#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 -0.25 -0.04 1.61 0.15 -1.26 -5.16 113.70 108.75 1wi2 s SER 2 Ca 0.00 0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.80 1wi2 s SER 2 Cb 0.00 0.23 0.03 0.00 -1.71 0.00 0.00 66.02 64.57 1wi2 s SER 2 CO 0.00 -0.31 0.06 -0.44 1.20 0.00 0.00 173.24 173.74 1wi2 s SER 3 N -1.62 0.75 -0.30 5.45 0.01 -1.26 -5.12 113.70 111.60 1wi2 s SER 3 Ca 0.04 0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.35 1wi2 s SER 3 Cb -0.01 -0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.18 1wi2 s SER 3 CO -0.04 -0.21 0.03 -0.83 0.41 0.00 0.00 173.24 172.60 1wi2 s GLY 4 N 1.81 1.77 0.18 3.44 0.00 -1.26 -5.08 107.32 108.18 1wi2 s GLY 4 Ca 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 44.72 42.95 1wi2 s GLY 4 CO -0.03 0.69 0.28 -0.56 0.00 0.00 0.00 173.10 173.48 1wi2 s SER 5 N 1.33 0.05 -0.34 1.64 0.01 -1.26 -5.10 113.70 110.03 1wi2 s SER 5 Ca -0.03 -0.95 -0.44 0.00 1.31 0.00 0.00 55.95 55.84 1wi2 s SER 5 Cb -0.19 0.44 -0.19 0.00 0.21 0.00 0.00 66.02 66.29 1wi2 s SER 5 CO -0.00 -0.91 1.48 -0.24 0.41 0.00 0.00 173.24 173.98 1wi2 n SER 6 N -0.24 1.07 0.00 2.44 2.88 -1.26 -4.65 113.62 113.86 1wi2 n SER 6 Ca -0.05 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1wi2 n SER 6 Cb 0.63 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1wi2 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi2 n GLY 7 N 3.39 3.08 2.61 0.46 0.00 -1.26 -5.04 105.19 108.42 1wi2 n GLY 7 Ca 0.27 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 3.54 -0.30 1.61 3.84 -1.26 -5.06 114.94 117.31 1wi2 s ASN 8 Ca 0.00 -1.91 -0.04 0.00 0.21 0.00 0.00 52.86 51.12 1wi2 s ASN 8 Cb 0.00 -0.65 0.19 0.00 -0.55 0.00 0.00 41.25 40.24 1wi2 s ASN 8 CO 0.00 -0.36 0.73 0.21 -2.79 0.00 0.00 177.10 174.89 1wi2 s ASN 9 N 1.33 -1.12 -0.26 -4.21 3.84 -1.26 -5.13 114.94 108.12 1wi2 s ASN 9 Ca 0.13 0.68 -0.09 0.00 0.21 0.00 0.00 52.86 53.80 1wi2 s ASN 9 Cb -0.20 1.93 0.12 0.00 -0.55 0.00 0.00 41.25 42.55 1wi2 s ASN 9 CO -0.15 -0.21 0.57 -1.61 -2.79 0.00 0.00 177.10 172.90 1wi2 s GLU 10 N 2.89 0.49 -0.76 0.43 2.02 -1.26 -4.98 118.70 117.52 1wi2 s GLU 10 Ca 0.14 1.29 -0.06 0.00 0.02 0.00 0.00 54.97 56.37 1wi2 s GLU 10 Cb -0.13 0.67 0.01 0.00 0.10 0.00 0.00 34.13 34.77 1wi2 s GLU 10 CO -0.18 -0.23 0.62 1.28 0.02 0.00 0.00 175.26 176.77 1wi2 n LEU 11 N 5.43 -2.82 -4.74 1.80 4.77 -1.26 -4.81 117.00 115.37 1wi2 n LEU 11 Ca -0.10 -0.70 -0.41 0.00 -0.03 0.00 0.00 56.01 54.76 1wi2 n LEU 11 Cb 0.49 -1.91 -0.02 0.00 -2.33 0.00 0.00 43.42 39.65 1wi2 n LEU 11 CO -0.02 0.05 1.15 0.28 -1.33 0.00 0.00 177.39 177.51 1wi2 s THR 12 N -2.78 2.56 0.00 -5.08 -1.32 -1.26 -4.77 115.64 102.99 1wi2 s THR 12 Ca 0.06 0.46 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 1wi2 s THR 12 Cb -0.01 -3.29 0.00 0.00 -1.51 0.00 0.00 72.50 67.69 1wi2 s THR 12 CO 0.87 0.07 0.00 0.00 -2.21 0.00 0.00 174.62 173.35 1wi2 n GLN 13 N 2.56 0.00 -1.93 7.08 1.13 -1.26 -4.98 117.38 119.97 1wi2 n GLN 13 Ca 0.08 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.11 1wi2 n GLN 13 Cb 0.39 -0.06 0.04 0.00 0.11 0.00 0.00 30.24 30.72 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1wi2 n PHE 14 N -1.98 -0.80 -0.64 1.08 3.01 -1.26 -5.14 117.46 111.74 1wi2 n PHE 14 Ca 0.00 -1.18 -0.31 0.00 1.01 0.00 0.00 57.45 56.98 1wi2 n PHE 14 Cb 0.00 0.85 0.19 0.00 -0.01 0.00 0.00 39.48 40.51 1wi2 n PHE 14 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1wi2 n LEU 15 N -0.69 1.16 0.00 4.37 4.77 -1.26 -4.82 117.00 120.52 1wi2 n LEU 15 Ca -0.18 0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 1wi2 n LEU 15 Cb 0.82 -1.34 0.20 0.00 -2.33 0.00 0.00 43.42 40.77 1wi2 n LEU 15 CO -0.12 -2.75 0.67 -0.81 -1.33 0.00 0.00 177.39 173.04 1wi2 n PRO 16 N -3.89 -2.04 -4.03 3.23 -0.04 -1.26 -4.82 135.00 122.15 1wi2 n PRO 16 Ca 0.08 -1.71 -0.08 0.00 -0.04 0.00 0.00 63.50 61.76 1wi2 n PRO 16 Cb 0.53 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1wi2 n PRO 16 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wi2 s ARG 17 N -5.42 0.59 -0.34 0.54 1.70 0.67 -4.99 118.95 111.70 1wi2 s ARG 17 Ca 0.66 -1.04 -0.07 0.00 -0.47 0.00 0.00 55.73 54.80 1wi2 s ARG 17 Cb -0.04 0.21 0.03 0.00 -0.57 0.00 0.00 34.95 34.58 1wi2 s ARG 17 CO 0.48 -0.12 0.12 0.42 -1.08 0.00 0.00 175.30 175.12 1wi2 s ILE 18 N -3.39 3.99 -0.62 4.99 -1.09 -1.26 -0.96 121.20 122.86 1wi2 s ILE 18 Ca 0.02 -1.00 -0.15 0.00 -2.23 0.00 0.00 60.65 57.29 1wi2 s ILE 18 Cb 0.04 -3.22 0.16 0.00 -1.58 0.00 0.00 42.46 37.85 1wi2 s ILE 18 CO -0.08 -0.15 0.57 -0.69 -1.23 0.00 0.00 174.94 173.35 1wi2 s VAL 19 N 1.45 5.23 0.04 2.92 1.01 -0.92 -4.99 120.40 125.14 1wi2 s VAL 19 Ca -0.00 -1.83 -0.19 0.00 0.00 0.00 0.00 61.98 59.96 1wi2 s VAL 19 Cb -0.19 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 1wi2 s VAL 19 CO 0.04 -0.91 0.56 -0.89 0.00 0.00 0.00 175.10 173.90 1wi2 s THR 20 N 1.14 4.83 0.30 3.92 2.01 -1.26 -3.84 115.64 122.73 1wi2 s THR 20 Ca 0.08 1.19 0.08 0.00 0.31 0.00 0.00 61.69 63.34 1wi2 s THR 20 Cb -0.24 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1wi2 s THR 20 CO -0.01 0.51 0.22 -0.76 -0.69 0.00 0.00 174.62 173.89 1wi2 s LEU 21 N -0.78 3.60 -0.01 4.42 1.02 -0.76 -4.92 118.68 121.26 1wi2 s LEU 21 Ca 0.29 -0.46 0.13 0.00 0.02 0.00 0.00 54.13 54.11 1wi2 s LEU 21 Cb -0.19 -2.17 -0.17 0.00 0.02 0.00 0.00 46.19 43.69 1wi2 s LEU 21 CO 0.18 -0.22 0.44 0.29 0.02 0.00 0.00 176.35 177.06 1wi2 n LYS 22 N -1.25 1.76 -1.34 1.70 4.76 -1.26 -4.24 118.16 118.28 1wi2 n LYS 22 Ca -0.04 -0.05 -0.52 0.00 -2.87 0.00 0.00 58.31 54.82 1wi2 n LYS 22 Cb 0.59 -1.19 -0.07 0.00 -1.84 0.00 0.00 35.03 32.52 1wi2 n LYS 22 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1wi2 n LYS 23 N -1.58 0.00 -1.56 1.97 -0.00 -1.26 -4.88 118.16 110.84 1wi2 n LYS 23 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.01 1wi2 n LYS 23 Cb 0.26 -1.32 0.06 0.00 -0.00 0.00 0.00 35.03 34.03 1wi2 n LYS 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1wi2 s PRO 24 N -0.05 2.78 -0.76 -1.58 0.04 -1.26 -4.80 135.00 129.35 1wi2 s PRO 24 Ca 0.80 0.90 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 1wi2 s PRO 24 Cb -1.12 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 31.32 1wi2 s PRO 24 CO 0.51 -1.20 2.62 -0.35 0.04 0.00 0.00 177.00 178.62 1wi2 n PRO 25 N -3.19 2.30 0.00 0.56 -0.04 -1.26 -2.80 135.00 130.58 1wi2 n PRO 25 Ca 0.07 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1wi2 n PRO 25 Cb 0.54 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1wi2 n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wi2 n GLY 26 N 3.29 0.00 3.28 0.55 0.00 -1.26 -5.04 105.19 106.01 1wi2 n GLY 26 Ca 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 1wi2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wi2 s ALA 27 N 0.00 0.72 0.01 4.61 0.00 -1.12 -5.11 121.76 120.86 1wi2 s ALA 27 Ca 0.00 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.25 1wi2 s ALA 27 Cb 0.00 1.18 -0.07 0.00 0.00 0.00 0.00 23.12 24.23 1wi2 s ALA 27 CO 0.00 -0.63 1.77 1.14 0.00 0.00 0.00 175.76 178.04 1wi2 s GLN 28 N -4.09 4.17 0.23 0.00 -2.07 -1.26 -4.87 119.66 111.77 1wi2 s GLN 28 Ca 0.31 2.38 -0.14 0.00 -1.82 0.00 0.00 55.36 56.09 1wi2 s GLN 28 Cb 0.05 -3.95 0.29 0.00 -1.09 0.00 0.00 33.01 28.31 1wi2 s GLN 28 CO 0.08 -0.86 1.58 1.25 -1.32 0.00 0.00 175.29 176.02 1wi2 h LEU 29 N 9.96 -1.03 0.00 2.60 5.85 -1.99 -3.45 115.31 127.24 1wi2 h LEU 29 Ca -0.44 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1wi2 h LEU 29 Cb 1.20 0.60 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1wi2 h LEU 29 CO 0.94 -0.29 0.00 0.61 -0.34 0.00 0.00 178.44 179.36 1wi2 n GLY 30 N -1.51 0.71 3.39 3.75 0.00 -1.26 -4.72 105.19 105.55 1wi2 n GLY 30 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.45 0.11 1.61 -0.71 -1.26 0.19 117.98 115.46 1wi2 s PHE 31 Ca 0.00 0.23 0.05 0.00 -1.04 0.00 0.00 56.93 56.17 1wi2 s PHE 31 Cb 0.00 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 1wi2 s PHE 31 CO 0.00 -0.81 0.02 -0.80 -1.34 0.00 0.00 175.22 172.29 1wi2 s ASN 32 N -2.74 5.07 0.02 1.98 0.01 0.30 -4.93 114.94 114.65 1wi2 s ASN 32 Ca 0.01 -0.20 0.08 0.00 -0.71 0.00 0.00 52.86 52.04 1wi2 s ASN 32 Cb -0.00 -1.21 -0.03 0.00 0.41 0.00 0.00 41.25 40.42 1wi2 s ASN 32 CO -0.12 0.15 -0.23 0.27 -1.51 0.00 0.00 177.10 175.65 1wi2 s ILE 33 N -1.44 2.37 0.32 0.60 -5.25 -1.26 -0.94 121.20 115.60 1wi2 s ILE 33 Ca 0.27 -1.21 -0.02 0.00 -0.99 0.00 0.00 60.65 58.70 1wi2 s ILE 33 Cb -0.11 -1.92 -0.01 0.00 2.95 0.00 0.00 42.46 43.37 1wi2 s ILE 33 CO 0.19 0.43 0.42 0.00 -1.79 0.00 0.00 174.94 174.20 1wi2 s ARG 34 N -1.09 1.79 0.00 0.37 1.70 -0.99 -4.78 118.95 115.96 1wi2 s ARG 34 Ca 0.12 -1.72 0.00 0.00 -0.47 0.00 0.00 55.73 53.66 1wi2 s ARG 34 Cb -0.10 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1wi2 s ARG 34 CO 0.02 -0.72 0.00 0.41 -1.08 0.00 0.00 175.30 173.93 1wi2 n GLY 35 N -0.52 0.08 5.63 3.88 0.00 -1.26 -1.15 105.19 111.86 1wi2 n GLY 35 Ca 0.01 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 1.73 0.28 -0.02 0.00 -1.03 -4.88 105.19 101.28 1wi2 n GLY 36 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.75 1wi2 n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wi2 n LYS 37 N 0.00 -0.62 0.08 1.61 4.81 -1.26 -3.07 118.16 119.70 1wi2 n LYS 37 Ca 0.00 0.47 -0.15 0.00 -0.87 0.00 0.00 58.31 57.76 1wi2 n LYS 37 Cb 0.00 -0.73 -0.09 0.00 0.02 0.00 0.00 35.03 34.23 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wi2 h ALA 38 N -0.27 -0.87 -3.00 3.14 0.00 -2.04 -3.15 119.26 113.08 1wi2 h ALA 38 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wi2 h ALA 38 Cb 0.26 0.86 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wi2 h ALA 38 CO 0.01 -1.06 0.00 0.43 0.00 0.00 0.00 179.25 178.63 1wi2 n SER 39 N -5.47 0.00 0.00 0.00 7.64 -1.26 -4.93 113.62 109.60 1wi2 n SER 39 Ca -0.07 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1wi2 n SER 39 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1wi2 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wi2 n GLN 40 N -0.95 0.00 0.00 1.43 10.64 -1.18 -5.15 117.38 122.17 1wi2 n GLN 40 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1wi2 n GLN 40 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1wi2 n GLN 40 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1wi2 n LEU 41 N 0.00 0.00 -4.00 2.61 7.94 -1.18 -3.76 117.00 118.61 1wi2 n LEU 41 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 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 0.26 -0.83 -1.11 0.00 0.00 177.39 175.71 1wi2 s GLY 42 N -0.20 1.12 -0.05 -3.96 0.00 -1.26 -4.50 107.32 98.47 1wi2 s GLY 42 Ca 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 44.72 43.27 1wi2 s GLY 42 CO 0.00 -0.78 0.50 -0.42 0.00 0.00 0.00 173.10 172.41 1wi2 s ILE 43 N -2.87 5.06 0.15 0.90 -1.09 -1.26 -2.46 121.20 119.63 1wi2 s ILE 43 Ca 0.26 1.03 0.04 0.00 -2.23 0.00 0.00 60.65 59.75 1wi2 s ILE 43 Cb -0.02 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1wi2 s ILE 43 CO 0.17 0.41 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.84 1wi2 s PHE 44 N -0.02 1.24 -1.09 3.97 0.40 -0.30 0.75 117.98 122.93 1wi2 s PHE 44 Ca 0.27 -0.79 -0.23 0.00 -0.60 0.00 0.00 56.93 55.58 1wi2 s PHE 44 Cb -0.17 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.68 1wi2 s PHE 44 CO 0.13 0.04 1.87 0.42 0.70 0.00 0.00 175.22 178.39 1wi2 s ILE 45 N -3.38 3.62 0.10 0.64 -1.09 -0.06 -2.33 121.20 118.70 1wi2 s ILE 45 Ca 0.17 -0.86 -0.28 0.00 -2.23 0.00 0.00 60.65 57.45 1wi2 s ILE 45 Cb 0.03 -4.51 -0.11 0.00 -1.58 0.00 0.00 42.46 36.29 1wi2 s ILE 45 CO 0.00 -1.19 1.46 -1.28 -1.23 0.00 0.00 174.94 172.71 1wi2 h SER 46 N 9.96 -1.48 -5.16 3.58 0.87 -1.34 -3.29 113.55 116.69 1wi2 h SER 46 Ca 0.21 0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.85 1wi2 h SER 46 Cb 0.96 0.58 -0.15 0.00 -0.44 0.00 0.00 62.40 63.35 1wi2 h SER 46 CO 1.27 -0.39 -0.41 -0.75 -0.53 0.00 0.00 176.83 176.01 1wi2 s LYS 47 N -5.25 0.79 -0.04 2.24 2.36 -1.08 -4.85 119.74 113.91 1wi2 s LYS 47 Ca -0.13 -0.95 0.01 0.00 -2.55 0.00 0.00 55.97 52.36 1wi2 s LYS 47 Cb 0.06 0.32 0.02 0.00 -1.05 0.00 0.00 37.83 37.18 1wi2 s LYS 47 CO 0.51 -0.24 -0.05 0.08 1.55 0.00 0.00 175.35 177.20 1wi2 s VAL 48 N -3.70 0.58 0.09 4.02 1.01 -1.26 0.11 120.40 121.25 1wi2 s VAL 48 Ca 0.04 -0.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 1wi2 s VAL 48 Cb 0.04 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.76 1wi2 s VAL 48 CO -0.10 0.23 1.54 -0.63 0.00 0.00 0.00 175.10 176.14 1wi2 s ILE 49 N 0.77 3.11 -0.66 2.22 -1.09 0.50 -4.86 121.20 121.19 1wi2 s ILE 49 Ca -0.11 0.67 -0.06 0.00 -2.23 0.00 0.00 60.65 58.92 1wi2 s ILE 49 Cb -0.14 -3.43 -0.13 0.00 -1.58 0.00 0.00 42.46 37.19 1wi2 s ILE 49 CO 0.01 0.02 2.66 -0.81 -1.23 0.00 0.00 174.94 175.58 1wi2 n PRO 50 N 4.87 2.20 0.00 2.79 -0.04 -1.26 -2.67 135.00 140.89 1wi2 n PRO 50 Ca 0.14 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1wi2 n PRO 50 Cb 0.41 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 3.33 0.00 -3.14 3.54 9.92 -1.26 -5.14 116.55 123.80 1wi2 n ASP 51 Ca 0.47 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.57 1wi2 n ASP 51 Cb 0.41 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.85 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1wi2 n SER 52 N 0.00 1.87 0.08 -2.24 3.41 -1.09 -5.03 113.62 110.61 1wi2 n SER 52 Ca 0.00 -2.24 -0.13 0.00 -0.26 0.00 0.00 58.87 56.24 1wi2 n SER 52 Cb 0.00 0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.82 0.44 -0.41 4.04 5.19 -1.90 -3.17 116.42 121.44 1wi2 h ASP 53 Ca -0.21 -0.38 -0.10 0.00 -0.62 0.00 0.00 57.03 55.73 1wi2 h ASP 53 Cb 0.70 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1wi2 h ASP 53 CO 0.33 1.20 -0.09 0.00 -3.12 0.00 0.00 179.24 177.57 1wi2 h ALA 54 N 0.76 0.94 -0.94 3.45 0.00 -1.87 0.78 119.26 122.37 1wi2 h ALA 54 Ca -0.08 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.59 1wi2 h ALA 54 Cb 1.64 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 1wi2 h ALA 54 CO 0.16 0.62 0.61 1.25 0.00 0.00 0.00 179.25 181.89 1wi2 h HIS 55 N 0.78 1.08 0.13 0.00 6.17 -1.76 -1.39 115.15 120.16 1wi2 h HIS 55 Ca 0.13 0.03 -0.26 0.00 0.71 0.00 0.00 60.37 60.98 1wi2 h HIS 55 Cb 0.60 -0.35 0.01 0.00 2.52 0.00 0.00 27.41 30.18 1wi2 h HIS 55 CO 0.03 0.53 -1.26 0.00 0.71 0.00 0.00 177.93 177.95 1wi2 h ARG 56 N 1.03 0.28 -1.34 5.26 -0.00 -1.42 -3.32 114.38 114.86 1wi2 h ARG 56 Ca 0.42 -0.47 0.45 0.00 -0.50 0.00 0.00 59.98 59.88 1wi2 h ARG 56 Cb 0.27 0.18 -0.13 0.00 0.00 0.00 0.00 29.97 30.29 1wi2 h ARG 56 CO -0.17 1.23 0.86 0.00 0.00 0.00 0.00 179.97 181.89 1wi2 h ALA 57 N 0.00 2.77 0.00 0.04 0.00 0.98 -3.43 119.26 119.62 1wi2 h ALA 57 Ca -0.26 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wi2 h ALA 57 Cb 1.76 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1wi2 h ALA 57 CO 0.10 -1.43 0.00 0.41 0.00 0.00 0.00 179.25 178.33 1wi2 n GLY 58 N -1.52 1.16 3.86 0.00 0.00 -0.88 -4.99 105.19 102.81 1wi2 n GLY 58 Ca 0.38 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 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 4.40 -0.06 0.99 1.02 -0.58 -5.06 118.68 119.39 1wi2 s LEU 59 Ca 0.00 0.84 -0.05 0.00 0.02 0.00 0.00 54.13 54.94 1wi2 s LEU 59 Cb 0.00 -2.76 0.02 0.00 0.02 0.00 0.00 46.19 43.47 1wi2 s LEU 59 CO 0.00 0.25 0.16 0.00 0.02 0.00 0.00 176.35 176.78 1wi2 s GLN 60 N -1.51 0.17 -0.58 1.70 -2.07 -1.26 -4.74 119.66 111.36 1wi2 s GLN 60 Ca 0.28 0.24 -0.31 0.00 -1.82 0.00 0.00 55.36 53.75 1wi2 s GLN 60 Cb -0.15 0.06 -0.13 0.00 -1.09 0.00 0.00 33.01 31.69 1wi2 s GLN 60 CO 0.15 -0.04 2.41 0.39 -1.32 0.00 0.00 175.29 176.88 1wi2 n GLU 61 N 3.15 0.73 0.00 9.60 1.02 -1.26 -1.29 120.64 132.59 1wi2 n GLU 61 Ca -0.14 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1wi2 n GLU 61 Cb 0.58 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 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 6.40 4.25 3.56 0.62 0.00 -1.24 -4.86 105.19 113.91 1wi2 n GLY 62 Ca 0.47 -0.66 -0.46 0.00 0.00 0.00 0.00 46.02 45.38 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 0.88 -4.75 1.61 9.92 -0.41 -4.65 116.55 119.16 1wi2 n ASP 63 Ca 0.00 1.17 -0.36 0.00 -0.53 0.00 0.00 54.79 55.07 1wi2 n ASP 63 Cb 0.00 -1.22 -0.08 0.00 -0.64 0.00 0.00 41.12 39.17 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 -1.32 3.16 -0.51 -1.24 0.74 -1.26 -0.88 119.66 118.36 1wi2 s GLN 64 Ca 0.61 -0.31 -0.18 0.00 0.05 0.00 0.00 55.36 55.53 1wi2 s GLN 64 Cb -0.76 -2.93 0.08 0.00 1.10 0.00 0.00 33.01 30.49 1wi2 s GLN 64 CO 0.58 0.72 0.55 0.08 -0.55 0.00 0.00 175.29 176.67 1wi2 s VAL 65 N -0.90 5.02 -0.01 1.34 1.01 0.23 -3.29 120.40 123.80 1wi2 s VAL 65 Ca 0.14 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1wi2 s VAL 65 Cb -0.12 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 1wi2 s VAL 65 CO 0.03 -0.78 0.71 -0.07 0.00 0.00 0.00 175.10 174.99 1wi2 h LEU 66 N 9.34 -0.41 -8.50 3.92 3.38 -1.05 -3.37 115.31 118.62 1wi2 h LEU 66 Ca -0.28 0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.41 1wi2 h LEU 66 Cb 1.10 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.80 1wi2 h LEU 66 CO 0.96 -0.12 -0.72 0.00 0.09 0.00 0.00 178.44 178.65 1wi2 s ALA 67 N -3.91 1.16 -0.18 1.53 0.00 -1.23 -1.13 121.76 117.99 1wi2 s ALA 67 Ca -0.07 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 1wi2 s ALA 67 Cb 0.01 0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.26 1wi2 s ALA 67 CO 0.21 -0.11 0.06 0.08 0.00 0.00 0.00 175.76 176.00 1wi2 s VAL 68 N -3.03 0.27 -0.62 0.00 1.01 0.32 -0.36 120.40 117.98 1wi2 s VAL 68 Ca 0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1wi2 s VAL 68 Cb 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1wi2 s VAL 68 CO -0.01 -0.24 0.17 0.59 0.00 0.00 0.00 175.10 175.60 1wi2 n ASN 69 N 5.15 -3.18 -0.74 3.32 5.03 -0.77 -2.36 115.26 121.71 1wi2 n ASN 69 Ca -0.08 -0.08 -0.08 0.00 0.87 0.00 0.00 54.58 55.20 1wi2 n ASN 69 Cb 0.48 -2.21 -0.03 0.00 -1.02 0.00 0.00 39.78 37.01 1wi2 n ASN 69 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1wi2 n ASP 70 N 0.22 -3.72 -4.50 6.41 -0.08 -1.26 -5.01 116.55 108.62 1wi2 n ASP 70 Ca -0.06 0.15 -0.33 0.00 -1.51 0.00 0.00 54.79 53.03 1wi2 n ASP 70 Cb 0.55 -2.28 -0.13 0.00 2.34 0.00 0.00 41.12 41.61 1wi2 n ASP 70 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1wi2 s VAL 71 N -2.35 3.39 -0.21 5.18 1.01 -0.99 -5.07 120.40 121.36 1wi2 s VAL 71 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1wi2 s VAL 71 Cb 0.00 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1wi2 s VAL 71 CO 0.00 0.57 1.60 -0.62 0.00 0.00 0.00 175.10 176.65 1wi2 s ASP 72 N -0.41 6.41 -0.02 3.32 -1.08 -1.26 -0.52 116.67 123.10 1wi2 s ASP 72 Ca 0.05 1.64 0.20 0.00 -0.52 0.00 0.00 52.55 53.92 1wi2 s ASP 72 Cb -0.12 -2.53 -0.27 0.00 -1.46 0.00 0.00 42.92 38.53 1wi2 s ASP 72 CO 0.02 -1.23 0.57 0.49 0.52 0.00 0.00 175.17 175.54 1wi2 n PHE 73 N 8.34 0.00 -0.38 -5.34 3.01 -0.29 -4.38 117.46 118.43 1wi2 n PHE 73 Ca 0.19 0.00 0.38 0.00 1.01 0.00 0.00 57.45 59.02 1wi2 n PHE 73 Cb 0.45 -0.29 0.65 0.00 -0.01 0.00 0.00 39.48 40.28 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 0.00 0.00 -1.91 -1.08 4.20 -1.68 -2.51 115.11 112.13 1wi2 h GLN 74 Ca 0.00 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.26 1wi2 h GLN 74 Cb 0.74 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.21 1wi2 h GLN 74 CO 0.00 0.00 -0.83 -0.25 -0.67 0.00 0.00 178.83 177.08 1wi2 n ASP 75 N -3.66 -1.38 -4.09 1.46 9.92 -1.26 -4.00 116.55 113.54 1wi2 n ASP 75 Ca 0.30 -2.56 -0.12 0.00 -0.53 0.00 0.00 54.79 51.88 1wi2 n ASP 75 Cb 1.59 0.16 -0.11 0.00 -0.64 0.00 0.00 41.12 42.12 1wi2 n ASP 75 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1wi2 s ILE 76 N 0.26 0.56 0.30 0.53 2.07 -0.94 -5.06 121.20 118.92 1wi2 s ILE 76 Ca 0.32 -1.38 -0.28 0.00 -1.41 0.00 0.00 60.65 57.90 1wi2 s ILE 76 Cb 0.04 -0.98 -0.09 0.00 0.13 0.00 0.00 42.46 41.55 1wi2 s ILE 76 CO -0.15 -0.57 1.08 -1.61 -1.91 0.00 0.00 174.94 171.78 1wi2 s GLU 77 N -2.40 4.56 0.03 3.50 0.41 -1.26 -4.78 118.70 118.76 1wi2 s GLU 77 Ca -0.02 1.73 -0.08 0.00 -0.41 0.00 0.00 54.97 56.19 1wi2 s GLU 77 Cb -0.04 -3.07 -0.03 0.00 -1.78 0.00 0.00 34.13 29.21 1wi2 s GLU 77 CO -0.02 0.16 1.14 1.25 -0.49 0.00 0.00 175.26 177.30 1wi2 h HIS 78 N 3.58 -0.42 -0.78 1.61 -0.00 -1.97 0.63 115.15 117.80 1wi2 h HIS 78 Ca -0.47 0.02 0.18 0.00 -0.00 0.00 0.00 60.37 60.10 1wi2 h HIS 78 Cb 1.21 0.20 -0.13 0.00 -0.00 0.00 0.00 27.41 28.69 1wi2 h HIS 78 CO 0.59 -0.12 0.06 0.77 -0.00 0.00 0.00 177.93 179.22 1wi2 h SER 79 N -0.10 -0.26 -0.40 3.26 0.02 -1.96 0.49 113.55 114.59 1wi2 h SER 79 Ca 0.02 0.19 0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1wi2 h SER 79 Cb 0.15 0.32 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 1wi2 h SER 79 CO -0.14 -0.17 0.01 0.50 -1.14 0.00 0.00 176.83 175.90 1wi2 h LYS 80 N 0.13 0.12 -0.58 3.45 1.63 -1.45 0.86 116.57 120.74 1wi2 h LYS 80 Ca 0.44 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.23 1wi2 h LYS 80 Cb 0.80 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.37 1wi2 h LYS 80 CO -0.66 0.08 0.34 0.00 -3.45 0.00 0.00 179.45 175.77 1wi2 h ALA 81 N 1.34 0.74 -0.10 5.00 0.00 0.45 0.57 119.26 127.27 1wi2 h ALA 81 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wi2 h ALA 81 Cb 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wi2 h ALA 81 CO -0.31 0.22 0.06 0.28 0.00 0.00 0.00 179.25 179.50 1wi2 h VAL 82 N 0.78 1.03 0.86 0.00 2.07 0.11 -1.01 116.25 120.08 1wi2 h VAL 82 Ca 0.21 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 1wi2 h VAL 82 Cb -0.01 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1wi2 h VAL 82 CO -0.04 0.03 -0.41 -0.33 0.02 0.00 0.00 177.57 176.84 1wi2 h GLU 83 N 0.13 -1.11 -0.49 1.57 3.07 0.11 -1.63 114.58 116.23 1wi2 h GLU 83 Ca 0.04 0.08 0.05 0.00 -0.50 0.00 0.00 59.36 59.02 1wi2 h GLU 83 Cb -0.01 0.25 -0.06 0.00 -0.84 0.00 0.00 28.75 28.09 1wi2 h GLU 83 CO -0.01 -0.73 -0.33 0.82 -1.40 0.00 0.00 179.01 177.36 1wi2 h ILE 84 N -1.23 0.00 -0.81 3.13 2.04 0.20 1.26 117.51 122.09 1wi2 h ILE 84 Ca -0.12 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.92 1wi2 h ILE 84 Cb 0.89 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.82 1wi2 h ILE 84 CO 0.19 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 178.16 1wi2 h LEU 85 N -0.05 -0.60 0.00 1.44 3.38 -1.19 0.85 115.31 119.14 1wi2 h LEU 85 Ca 0.08 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1wi2 h LEU 85 Cb 0.25 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1wi2 h LEU 85 CO -0.49 -0.25 0.00 0.29 0.09 0.00 0.00 178.44 178.08 1wi2 n LYS 86 N -5.47 0.00 -0.24 1.13 5.02 0.17 -3.62 118.16 115.15 1wi2 n LYS 86 Ca 0.14 0.44 -0.07 0.00 -2.02 0.00 0.00 58.31 56.79 1wi2 n LYS 86 Cb 0.47 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 1wi2 n LYS 86 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1wi2 h THR 87 N 0.00 0.00 -0.07 -0.18 1.35 0.20 -3.37 112.91 110.84 1wi2 h THR 87 Ca 0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 65.36 1wi2 h THR 87 Cb 0.00 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.33 1wi2 h THR 87 CO 0.00 0.00 1.76 0.00 -0.25 0.00 0.00 175.52 177.03 1wi2 n ALA 88 N -3.13 0.32 -0.35 6.62 0.00 0.29 -4.71 120.51 119.55 1wi2 n ALA 88 Ca 0.01 -0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.17 1wi2 n ALA 88 Cb 0.16 -2.31 0.10 0.00 0.00 0.00 0.00 19.45 17.41 1wi2 n ALA 88 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wi2 n ARG 89 N 8.49 -0.13 -4.80 0.00 -4.01 -1.26 -4.06 116.66 110.89 1wi2 n ARG 89 Ca 0.65 1.49 -0.33 0.00 -1.04 0.00 0.00 57.85 58.62 1wi2 n ARG 89 Cb 0.05 -2.22 -0.15 0.00 -3.04 0.00 0.00 32.46 27.10 1wi2 n ARG 89 CO 0.00 0.00 0.00 -1.83 -3.04 0.00 0.00 177.63 172.76 1wi2 s GLU 90 N -6.11 3.23 -0.09 2.89 -1.05 -1.26 -4.28 118.70 112.03 1wi2 s GLU 90 Ca -0.14 -0.76 -0.26 0.00 -0.15 0.00 0.00 54.97 53.66 1wi2 s GLU 90 Cb 0.24 -2.54 -0.03 0.00 -0.44 0.00 0.00 34.13 31.36 1wi2 s GLU 90 CO 0.73 0.13 0.84 0.42 0.95 0.00 0.00 175.26 178.33 1wi2 s ILE 91 N 0.52 4.93 -0.44 1.83 1.01 -1.26 -4.89 121.20 122.91 1wi2 s ILE 91 Ca -0.11 1.71 0.06 0.00 0.00 0.00 0.00 60.65 62.32 1wi2 s ILE 91 Cb -0.16 -4.17 0.22 0.00 0.01 0.00 0.00 42.46 38.36 1wi2 s ILE 91 CO 0.04 0.14 0.59 -0.24 0.00 0.00 0.00 174.94 175.47 1wi2 n SER 92 N 4.38 -1.20 -4.96 3.58 2.88 -1.26 -1.83 113.62 115.21 1wi2 n SER 92 Ca 0.03 -2.79 -0.22 0.00 -1.33 0.00 0.00 58.87 54.57 1wi2 n SER 92 Cb 0.50 0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 64.23 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 -0.17 3.43 -0.30 -1.46 0.23 -1.25 -1.85 119.30 117.93 1wi2 s MET 93 Ca 0.33 -0.63 -0.06 0.00 -1.03 0.00 0.00 55.69 54.29 1wi2 s MET 93 Cb 0.13 -2.81 0.02 0.00 -1.53 0.00 0.00 34.83 30.63 1wi2 s MET 93 CO -0.16 0.31 0.08 0.50 -2.03 0.00 0.00 175.02 173.72 1wi2 s ARG 94 N -4.11 2.99 0.28 3.16 3.52 0.51 -2.16 118.95 123.15 1wi2 s ARG 94 Ca 0.37 -0.92 0.08 0.00 -0.13 0.00 0.00 55.73 55.13 1wi2 s ARG 94 Cb -0.09 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 1wi2 s ARG 94 CO 0.31 -0.48 0.16 0.14 -0.81 0.00 0.00 175.30 174.63 1wi2 s VAL 95 N 1.47 3.89 -0.12 7.11 -7.23 -0.14 -0.50 120.40 124.88 1wi2 s VAL 95 Ca 0.02 -1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1wi2 s VAL 95 Cb -0.18 -3.19 0.03 0.00 0.56 0.00 0.00 36.38 33.61 1wi2 s VAL 95 CO 0.02 -0.31 0.32 -0.60 -0.31 0.00 0.00 175.10 174.23 1wi2 s ARG 96 N -3.83 0.37 -0.37 4.82 3.52 -1.21 -0.24 118.95 122.01 1wi2 s ARG 96 Ca 0.34 0.46 -0.27 0.00 -0.13 0.00 0.00 55.73 56.13 1wi2 s ARG 96 Cb -0.07 0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 1wi2 s ARG 96 CO 0.24 -0.05 2.11 0.12 -0.81 0.00 0.00 175.30 176.90 1wi2 s PHE 97 N 0.25 1.38 -0.83 5.12 5.36 -1.26 -3.98 117.98 124.02 1wi2 s PHE 97 Ca -0.01 0.86 0.02 0.00 -0.96 0.00 0.00 56.93 56.84 1wi2 s PHE 97 Cb -0.03 -3.91 0.30 0.00 -0.34 0.00 0.00 43.02 39.04 1wi2 s PHE 97 CO -0.00 -3.14 1.24 1.19 -1.46 0.00 0.00 175.22 173.04 1wi2 n PHE 98 N 12.56 3.18 -2.88 10.12 3.72 -1.26 -4.92 117.46 137.98 1wi2 n PHE 98 Ca 0.28 -3.34 -0.01 0.00 -0.05 0.00 0.00 57.45 54.33 1wi2 n PHE 98 Cb 0.49 -0.87 -0.01 0.00 -0.94 0.00 0.00 39.48 38.15 1wi2 n PHE 98 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1wi2 n SER 99 N 0.49 -5.78 -0.76 4.37 7.64 -1.26 -5.02 113.62 113.30 1wi2 n SER 99 Ca 0.33 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1wi2 n SER 99 Cb 0.35 -3.71 0.00 0.00 -1.01 0.00 0.00 64.21 59.84 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 1.42 1.56 3.76 0.23 0.00 -1.26 -5.03 105.19 105.88 1wi2 n GLY 100 Ca -0.10 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 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 2.80 4.52 -0.66 1.61 0.04 -1.26 -4.12 135.00 137.94 1wi2 s PRO 101 Ca 0.00 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 1wi2 s PRO 101 Cb 0.00 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.54 1wi2 s PRO 101 CO 0.00 0.14 0.66 0.45 0.04 0.00 0.00 177.00 178.28 1wi2 n SER 102 N 0.86 -7.13 -3.90 6.66 2.88 -1.26 -5.03 113.62 106.71 1wi2 n SER 102 Ca 0.01 -0.09 -0.11 0.00 -1.33 0.00 0.00 58.87 57.34 1wi2 n SER 102 Cb 0.46 -4.38 -0.13 0.00 -0.75 0.00 0.00 64.21 59.41 1wi2 n SER 102 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wi2 s SER 103 N -2.78 0.06 0.00 -3.46 1.04 -1.26 -5.19 113.70 102.11 1wi2 s SER 103 Ca 0.09 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1wi2 s SER 103 Cb -0.02 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1wi2 s SER 103 CO 0.79 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.54