -0.67 -4.90 118.33 116.34 1wi2 n VAL 71 Ca 0.00 -0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 63.82 1wi2 n VAL 71 Cb 0.00 -1.78 -0.04 0.00 -0.91 0.00 0.00 33.84 31.11 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 3.99 7.17 0.00 4.52 1.11 -1.26 0.19 116.67 132.39 1wi2 s ASP 72 Ca 0.94 2.13 0.18 0.00 0.18 0.00 0.00 52.55 55.98 1wi2 s ASP 72 Cb -0.75 -2.60 -0.11 0.00 1.07 0.00 0.00 42.92 40.53 1wi2 s ASP 72 CO 0.54 -0.31 0.83 0.49 1.18 0.00 0.00 175.17 177.90 1wi2 n PHE 73 N 2.63 0.00 -0.40 4.23 3.01 -0.38 -4.45 117.46 122.10 1wi2 n PHE 73 Ca 0.04 0.00 0.33 0.00 1.01 0.00 0.00 57.45 58.83 1wi2 n PHE 73 Cb 0.46 0.00 0.62 0.00 -0.01 0.00 0.00 39.48 40.54 1wi2 n PHE 73 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1wi2 h GLN 74 N 0.89 0.17 -2.23 -1.08 4.20 -1.71 -3.17 115.11 112.18 1wi2 h GLN 74 Ca 0.00 -0.01 -0.47 0.00 0.06 0.00 0.00 58.65 58.23 1wi2 h GLN 74 Cb 0.51 -0.04 -0.35 0.00 0.30 0.00 0.00 27.48 27.90 1wi2 h GLN 74 CO 0.00 0.11 -0.78 -0.51 -0.67 0.00 0.00 178.83 176.99 1wi2 s ASP 75 N -4.76 1.91 0.08 1.46 1.01 -1.26 -3.56 116.67 111.56 1wi2 s ASP 75 Ca -0.08 -1.96 -0.14 0.00 0.71 0.00 0.00 52.55 51.09 1wi2 s ASP 75 Cb 0.28 0.10 0.02 0.00 1.01 0.00 0.00 42.92 44.33 1wi2 s ASP 75 CO 0.81 -0.27 0.32 -0.51 0.21 0.00 0.00 175.17 175.73 1wi2 s ILE 76 N 1.16 0.09 0.47 0.77 2.07 -1.20 -5.04 121.20 119.52 1wi2 s ILE 76 Ca 0.19 -0.76 -0.21 0.00 -1.41 0.00 0.00 60.65 58.46 1wi2 s ILE 76 Cb -0.17 -1.13 -0.09 0.00 0.13 0.00 0.00 42.46 41.21 1wi2 s ILE 76 CO -0.02 -0.42 1.04 -1.61 -1.91 0.00 0.00 174.94 172.02 1wi2 s GLU 77 N -3.33 3.88 0.19 3.50 0.41 -1.26 -4.59 118.70 117.50 1wi2 s GLU 77 Ca 0.00 1.39 -0.12 0.00 -0.41 0.00 0.00 54.97 55.83 1wi2 s GLU 77 Cb 0.02 -2.18 0.18 0.00 -1.78 0.00 0.00 34.13 30.37 1wi2 s GLU 77 CO -0.08 -0.37 1.78 1.25 -0.49 0.00 0.00 175.26 177.35 1wi2 h HIS 78 N 1.75 0.50 0.47 1.61 -0.00 -1.91 -1.10 115.15 116.47 1wi2 h HIS 78 Ca -0.49 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 59.89 1wi2 h HIS 78 Cb 1.22 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 28.47 1wi2 h HIS 78 CO 0.57 0.23 -0.41 0.77 -0.00 0.00 0.00 177.93 179.09 1wi2 h SER 79 N 0.53 -1.09 -0.49 3.26 0.02 -1.98 0.15 113.55 113.95 1wi2 h SER 79 Ca 0.25 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.36 1wi2 h SER 79 Cb 0.19 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 62.98 1wi2 h SER 79 CO -0.19 -0.58 -0.47 0.50 -1.14 0.00 0.00 176.83 174.96 1wi2 h LYS 80 N -0.88 -0.29 -0.26 3.45 3.64 -1.86 1.47 116.57 121.84 1wi2 h LYS 80 Ca -0.05 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1wi2 h LYS 80 Cb 0.76 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 1wi2 h LYS 80 CO -0.03 -0.19 -0.33 0.00 -2.27 0.00 0.00 179.45 176.63 1wi2 h ALA 81 N 0.39 -0.29 0.07 5.00 0.00 -0.95 1.43 119.26 124.92 1wi2 h ALA 81 Ca 0.14 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1wi2 h ALA 81 Cb 0.58 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1wi2 h ALA 81 CO -0.63 -0.77 -0.28 0.28 0.00 0.00 0.00 179.25 177.85 1wi2 h VAL 82 N -0.33 0.38 0.37 0.00 2.07 0.13 -0.27 116.25 118.61 1wi2 h VAL 82 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1wi2 h VAL 82 Cb 0.54 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1wi2 h VAL 82 CO -0.45 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 176.39 1wi2 h GLU 83 N -0.46 -0.77 -0.12 1.57 5.08 0.30 -0.64 114.58 119.52 1wi2 h GLU 83 Ca 0.04 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1wi2 h GLU 83 Cb 0.52 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1wi2 h GLU 83 CO -0.20 -0.52 -0.08 0.82 -1.00 0.00 0.00 179.01 178.04 1wi2 h ILE 84 N -0.80 0.00 -0.98 3.13 2.04 0.21 0.92 117.51 122.02 1wi2 h ILE 84 Ca -0.05 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.98 1wi2 h ILE 84 Cb 0.71 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.62 1wi2 h ILE 84 CO -0.08 0.00 -0.35 0.18 0.00 0.00 0.00 178.15 177.90 1wi2 n LEU 85 N -3.28 -0.57 0.00 1.44 4.77 -0.13 0.15 117.00 119.39 1wi2 n LEU 85 Ca 0.00 1.71 0.00 0.00 -0.03 0.00 0.00 56.01 57.69 1wi2 n LEU 85 Cb 0.03 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1wi2 n LEU 85 CO -0.02 -1.56 0.34 0.29 -1.33 0.00 0.00 177.39 175.10 1wi2 n LYS 86 N -5.49 0.00 -0.31 3.23 5.02 0.95 -3.43 118.16 118.12 1wi2 n LYS 86 Ca 0.11 0.25 -0.08 0.00 -2.02 0.00 0.00 58.31 56.57 1wi2 n LYS 86 Cb 0.42 -1.17 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 1wi2 n LYS 86 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wi2 n THR 87 N -1.11 -0.51 -1.34 -0.18 -2.24 0.28 -4.23 114.28 104.94 1wi2 n THR 87 Ca 0.00 2.06 -0.53 0.00 -2.27 0.00 0.00 64.05 63.31 1wi2 n THR 87 Cb 0.00 -2.57 -0.12 0.00 -2.10 0.00 0.00 70.33 65.54 1wi2 n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wi2 n ALA 88 N -3.24 0.33 -0.17 6.98 0.00 0.40 -4.73 120.51 120.09 1wi2 n ALA 88 Ca 0.01 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1wi2 n ALA 88 Cb 0.19 -2.20 0.45 0.00 0.00 0.00 0.00 19.45 17.89 1wi2 n ALA 88 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1wi2 h ARG 89 N 10.39 0.52 -4.86 0.00 0.11 -1.83 -3.39 114.38 115.32 1wi2 h ARG 89 Ca -0.11 -0.03 -0.58 0.00 0.10 0.00 0.00 59.98 59.36 1wi2 h ARG 89 Cb 1.38 -0.12 -0.33 0.00 1.11 0.00 0.00 29.97 32.00 1wi2 h ARG 89 CO 1.17 0.35 -0.84 -1.83 0.10 0.00 0.00 179.97 178.91 1wi2 s GLU 90 N -5.51 2.27 0.06 0.08 -1.05 -1.26 -4.80 118.70 108.49 1wi2 s GLU 90 Ca -0.09 -0.60 -0.15 0.00 -0.15 0.00 0.00 54.97 53.98 1wi2 s GLU 90 Cb 0.20 -1.80 -0.06 0.00 -0.44 0.00 0.00 34.13 32.03 1wi2 s GLU 90 CO 0.77 0.07 0.46 0.42 0.95 0.00 0.00 175.26 177.93 1wi2 s ILE 91 N 0.60 4.95 -0.44 1.83 1.01 -1.09 -4.96 121.20 123.10 1wi2 s ILE 91 Ca -0.15 0.84 0.02 0.00 0.00 0.00 0.00 60.65 61.37 1wi2 s ILE 91 Cb -0.16 -3.74 0.23 0.00 0.01 0.00 0.00 42.46 38.79 1wi2 s ILE 91 CO 0.05 0.46 0.95 -0.24 0.00 0.00 0.00 174.94 176.16 1wi2 n SER 92 N 1.44 -2.49 -4.81 3.58 2.88 -1.25 -1.44 113.62 111.52 1wi2 n SER 92 Ca -0.11 -2.45 -0.22 0.00 -1.33 0.00 0.00 58.87 54.77 1wi2 n SER 92 Cb 0.52 1.39 -0.05 0.00 -0.75 0.00 0.00 64.21 65.32 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 0.69 2.90 -0.18 -1.46 0.23 -1.21 -0.95 119.30 119.32 1wi2 s MET 93 Ca 0.29 -1.07 -0.14 0.00 -1.03 0.00 0.00 55.69 53.74 1wi2 s MET 93 Cb 0.14 -2.55 -0.04 0.00 -1.53 0.00 0.00 34.83 30.85 1wi2 s MET 93 CO -0.13 0.40 0.33 0.50 -2.03 0.00 0.00 175.02 174.09 1wi2 s ARG 94 N -3.81 4.22 0.11 3.16 3.52 0.34 -1.64 118.95 124.85 1wi2 s ARG 94 Ca 0.33 0.12 0.04 0.00 -0.13 0.00 0.00 55.73 56.09 1wi2 s ARG 94 Cb -0.08 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 1wi2 s ARG 94 CO 0.25 0.13 -0.11 0.14 -0.81 0.00 0.00 175.30 174.89 1wi2 s VAL 95 N 0.80 1.09 -0.17 7.11 -7.23 0.01 0.25 120.40 122.27 1wi2 s VAL 95 Ca 0.17 -1.70 -0.19 0.00 -1.81 0.00 0.00 61.98 58.44 1wi2 s VAL 95 Cb -0.14 -1.46 0.05 0.00 0.56 0.00 0.00 36.38 35.39 1wi2 s VAL 95 CO 0.06 -0.53 0.52 -0.60 -0.31 0.00 0.00 175.10 174.24 1wi2 s ARG 96 N -2.84 0.66 0.92 4.82 3.52 -1.22 -0.37 118.95 124.45 1wi2 s ARG 96 Ca 0.08 0.61 -0.17 0.00 -0.13 0.00 0.00 55.73 56.12 1wi2 s ARG 96 Cb -0.03 0.32 -0.15 0.00 -1.56 0.00 0.00 34.95 33.53 1wi2 s ARG 96 CO 0.01 -0.11 -0.71 0.34 -0.81 0.00 0.00 175.30 174.03 1wi2 n PHE 97 N 2.49 -4.87 -2.05 5.12 7.35 -1.26 -3.87 117.46 120.36 1wi2 n PHE 97 Ca -0.15 0.03 -0.15 0.00 -0.76 0.00 0.00 57.45 56.42 1wi2 n PHE 97 Cb 0.56 -1.45 0.06 0.00 0.35 0.00 0.00 39.48 39.00 1wi2 n PHE 97 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97 1wi2 n PHE 98 N -2.34 2.02 -2.51 -5.13 -1.74 -1.26 -4.86 117.46 101.64 1wi2 n PHE 98 Ca -0.01 -2.04 -0.00 0.00 -0.56 0.00 0.00 57.45 54.85 1wi2 n PHE 98 Cb 0.54 -0.31 -0.00 0.00 1.52 0.00 0.00 39.48 41.23 1wi2 n PHE 98 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1wi2 n SER 99 N -0.74 -6.81 -2.00 5.98 7.64 -1.26 -5.07 113.62 111.37 1wi2 n SER 99 Ca 0.34 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.43 1wi2 n SER 99 Cb 0.91 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 1wi2 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi2 n GLY 100 N 0.63 3.25 3.56 0.23 0.00 -1.26 -5.03 105.19 106.56 1wi2 n GLY 100 Ca -0.01 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 1wi2 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi2 s PRO 101 N -1.99 3.01 0.33 1.61 0.04 -1.26 -4.97 135.00 131.77 1wi2 s PRO 101 Ca 0.00 -0.34 -0.23 0.00 0.04 0.00 0.00 61.00 60.47 1wi2 s PRO 101 Cb 0.00 -4.81 -0.10 0.00 0.04 0.00 0.00 34.50 29.63 1wi2 s PRO 101 CO 0.00 -2.63 0.90 -1.12 0.04 0.00 0.00 177.00 174.19 1wi2 s SER 102 N 6.20 7.17 0.16 6.66 0.01 -1.26 -4.97 113.70 127.67 1wi2 s SER 102 Ca 0.55 1.70 0.00 0.00 1.31 0.00 0.00 55.95 59.50 1wi2 s SER 102 Cb -0.06 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1wi2 s SER 102 CO 0.04 -0.12 0.00 -0.24 0.41 0.00 0.00 173.24 173.33 1wi2 n SER 103 N 0.27 0.55 0.00 2.44 2.88 -1.26 -5.31 113.62 113.18 1wi2 n SER 103 Ca 0.02 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1wi2 n SER 103 Cb 0.51 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1wi2 n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42