#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cui s SER 2 N 0.00 4.76 -0.11 1.61 1.04 -1.26 -5.08 113.70 114.66 2cui s SER 2 Ca 0.00 -1.02 -0.01 0.00 0.48 0.00 0.00 55.95 55.41 2cui s SER 2 Cb 0.00 -1.74 0.03 0.00 0.10 0.00 0.00 66.02 64.41 2cui s SER 2 CO 0.00 -0.21 -0.04 -0.94 0.98 0.00 0.00 173.24 173.03 2cui s SER 3 N 1.34 2.08 0.00 7.02 1.04 -1.26 -5.08 113.70 118.83 2cui s SER 3 Ca -0.02 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2cui s SER 3 Cb -0.18 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.23 2cui s SER 3 CO -0.01 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2cui n GLY 4 N 5.01 -0.22 2.91 7.32 0.00 -1.26 -5.09 105.19 113.86 2cui n GLY 4 Ca -0.11 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2cui n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cui s SER 5 N -4.00 3.76 0.05 1.61 0.01 -1.26 -5.12 113.70 108.75 2cui s SER 5 Ca 0.00 -1.15 0.02 0.00 1.31 0.00 0.00 55.95 56.13 2cui s SER 5 Cb 0.00 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 2cui s SER 5 CO 0.00 -0.25 0.05 -0.94 0.41 0.00 0.00 173.24 172.51 2cui s SER 6 N 1.45 5.37 0.99 2.44 1.04 -1.26 -5.10 113.70 118.63 2cui s SER 6 Ca -0.05 -0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 2cui s SER 6 Cb -0.19 -1.42 0.10 0.00 0.10 0.00 0.00 66.02 64.62 2cui s SER 6 CO -0.07 0.21 0.61 0.61 0.98 0.00 0.00 173.24 175.58 2cui n GLY 7 N 0.79 -1.65 3.30 7.32 0.00 -1.26 -4.92 105.19 108.77 2cui n GLY 7 Ca -0.11 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.68 2cui n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cui s SER 8 N -2.20 7.10 0.09 1.61 0.01 -1.26 -5.01 113.70 114.04 2cui s SER 8 Ca 0.61 -3.57 0.07 0.00 1.31 0.00 0.00 55.95 54.37 2cui s SER 8 Cb -0.21 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2cui s SER 8 CO 0.64 -0.29 -0.19 -0.13 0.41 0.00 0.00 173.24 173.69 2cui s ARG 9 N -1.21 1.03 0.36 12.44 3.00 -1.26 -5.13 118.95 128.19 2cui s ARG 9 Ca 0.30 -1.07 -0.27 0.00 0.00 0.00 0.00 55.73 54.68 2cui s ARG 9 Cb -0.10 -1.21 -0.09 0.00 0.00 0.00 0.00 34.95 33.56 2cui s ARG 9 CO -0.09 0.28 1.21 -1.25 0.00 0.00 0.00 175.30 175.45 2cui s PRO 10 N -1.80 4.22 0.44 3.54 0.04 -1.26 -5.05 135.00 135.13 2cui s PRO 10 Ca 0.04 1.96 0.04 0.00 0.04 0.00 0.00 61.00 63.08 2cui s PRO 10 Cb -0.10 -2.87 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 2cui s PRO 10 CO 0.03 -0.21 0.13 1.03 0.04 0.00 0.00 177.00 178.02 2cui s ARG 11 N -2.02 2.04 0.33 4.56 3.00 -1.26 -4.74 118.95 120.86 2cui s ARG 11 Ca 0.53 -2.27 0.07 0.00 0.00 0.00 0.00 55.73 54.06 2cui s ARG 11 Cb -0.34 -0.67 -0.01 0.00 0.00 0.00 0.00 34.95 33.93 2cui s ARG 11 CO 0.44 -0.53 0.42 -0.51 0.00 0.00 0.00 175.30 175.11 2cui s LEU 12 N -3.67 3.88 0.00 2.53 1.43 -1.26 -4.65 118.68 116.94 2cui s LEU 12 Ca 0.19 -0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.11 2cui s LEU 12 Cb 0.01 -2.61 0.09 0.00 0.03 0.00 0.00 46.19 43.71 2cui s LEU 12 CO 0.13 -0.40 0.74 -0.24 0.23 0.00 0.00 176.35 176.81 2cui n SER 13 N -1.56 2.23 -4.53 2.29 2.88 -0.80 -4.99 113.62 109.13 2cui n SER 13 Ca -0.01 -2.60 -0.47 0.00 -1.33 0.00 0.00 58.87 54.46 2cui n SER 13 Cb 0.58 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.63 2cui n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cui n GLN 14 N -2.19 1.53 -2.84 -1.46 10.64 -1.26 -4.64 117.38 117.16 2cui n GLN 14 Ca 0.13 0.42 -0.43 0.00 -1.83 0.00 0.00 57.00 55.30 2cui n GLN 14 Cb 0.61 -2.83 -0.04 0.00 -0.86 0.00 0.00 30.24 27.12 2cui n GLN 14 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2cui s LEU 15 N 7.65 4.17 0.33 2.61 2.96 -1.26 -4.63 118.68 130.50 2cui s LEU 15 Ca 1.05 -0.55 0.08 0.00 -0.22 0.00 0.00 54.13 54.49 2cui s LEU 15 Cb -0.61 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 2cui s LEU 15 CO 0.43 -1.30 0.16 -0.55 -1.32 0.00 0.00 176.35 173.77 2cui s SER 16 N 3.10 4.81 -0.13 3.68 0.15 -1.20 -4.61 113.70 119.50 2cui s SER 16 Ca 0.28 -0.69 -0.00 0.00 0.70 0.00 0.00 55.95 56.23 2cui s SER 16 Cb -0.14 -0.81 -0.01 0.00 -1.71 0.00 0.00 66.02 63.35 2cui s SER 16 CO 0.16 -0.27 -0.13 -0.69 1.20 0.00 0.00 173.24 173.51 2cui s VAL 17 N -2.38 3.06 0.19 4.45 1.01 -1.26 -2.00 120.40 123.46 2cui s VAL 17 Ca 0.38 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.79 2cui s VAL 17 Cb -0.04 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2cui s VAL 17 CO 0.23 0.52 -0.20 0.42 0.00 0.00 0.00 175.10 176.08 2cui s THR 18 N 0.39 2.03 -1.30 3.92 -4.23 0.14 -4.73 115.64 111.85 2cui s THR 18 Ca -0.10 -2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 2cui s THR 18 Cb -0.16 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.71 2cui s THR 18 CO 0.05 -0.29 0.51 0.47 -0.54 0.00 0.00 174.62 174.82 2cui n ASP 19 N 0.14 -5.37 -4.46 3.99 8.00 -1.26 -1.77 116.55 115.82 2cui n ASP 19 Ca -0.12 -0.24 -0.46 0.00 0.71 0.00 0.00 54.79 54.69 2cui n ASP 19 Cb 0.57 -4.21 -0.10 0.00 -0.02 0.00 0.00 41.12 37.36 2cui n ASP 19 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2cui n VAL 20 N -4.31 0.03 -2.36 2.53 0.31 -1.26 -4.45 118.33 108.83 2cui n VAL 20 Ca -0.10 -0.23 -0.28 0.00 -0.01 0.00 0.00 64.34 63.72 2cui n VAL 20 Cb 0.60 -1.28 0.02 0.00 -0.91 0.00 0.00 33.84 32.27 2cui n VAL 20 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2cui s THR 21 N 8.75 4.33 0.20 2.52 2.01 0.57 -4.56 115.64 129.45 2cui s THR 21 Ca 1.19 0.27 -0.14 0.00 0.31 0.00 0.00 61.69 63.32 2cui s THR 21 Cb -0.97 -3.69 0.18 0.00 0.01 0.00 0.00 72.50 68.03 2cui s THR 21 CO 0.47 -0.75 1.65 0.71 -0.69 0.00 0.00 174.62 176.01 2cui h THR 22 N -0.08 0.48 0.00 -0.82 1.35 -1.91 -2.90 112.91 109.03 2cui h THR 22 Ca -0.46 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2cui h THR 22 Cb 1.22 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 2cui h THR 22 CO 0.62 0.01 -0.15 -1.20 -0.25 0.00 0.00 175.52 174.54 2cui n SER 23 N -5.35 1.75 -3.05 5.36 7.64 -1.26 -3.52 113.62 115.20 2cui n SER 23 Ca 0.06 -2.86 -0.11 0.00 1.01 0.00 0.00 58.87 56.97 2cui n SER 23 Cb 0.30 -0.38 -0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2cui n SER 23 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cui s SER 24 N -2.45 0.42 0.06 6.43 0.15 -1.11 0.00 113.70 117.22 2cui s SER 24 Ca 0.25 -1.30 -0.26 0.00 0.70 0.00 0.00 55.95 55.33 2cui s SER 24 Cb 0.22 0.77 0.09 0.00 -1.71 0.00 0.00 66.02 65.39 2cui s SER 24 CO 0.02 -1.53 1.19 -1.48 1.20 0.00 0.00 173.24 172.63 2cui s LEU 25 N -3.15 -0.01 0.03 3.45 0.05 -1.14 0.21 118.68 118.13 2cui s LEU 25 Ca 0.22 -0.37 0.03 0.00 0.05 0.00 0.00 54.13 54.06 2cui s LEU 25 Cb -0.03 1.63 -0.02 0.00 -2.05 0.00 0.00 46.19 45.72 2cui s LEU 25 CO 0.15 -0.56 -0.09 -0.60 -0.55 0.00 0.00 176.35 174.70 2cui s ARG 26 N -2.15 0.63 0.31 1.48 3.52 -0.73 -2.92 118.95 119.08 2cui s ARG 26 Ca 0.25 -0.61 0.09 0.00 -0.13 0.00 0.00 55.73 55.33 2cui s ARG 26 Cb -0.01 -0.53 -0.05 0.00 -1.56 0.00 0.00 34.95 32.81 2cui s ARG 26 CO 0.01 0.12 0.02 -0.51 -0.81 0.00 0.00 175.30 174.14 2cui s LEU 27 N -1.07 3.11 -0.24 -0.88 1.43 0.75 0.24 118.68 122.01 2cui s LEU 27 Ca -0.03 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.20 2cui s LEU 27 Cb -0.07 -1.57 0.12 0.00 0.03 0.00 0.00 46.19 44.70 2cui s LEU 27 CO 0.01 -0.14 0.49 0.20 0.23 0.00 0.00 176.35 177.13 2cui s ASN 28 N -3.72 -0.52 0.03 2.29 0.01 -0.85 -3.58 114.94 108.60 2cui s ASN 28 Ca 0.34 0.97 0.04 0.00 -0.71 0.00 0.00 52.86 53.50 2cui s ASN 28 Cb -0.03 1.64 -0.02 0.00 0.41 0.00 0.00 41.25 43.25 2cui s ASN 28 CO 0.20 -0.25 -0.13 -1.66 -1.51 0.00 0.00 177.10 173.76 2cui s TRP 29 N 2.70 1.11 -0.13 2.20 -2.14 -1.21 -3.22 118.94 118.26 2cui s TRP 29 Ca 0.03 -0.33 -0.11 0.00 2.66 0.00 0.00 56.10 58.36 2cui s TRP 29 Cb -0.13 -0.67 -0.05 0.00 -3.10 0.00 0.00 33.47 29.52 2cui s TRP 29 CO -0.16 0.01 0.22 -2.00 -2.66 0.00 0.00 176.95 172.36 2cui s GLU 30 N -0.98 3.89 -0.03 3.25 2.12 -1.26 -4.65 118.70 121.05 2cui s GLU 30 Ca 0.01 -0.01 -0.06 0.00 0.36 0.00 0.00 54.97 55.27 2cui s GLU 30 Cb -0.07 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 31.02 2cui s GLU 30 CO 0.01 0.52 0.14 0.00 -0.54 0.00 0.00 175.26 175.39 2cui s ALA 31 N -0.34 -0.35 0.94 6.30 0.00 -1.26 -1.91 121.76 125.15 2cui s ALA 31 Ca 0.15 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 2cui s ALA 31 Cb -0.13 -0.08 0.15 0.00 0.00 0.00 0.00 23.12 23.07 2cui s ALA 31 CO 0.04 -0.14 1.09 -1.25 0.00 0.00 0.00 175.76 175.50 2cui s PRO 32 N -0.64 0.90 0.38 0.00 0.04 -1.26 -5.00 135.00 129.42 2cui s PRO 32 Ca -0.07 0.70 -0.26 0.00 0.04 0.00 0.00 61.00 61.40 2cui s PRO 32 Cb -0.04 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 2cui s PRO 32 CO 0.01 -2.45 1.20 -1.25 0.04 0.00 0.00 177.00 174.54 2cui s PRO 33 N -4.94 4.12 -1.50 0.56 0.04 -1.26 -3.30 135.00 128.72 2cui s PRO 33 Ca 0.64 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 63.47 2cui s PRO 33 Cb -0.18 -2.77 0.09 0.00 0.04 0.00 0.00 34.50 31.68 2cui s PRO 33 CO 0.57 -0.28 0.80 0.41 0.04 0.00 0.00 177.00 178.54 2cui n GLY 34 N 0.70 -0.49 0.04 0.56 0.00 -1.26 -4.89 105.19 99.85 2cui n GLY 34 Ca 0.03 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 2cui n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cui h ALA 35 N 0.96 0.00 -3.70 4.61 0.00 -1.94 -3.49 119.26 115.70 2cui h ALA 35 Ca -0.54 -0.32 -0.55 0.00 0.00 0.00 0.00 54.91 53.50 2cui h ALA 35 Cb 1.35 0.25 -0.22 0.00 0.00 0.00 0.00 17.79 19.17 2cui h ALA 35 CO 0.65 0.25 -0.83 -0.06 0.00 0.00 0.00 179.25 179.27 2cui s PHE 36 N -1.71 1.76 0.06 0.00 0.08 -1.26 -4.78 117.98 112.13 2cui s PHE 36 Ca -0.07 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.37 2cui s PHE 36 Cb 0.01 -0.97 -0.11 0.00 -0.57 0.00 0.00 43.02 41.37 2cui s PHE 36 CO 0.11 0.18 1.41 0.22 -0.10 0.00 0.00 175.22 177.04 2cui h ASP 37 N 4.18 0.46 -5.49 1.36 1.82 0.46 -3.31 116.42 115.89 2cui h ASP 37 Ca -0.45 -0.43 -0.26 0.00 -0.39 0.00 0.00 57.03 55.50 2cui h ASP 37 Cb 1.18 -0.13 -0.07 0.00 0.68 0.00 0.00 39.33 40.99 2cui h ASP 37 CO 0.40 0.79 -0.16 -0.94 -1.61 0.00 0.00 179.24 177.72 2cui s SER 38 N -6.14 0.86 -0.10 2.28 1.04 -1.08 -2.85 113.70 107.72 2cui s SER 38 Ca -0.14 -1.46 -0.01 0.00 0.48 0.00 0.00 55.95 54.82 2cui s SER 38 Cb 0.06 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.89 2cui s SER 38 CO 0.76 -1.32 -0.04 -0.36 0.98 0.00 0.00 173.24 173.26 2cui s PHE 39 N -3.01 1.16 -0.41 5.02 0.08 0.36 -1.87 117.98 119.31 2cui s PHE 39 Ca 0.30 -0.51 -0.10 0.00 0.12 0.00 0.00 56.93 56.74 2cui s PHE 39 Cb -0.01 -1.06 0.07 0.00 -0.57 0.00 0.00 43.02 41.45 2cui s PHE 39 CO 0.20 -0.44 0.24 -1.17 -0.10 0.00 0.00 175.22 173.95 2cui s LEU 40 N 1.82 5.03 -0.06 -0.37 2.96 -0.81 -2.40 118.68 124.85 2cui s LEU 40 Ca 0.05 -1.38 -0.18 0.00 -0.22 0.00 0.00 54.13 52.40 2cui s LEU 40 Cb -0.12 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 2cui s LEU 40 CO -0.07 -0.50 0.51 -0.22 -1.32 0.00 0.00 176.35 174.75 2cui s LEU 41 N 1.45 4.36 -0.20 -0.68 2.96 -1.13 -1.33 118.68 124.11 2cui s LEU 41 Ca 0.02 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 2cui s LEU 41 Cb -0.22 -2.76 0.04 0.00 0.50 0.00 0.00 46.19 43.75 2cui s LEU 41 CO 0.03 0.10 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.89 2cui s ARG 42 N 0.01 2.44 -0.25 1.98 0.52 0.18 -2.39 118.95 121.45 2cui s ARG 42 Ca 0.27 -0.93 -0.02 0.00 -0.52 0.00 0.00 55.73 54.54 2cui s ARG 42 Cb -0.16 -2.55 0.03 0.00 0.52 0.00 0.00 34.95 32.78 2cui s ARG 42 CO 0.13 -0.37 -0.06 -0.59 0.02 0.00 0.00 175.30 174.44 2cui s PHE 43 N 1.30 3.07 0.31 -0.53 -0.71 -1.25 -0.83 117.98 119.34 2cui s PHE 43 Ca -0.00 -1.56 0.10 0.00 -1.04 0.00 0.00 56.93 54.43 2cui s PHE 43 Cb -0.16 -2.06 -0.06 0.00 -1.21 0.00 0.00 43.02 39.54 2cui s PHE 43 CO -0.09 -0.73 -0.12 0.20 -1.34 0.00 0.00 175.22 173.13 2cui s GLY 44 N 1.32 2.02 -0.50 1.99 0.00 -0.95 -4.58 107.32 106.62 2cui s GLY 44 Ca 0.00 -1.98 -0.20 0.00 0.00 0.00 0.00 44.72 42.54 2cui s GLY 44 CO -0.04 -1.97 0.68 0.14 0.00 0.00 0.00 173.10 171.90 2cui s VAL 45 N -2.65 4.78 -0.32 1.40 1.01 -1.26 -2.84 120.40 120.52 2cui s VAL 45 Ca 0.31 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 2cui s VAL 45 Cb 0.00 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2cui s VAL 45 CO 0.15 -0.80 1.68 -2.16 0.00 0.00 0.00 175.10 173.96 2cui s PRO 46 N 2.89 3.50 -0.14 2.72 0.04 -1.26 -4.99 135.00 137.76 2cui s PRO 46 Ca 0.19 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 2cui s PRO 46 Cb -0.17 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 2cui s PRO 46 CO 0.15 -1.66 0.40 0.45 0.04 0.00 0.00 177.00 176.38 2cui s SER 47 N 5.19 6.57 0.90 6.66 0.15 -1.26 -5.07 113.70 126.84 2cui s SER 47 Ca 0.74 0.68 -0.12 0.00 0.70 0.00 0.00 55.95 57.95 2cui s SER 47 Cb -0.21 -2.24 0.13 0.00 -1.71 0.00 0.00 66.02 61.99 2cui s SER 47 CO 0.32 0.03 1.09 -2.16 1.20 0.00 0.00 173.24 173.73 2cui s PRO 48 N 0.60 1.19 -0.03 5.44 0.04 -1.26 -4.99 135.00 135.99 2cui s PRO 48 Ca 0.22 0.80 0.21 0.00 0.04 0.00 0.00 61.00 62.27 2cui s PRO 48 Cb -0.14 -1.80 -0.30 0.00 0.04 0.00 0.00 34.50 32.29 2cui s PRO 48 CO 0.08 -2.28 0.48 0.43 0.04 0.00 0.00 177.00 175.74 2cui n SER 49 N -3.91 0.07 0.10 6.66 7.64 -1.26 -4.28 113.62 118.65 2cui n SER 49 Ca 0.07 0.03 -0.04 0.00 1.01 0.00 0.00 58.87 59.93 2cui n SER 49 Cb 0.55 1.75 0.10 0.00 -1.01 0.00 0.00 64.21 65.60 2cui n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cui h THR 50 N 0.00 1.45 -2.84 0.44 1.03 -2.05 -3.44 112.91 107.49 2cui h THR 50 Ca -0.07 -2.23 -0.60 0.00 -0.01 0.00 0.00 66.41 63.50 2cui h THR 50 Cb 1.15 2.19 -0.04 0.00 -1.07 0.00 0.00 68.15 70.38 2cui h THR 50 CO 0.00 0.65 -0.50 -0.22 -0.01 0.00 0.00 175.52 175.45 2cui s LEU 51 N -7.65 4.33 -0.28 0.00 0.20 -1.26 -5.07 118.68 108.95 2cui s LEU 51 Ca -0.03 0.24 -0.24 0.00 0.69 0.00 0.00 54.13 54.79 2cui s LEU 51 Cb 0.12 -2.93 -0.00 0.00 -0.43 0.00 0.00 46.19 42.95 2cui s LEU 51 CO 0.79 0.14 0.83 -1.61 -0.29 0.00 0.00 176.35 176.21 2cui s GLU 52 N -2.67 4.08 0.79 1.98 0.41 -1.26 -4.81 118.70 117.23 2cui s GLU 52 Ca 0.35 0.80 -0.11 0.00 -0.41 0.00 0.00 54.97 55.60 2cui s GLU 52 Cb -0.13 -3.69 0.07 0.00 -1.78 0.00 0.00 34.13 28.60 2cui s GLU 52 CO 0.28 -0.61 1.09 -1.25 -0.49 0.00 0.00 175.26 174.28 2cui s PRO 53 N 2.95 2.13 0.07 0.39 0.04 -1.26 -5.06 135.00 134.26 2cui s PRO 53 Ca 0.34 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.53 2cui s PRO 53 Cb -0.15 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2cui s PRO 53 CO 0.10 -1.72 0.15 -1.01 0.04 0.00 0.00 177.00 174.56 2cui s HIS 54 N -2.91 3.36 -2.00 0.56 3.76 -1.26 -4.98 115.29 111.81 2cui s HIS 54 Ca 0.61 0.16 0.11 0.00 -0.15 0.00 0.00 55.06 55.79 2cui s HIS 54 Cb -0.17 -1.69 0.65 0.00 1.11 0.00 0.00 32.58 32.48 2cui s HIS 54 CO 0.56 0.55 1.08 -0.35 -0.85 0.00 0.00 174.74 175.74 2cui n PRO 55 N 0.34 0.49 -2.14 8.40 -0.04 -1.26 -4.80 135.00 136.00 2cui n PRO 55 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 2cui n PRO 55 Cb 0.51 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 2cui n PRO 55 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2cui s ARG 56 N -2.00 4.34 0.45 0.54 1.70 -1.26 -4.99 118.95 117.74 2cui s ARG 56 Ca 0.16 2.15 -0.23 0.00 -0.47 0.00 0.00 55.73 57.34 2cui s ARG 56 Cb 0.07 -3.16 -0.07 0.00 -0.57 0.00 0.00 34.95 31.22 2cui s ARG 56 CO 0.13 -0.31 1.17 -1.25 -1.08 0.00 0.00 175.30 173.95 2cui s PRO 57 N -0.23 3.78 -0.32 3.89 0.04 -1.26 -5.03 135.00 135.87 2cui s PRO 57 Ca 0.58 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.41 2cui s PRO 57 Cb -0.39 -2.43 0.08 0.00 0.04 0.00 0.00 34.50 31.80 2cui s PRO 57 CO 0.40 -0.53 0.02 -0.51 0.04 0.00 0.00 177.00 176.42 2cui s LEU 58 N -2.98 4.31 0.06 -3.56 1.02 -1.26 -5.08 118.68 111.19 2cui s LEU 58 Ca 0.63 -1.73 -0.30 0.00 0.02 0.00 0.00 54.13 52.74 2cui s LEU 58 Cb -0.29 -1.66 -0.09 0.00 0.02 0.00 0.00 46.19 44.17 2cui s LEU 58 CO 0.35 -0.33 1.79 -0.22 0.02 0.00 0.00 176.35 177.96 2cui s LEU 59 N 1.08 4.39 0.08 1.79 2.96 -1.26 -4.99 118.68 122.73 2cui s LEU 59 Ca 0.02 2.58 0.01 0.00 -0.22 0.00 0.00 54.13 56.52 2cui s LEU 59 Cb -0.20 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 2cui s LEU 59 CO -0.05 -0.97 0.23 -1.58 -1.32 0.00 0.00 176.35 172.66 2cui s GLN 60 N 3.38 3.44 0.14 1.98 0.74 -1.26 -5.05 119.66 123.02 2cui s GLN 60 Ca 0.80 -0.48 -0.09 0.00 0.05 0.00 0.00 55.36 55.64 2cui s GLN 60 Cb -0.42 -3.02 -0.00 0.00 1.10 0.00 0.00 33.01 30.67 2cui s GLN 60 CO 0.36 0.59 0.26 1.03 -0.55 0.00 0.00 175.29 176.97 2cui s ARG 61 N -2.70 1.05 0.05 1.67 0.52 -1.26 -5.15 118.95 113.12 2cui s ARG 61 Ca 0.35 -1.08 -0.06 0.00 -0.52 0.00 0.00 55.73 54.42 2cui s ARG 61 Cb -0.12 0.37 -0.01 0.00 0.52 0.00 0.00 34.95 35.70 2cui s ARG 61 CO 0.28 -0.37 0.12 -1.21 0.02 0.00 0.00 175.30 174.14 2cui s GLU 62 N -3.92 0.67 0.14 3.54 8.01 -1.26 -3.97 118.70 121.91 2cui s GLU 62 Ca 0.12 -0.84 0.05 0.00 0.01 0.00 0.00 54.97 54.31 2cui s GLU 62 Cb 0.04 0.26 -0.04 0.00 -4.31 0.00 0.00 34.13 30.08 2cui s GLU 62 CO -0.04 -0.18 0.10 -1.17 0.01 0.00 0.00 175.26 173.98 2cui s LEU 63 N -2.40 3.72 -0.23 1.80 2.96 -1.00 -4.94 118.68 118.60 2cui s LEU 63 Ca -0.01 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 2cui s LEU 63 Cb 0.01 -2.36 0.06 0.00 0.50 0.00 0.00 46.19 44.40 2cui s LEU 63 CO -0.07 0.10 -0.04 -0.32 -1.32 0.00 0.00 176.35 174.70 2cui s MET 64 N -2.87 1.51 -0.01 1.98 1.75 -1.26 -2.84 119.30 117.56 2cui s MET 64 Ca 0.30 -0.90 0.02 0.00 -1.25 0.00 0.00 55.69 53.86 2cui s MET 64 Cb -0.11 -2.50 0.00 0.00 2.84 0.00 0.00 34.83 35.07 2cui s MET 64 CO 0.22 -0.59 -0.06 0.08 -0.65 0.00 0.00 175.02 174.02 2cui s VAL 65 N 1.46 0.48 0.40 10.11 1.01 -1.01 -4.96 120.40 127.89 2cui s VAL 65 Ca -0.05 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2cui s VAL 65 Cb -0.18 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 2cui s VAL 65 CO -0.06 0.16 1.19 -2.16 0.00 0.00 0.00 175.10 174.22 2cui s PRO 66 N 0.12 4.06 0.28 2.72 0.04 -1.26 0.14 135.00 141.10 2cui s PRO 66 Ca -0.01 1.90 0.01 0.00 0.04 0.00 0.00 61.00 62.93 2cui s PRO 66 Cb -0.05 -2.71 0.67 0.00 0.04 0.00 0.00 34.50 32.45 2cui s PRO 66 CO -0.00 -0.33 1.45 0.41 0.04 0.00 0.00 177.00 178.56 2cui n GLY 67 N 0.66 -1.30 0.35 0.56 0.00 -1.13 0.14 105.19 104.47 2cui n GLY 67 Ca 0.04 0.92 0.13 0.00 0.00 0.00 0.00 46.02 47.11 2cui n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cui h THR 68 N 0.00 0.70 -3.58 2.61 1.03 -1.88 -3.38 112.91 108.41 2cui h THR 68 Ca 0.55 -0.26 -0.62 0.00 -0.01 0.00 0.00 66.41 66.07 2cui h THR 68 Cb 1.10 -0.13 -0.14 0.00 -1.07 0.00 0.00 68.15 67.91 2cui h THR 68 CO -0.88 0.14 -0.37 -0.13 -0.01 0.00 0.00 175.52 174.26 2cui s ARG 69 N -5.85 4.09 -0.69 0.00 0.52 0.38 -5.01 118.95 112.38 2cui s ARG 69 Ca -0.11 -0.08 0.04 0.00 -0.52 0.00 0.00 55.73 55.06 2cui s ARG 69 Cb 0.25 -3.56 0.28 0.00 0.52 0.00 0.00 34.95 32.44 2cui s ARG 69 CO 0.80 -0.02 0.92 0.72 0.02 0.00 0.00 175.30 177.74 2cui n HIS 70 N 4.50 3.55 -3.93 -0.53 8.25 -1.26 -4.30 115.22 121.49 2cui n HIS 70 Ca -0.12 -3.88 -0.10 0.00 -0.26 0.00 0.00 57.72 53.36 2cui n HIS 70 Cb 0.52 -0.65 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 2cui n HIS 70 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2cui s SER 71 N -2.57 0.15 -0.21 0.41 1.04 -1.26 -3.32 113.70 107.94 2cui s SER 71 Ca 0.41 -0.35 -0.09 0.00 0.48 0.00 0.00 55.95 56.40 2cui s SER 71 Cb 0.17 0.13 0.08 0.00 0.10 0.00 0.00 66.02 66.50 2cui s SER 71 CO -0.03 -0.30 0.47 0.00 0.98 0.00 0.00 173.24 174.37 2cui s ALA 72 N -1.30 -1.30 -0.16 5.32 0.00 -1.24 -4.88 121.76 118.21 2cui s ALA 72 Ca -0.14 1.70 0.01 0.00 0.00 0.00 0.00 51.96 53.53 2cui s ALA 72 Cb -0.08 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.79 2cui s ALA 72 CO -0.00 -0.59 -0.16 0.08 0.00 0.00 0.00 175.76 175.09 2cui s VAL 73 N 2.18 1.76 -0.21 0.00 1.01 -1.26 -0.18 120.40 123.70 2cui s VAL 73 Ca -0.05 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 2cui s VAL 73 Cb -0.10 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 2cui s VAL 73 CO -0.14 0.47 0.11 -0.76 0.00 0.00 0.00 175.10 174.77 2cui s LEU 74 N 1.41 3.99 0.43 3.92 2.01 -1.15 -4.96 118.68 124.33 2cui s LEU 74 Ca 0.04 0.11 0.07 0.00 0.01 0.00 0.00 54.13 54.37 2cui s LEU 74 Cb -0.13 -2.04 -0.04 0.00 0.01 0.00 0.00 46.19 43.99 2cui s LEU 74 CO -0.11 0.13 0.22 -0.13 1.01 0.00 0.00 176.35 177.46 2cui s ARG 75 N 0.64 2.26 -1.10 1.70 0.52 -1.26 -2.89 118.95 118.82 2cui s ARG 75 Ca 0.06 -1.85 -0.05 0.00 -0.52 0.00 0.00 55.73 53.37 2cui s ARG 75 Cb -0.12 -2.02 0.01 0.00 0.52 0.00 0.00 34.95 33.33 2cui s ARG 75 CO 0.01 -0.18 0.94 -0.25 0.02 0.00 0.00 175.30 175.84 2cui n ASP 76 N -1.32 -4.29 -4.97 0.23 8.00 -1.15 -4.96 116.55 108.09 2cui n ASP 76 Ca -0.01 -0.48 -0.20 0.00 0.71 0.00 0.00 54.79 54.80 2cui n ASP 76 Cb 0.64 -4.37 0.06 0.00 -0.02 0.00 0.00 41.12 37.44 2cui n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cui s LEU 77 N -6.09 3.16 0.59 0.64 1.43 0.10 -5.05 118.68 113.46 2cui s LEU 77 Ca 0.30 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2cui s LEU 77 Cb -0.13 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.27 2cui s LEU 77 CO 0.62 -1.35 0.85 -0.13 0.23 0.00 0.00 176.35 176.56 2cui s ARG 78 N -4.71 2.58 -0.05 1.70 0.52 -1.26 -4.62 118.95 113.11 2cui s ARG 78 Ca 0.62 -0.47 -0.21 0.00 -0.52 0.00 0.00 55.73 55.16 2cui s ARG 78 Cb -0.06 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 32.99 2cui s ARG 78 CO 0.39 -0.80 0.59 -1.54 0.02 0.00 0.00 175.30 173.96 2cui s SER 79 N -4.40 6.90 -1.35 0.23 1.04 -1.26 -4.28 113.70 110.58 2cui s SER 79 Ca 0.56 1.08 -0.13 0.00 0.48 0.00 0.00 55.95 57.94 2cui s SER 79 Cb -0.10 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.67 2cui s SER 79 CO 0.41 0.02 0.43 0.61 0.98 0.00 0.00 173.24 175.70 2cui n GLY 80 N 2.81 -0.49 3.23 7.32 0.00 -0.60 -4.82 105.19 112.64 2cui n GLY 80 Ca -0.06 0.26 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 2cui n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cui s THR 81 N -3.88 1.42 -0.29 2.61 2.01 -1.26 -4.87 115.64 111.38 2cui s THR 81 Ca 0.22 -1.41 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 2cui s THR 81 Cb -0.10 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 2cui s THR 81 CO 0.94 -0.12 0.43 -0.22 -0.69 0.00 0.00 174.62 174.95 2cui s LEU 82 N -1.78 4.12 0.08 4.42 1.98 -1.26 -1.85 118.68 124.38 2cui s LEU 82 Ca 0.02 0.26 0.04 0.00 -2.89 0.00 0.00 54.13 51.56 2cui s LEU 82 Cb -0.10 -2.50 -0.04 0.00 0.66 0.00 0.00 46.19 44.21 2cui s LEU 82 CO 0.03 -0.27 0.01 -0.31 -1.89 0.00 0.00 176.35 173.93 2cui s TYR 83 N 2.17 3.03 -0.40 5.38 1.51 -0.95 -4.61 117.35 123.49 2cui s TYR 83 Ca 0.17 0.01 -0.12 0.00 -1.01 0.00 0.00 57.07 56.12 2cui s TYR 83 Cb -0.16 -1.57 0.04 0.00 -0.11 0.00 0.00 41.96 40.17 2cui s TYR 83 CO 0.10 0.48 0.25 0.45 -1.11 0.00 0.00 175.55 175.73 2cui s SER 84 N -2.22 5.82 0.15 2.29 0.15 -1.13 -3.47 113.70 115.29 2cui s SER 84 Ca 0.25 -1.13 -0.01 0.00 0.70 0.00 0.00 55.95 55.76 2cui s SER 84 Cb -0.12 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 2cui s SER 84 CO 0.18 -0.46 0.33 -0.76 1.20 0.00 0.00 173.24 173.73 2cui s LEU 85 N 1.55 4.28 -0.27 3.45 1.43 -0.99 -2.25 118.68 125.90 2cui s LEU 85 Ca 0.03 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2cui s LEU 85 Cb -0.21 -3.11 0.15 0.00 0.03 0.00 0.00 46.19 43.05 2cui s LEU 85 CO 0.06 0.04 0.39 -0.89 0.23 0.00 0.00 176.35 176.18 2cui s THR 86 N -1.72 -0.61 0.32 5.49 2.01 -0.01 -2.35 115.64 118.77 2cui s THR 86 Ca 0.38 -0.19 -0.14 0.00 0.31 0.00 0.00 61.69 62.05 2cui s THR 86 Cb -0.12 -0.90 -0.09 0.00 0.01 0.00 0.00 72.50 71.41 2cui s THR 86 CO 0.28 -0.21 0.71 -0.22 -0.69 0.00 0.00 174.62 174.49 2cui s LEU 87 N 2.54 4.06 -0.08 4.42 2.96 -0.59 -0.65 118.68 131.34 2cui s LEU 87 Ca 0.11 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.26 2cui s LEU 87 Cb -0.14 -4.02 0.02 0.00 0.50 0.00 0.00 46.19 42.54 2cui s LEU 87 CO -0.23 -0.20 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.18 2cui s TYR 88 N -1.99 1.47 -1.23 5.38 2.02 -0.44 -1.83 117.35 120.74 2cui s TYR 88 Ca 0.53 -0.61 -0.14 0.00 -0.37 0.00 0.00 57.07 56.48 2cui s TYR 88 Cb -0.10 -1.13 0.16 0.00 -0.40 0.00 0.00 41.96 40.49 2cui s TYR 88 CO 0.19 -0.36 1.50 0.41 -1.57 0.00 0.00 175.55 175.72 2cui n GLY 89 N 4.18 3.39 3.59 0.71 0.00 0.61 -1.92 105.19 115.75 2cui n GLY 89 Ca -0.20 -1.96 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 2cui n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cui n LEU 90 N 5.78 3.18 -1.48 0.99 7.99 -0.78 -1.15 117.00 131.53 2cui n LEU 90 Ca 0.38 0.22 0.08 0.00 -0.01 0.00 0.00 56.01 56.68 2cui n LEU 90 Cb 0.43 -1.54 0.32 0.00 -0.11 0.00 0.00 43.42 42.52 2cui n LEU 90 CO 0.65 -0.69 0.77 -1.14 -1.51 0.00 0.00 177.39 175.48 2cui n ARG 91 N 8.71 3.50 0.00 3.23 0.63 -1.22 0.11 116.66 131.62 2cui n ARG 91 Ca 0.31 -2.57 0.00 0.00 -0.92 0.00 0.00 57.85 54.66 2cui n ARG 91 Cb 0.43 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.49 2cui n ARG 91 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2cui n GLY 92 N 1.04 0.22 0.17 5.14 0.00 -1.26 -4.71 105.19 105.79 2cui n GLY 92 Ca 0.23 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2cui n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cui h PRO 93 N 0.00 0.52 -5.73 1.61 0.13 -2.01 -3.46 132.00 123.06 2cui h PRO 93 Ca 0.00 -0.28 -0.49 0.00 -0.87 0.00 0.00 66.00 64.37 2cui h PRO 93 Cb 0.00 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 2cui h PRO 93 CO 0.00 0.86 -0.75 -3.38 -0.23 0.00 0.00 178.00 174.50 2cui s HIS 94 N -4.33 1.79 0.55 1.56 -3.43 -1.26 -5.12 115.29 105.04 2cui s HIS 94 Ca -0.13 -0.52 -0.22 0.00 -0.80 0.00 0.00 55.06 53.40 2cui s HIS 94 Cb 0.07 -0.85 -0.05 0.00 -1.43 0.00 0.00 32.58 30.33 2cui s HIS 94 CO 0.79 0.38 1.37 0.15 -2.00 0.00 0.00 174.74 175.43 2cui s LYS 95 N -3.34 3.09 -0.21 -0.38 3.01 -1.26 -3.39 119.74 117.25 2cui s LYS 95 Ca 0.21 2.26 -0.10 0.00 -1.01 0.00 0.00 55.97 57.32 2cui s LYS 95 Cb -0.03 -2.24 -0.09 0.00 -1.01 0.00 0.00 37.83 34.46 2cui s LYS 95 CO 0.07 -1.24 -0.27 0.00 0.51 0.00 0.00 175.35 174.43 2cui n ALA 96 N -1.08 1.63 -2.44 5.17 0.00 -0.30 -4.80 120.51 118.68 2cui n ALA 96 Ca 0.11 -0.84 -0.21 0.00 0.00 0.00 0.00 53.44 52.49 2cui n ALA 96 Cb 0.45 0.21 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 2cui n ALA 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cui s ASP 97 N -6.84 2.59 -0.22 0.00 1.11 -1.22 -4.95 116.67 107.15 2cui s ASP 97 Ca -0.29 -1.28 -0.11 0.00 0.18 0.00 0.00 52.55 51.04 2cui s ASP 97 Cb 0.11 -0.13 0.07 0.00 1.07 0.00 0.00 42.92 44.04 2cui s ASP 97 CO 0.38 -0.47 0.52 -0.94 1.18 0.00 0.00 175.17 175.84 2cui s SER 98 N -3.47 -0.68 0.19 0.27 1.04 -1.26 -0.28 113.70 109.51 2cui s SER 98 Ca 0.33 1.16 0.11 0.00 0.48 0.00 0.00 55.95 58.03 2cui s SER 98 Cb 0.06 1.13 -0.04 0.00 0.10 0.00 0.00 66.02 67.27 2cui s SER 98 CO 0.13 -0.21 -0.24 -0.51 0.98 0.00 0.00 173.24 173.39 2cui s ILE 99 N 1.68 2.35 -0.18 -1.02 2.07 -0.76 -4.97 121.20 120.37 2cui s ILE 99 Ca -0.09 -2.03 -0.01 0.00 -1.41 0.00 0.00 60.65 57.11 2cui s ILE 99 Cb -0.08 -2.12 -0.00 0.00 0.13 0.00 0.00 42.46 40.38 2cui s ILE 99 CO -0.16 -0.11 -0.11 -1.10 -1.91 0.00 0.00 174.94 171.55 2cui s GLN 100 N -2.66 3.29 -0.18 3.50 1.11 -1.26 -1.54 119.66 121.92 2cui s GLN 100 Ca 0.21 -0.70 0.00 0.00 0.01 0.00 0.00 55.36 54.88 2cui s GLN 100 Cb -0.08 -2.76 0.04 0.00 -1.01 0.00 0.00 33.01 29.20 2cui s GLN 100 CO 0.10 -0.04 -0.08 0.20 0.01 0.00 0.00 175.29 175.48 2cui s GLY 101 N 1.00 1.10 -0.11 3.09 0.00 -0.99 -4.84 107.32 106.57 2cui s GLY 101 Ca -0.01 -1.00 -0.08 0.00 0.00 0.00 0.00 44.72 43.63 2cui s GLY 101 CO -0.02 0.82 0.17 -0.51 0.00 0.00 0.00 173.10 173.56 2cui s THR 102 N 1.52 5.45 -0.08 0.90 -4.23 -1.26 -2.34 115.64 115.60 2cui s THR 102 Ca 0.00 0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 60.63 2cui s THR 102 Cb -0.16 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 70.28 2cui s THR 102 CO -0.08 0.61 0.40 0.00 -0.54 0.00 0.00 174.62 175.00 2cui s ALA 103 N -0.96 -1.00 -0.23 3.99 0.00 -1.23 -4.82 121.76 117.51 2cui s ALA 103 Ca 0.16 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 2cui s ALA 103 Cb -0.12 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2cui s ALA 103 CO 0.05 -0.24 -0.06 0.50 0.00 0.00 0.00 175.76 176.00 2cui s ARG 104 N -0.61 3.16 1.37 0.00 3.52 -1.26 -2.23 118.95 122.90 2cui s ARG 104 Ca -0.07 -0.76 -0.20 0.00 -0.13 0.00 0.00 55.73 54.57 2cui s ARG 104 Cb -0.04 -2.96 0.35 0.00 -1.56 0.00 0.00 34.95 30.75 2cui s ARG 104 CO 0.03 -0.26 0.95 0.95 -0.81 0.00 0.00 175.30 176.15 2cui s THR 105 N 1.41 1.40 0.16 4.11 -4.23 -0.77 -4.85 115.64 112.86 2cui s THR 105 Ca 0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.54 2cui s THR 105 Cb -0.15 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.59 2cui s THR 105 CO -0.05 0.00 0.35 -0.76 -0.54 0.00 0.00 174.62 173.62 2cui s LEU 106 N -7.74 4.27 0.11 4.79 1.43 -1.15 -3.67 118.68 116.72 2cui s LEU 106 Ca 0.69 0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 54.12 2cui s LEU 106 Cb -0.16 -3.15 -0.14 0.00 0.03 0.00 0.00 46.19 42.76 2cui s LEU 106 CO 0.60 0.03 1.27 -1.28 0.23 0.00 0.00 176.35 177.19 2cui h SER 107 N 2.42 0.67 -0.89 2.29 0.87 -1.88 -1.60 113.55 115.43 2cui h SER 107 Ca -0.47 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 59.56 2cui h SER 107 Cb 1.18 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2cui h SER 107 CO 0.71 1.33 0.00 0.61 -0.53 0.00 0.00 176.83 178.95 2cui n GLY 108 N 0.98 -0.22 0.00 5.77 0.00 -1.26 -4.72 105.19 105.75 2cui n GLY 108 Ca -0.08 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.46 2cui n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cui n PRO 109 N -0.09 0.49 -3.38 1.61 -0.04 -1.26 -4.75 135.00 127.58 2cui n PRO 109 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2cui n PRO 109 Cb 0.00 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 2cui n PRO 109 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cui s SER 110 N -1.86 6.41 -0.30 3.54 0.15 -1.26 -5.10 113.70 115.28 2cui s SER 110 Ca 0.17 0.64 -0.11 0.00 0.70 0.00 0.00 55.95 57.35 2cui s SER 110 Cb 0.08 -2.11 0.14 0.00 -1.71 0.00 0.00 66.02 62.42 2cui s SER 110 CO 0.13 -0.19 0.75 -0.44 1.20 0.00 0.00 173.24 174.68 2cui s SER 111 N -3.29 -0.99 0.00 5.45 0.01 -1.26 -5.21 113.70 108.41 2cui s SER 111 Ca 0.43 1.32 0.00 0.00 1.31 0.00 0.00 55.95 59.00 2cui s SER 111 Cb -0.11 2.11 0.00 0.00 0.21 0.00 0.00 66.02 68.23 2cui s SER 111 CO 0.31 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.38