#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 6.18 0.08 1.61 0.15 -1.26 -4.92 113.70 115.54 2cui s SER 2 Ca 0.00 -0.84 -0.25 0.00 0.70 0.00 0.00 55.95 55.56 2cui s SER 2 Cb 0.00 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.81 2cui s SER 2 CO 0.00 -1.79 0.61 -0.94 1.20 0.00 0.00 173.24 172.32 2cui s SER 3 N 4.83 -0.58 0.00 5.45 1.04 -1.26 -5.16 113.70 118.03 2cui s SER 3 Ca 0.44 0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.12 2cui s SER 3 Cb -0.05 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2cui s SER 3 CO 0.04 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2cui n GLY 4 N 0.15 -1.00 3.46 7.32 0.00 -1.26 -4.71 105.19 109.15 2cui n GLY 4 Ca -0.18 -0.12 -0.51 0.00 0.00 0.00 0.00 46.02 45.21 2cui n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cui n SER 5 N 0.00 2.17 -4.73 1.61 2.88 -1.26 -4.90 113.62 109.39 2cui n SER 5 Ca 0.00 0.46 -0.32 0.00 -1.33 0.00 0.00 58.87 57.68 2cui n SER 5 Cb 0.00 -1.26 0.11 0.00 -0.75 0.00 0.00 64.21 62.31 2cui n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cui s SER 6 N 7.03 4.04 0.00 -3.46 0.01 -1.26 -4.88 113.70 115.18 2cui s SER 6 Ca 1.09 2.08 0.00 0.00 1.31 0.00 0.00 55.95 60.43 2cui s SER 6 Cb -0.87 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 62.81 2cui s SER 6 CO 0.50 -2.35 0.00 0.61 0.41 0.00 0.00 173.24 172.41 2cui n GLY 7 N -0.32 -0.56 3.58 3.44 0.00 -1.26 -5.16 105.19 104.91 2cui n GLY 7 Ca 0.11 0.30 -0.05 0.00 0.00 0.00 0.00 46.02 46.38 2cui n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cui s SER 8 N -4.00 -0.20 -0.02 1.61 0.15 -1.26 -5.17 113.70 104.81 2cui s SER 8 Ca 0.00 -0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.61 2cui s SER 8 Cb 0.00 0.24 0.03 0.00 -1.71 0.00 0.00 66.02 64.58 2cui s SER 8 CO 0.00 -0.40 0.04 -0.60 1.20 0.00 0.00 173.24 173.49 2cui s ARG 9 N -2.68 -0.02 0.24 5.44 6.06 -1.26 -5.14 118.95 121.59 2cui s ARG 9 Ca 0.09 0.19 -0.30 0.00 -2.50 0.00 0.00 55.73 53.21 2cui s ARG 9 Cb -0.00 -0.21 -0.09 0.00 0.06 0.00 0.00 34.95 34.70 2cui s ARG 9 CO -0.06 -0.15 1.27 -1.25 -2.50 0.00 0.00 175.30 172.61 2cui s PRO 10 N 0.97 4.42 0.42 5.12 0.04 -1.26 -5.04 135.00 139.68 2cui s PRO 10 Ca -0.08 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.04 2cui s PRO 10 Cb -0.11 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2cui s PRO 10 CO -0.03 -0.16 0.10 1.03 0.04 0.00 0.00 177.00 177.99 2cui s ARG 11 N -0.76 1.96 0.32 4.56 3.00 -1.26 -4.53 118.95 122.25 2cui s ARG 11 Ca 0.53 -2.20 0.07 0.00 0.00 0.00 0.00 55.73 54.13 2cui s ARG 11 Cb -0.36 -0.80 -0.03 0.00 0.00 0.00 0.00 34.95 33.76 2cui s ARG 11 CO 0.42 -0.44 0.30 -0.51 0.00 0.00 0.00 175.30 175.08 2cui s LEU 12 N -3.65 3.68 0.00 2.53 1.43 -1.26 -4.61 118.68 116.80 2cui s LEU 12 Ca 0.21 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 2cui s LEU 12 Cb 0.03 -2.30 0.06 0.00 0.03 0.00 0.00 46.19 44.00 2cui s LEU 12 CO 0.13 -0.31 0.46 -0.24 0.23 0.00 0.00 176.35 176.61 2cui n SER 13 N -1.38 1.46 -4.57 2.29 2.88 -0.81 -5.00 113.62 108.49 2cui n SER 13 Ca -0.03 -2.01 -0.45 0.00 -1.33 0.00 0.00 58.87 55.06 2cui n SER 13 Cb 0.59 -0.23 -0.04 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.71 1.78 -2.99 -1.46 10.64 -1.26 -4.69 117.38 117.69 2cui n GLN 14 Ca 0.08 0.49 -0.43 0.00 -1.83 0.00 0.00 57.00 55.31 2cui n GLN 14 Cb 0.38 -3.05 -0.05 0.00 -0.86 0.00 0.00 30.24 26.66 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 7.98 4.62 0.32 2.61 2.96 -1.26 -4.58 118.68 131.33 2cui s LEU 15 Ca 1.03 -0.81 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 2cui s LEU 15 Cb -0.46 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 2cui s LEU 15 CO 0.39 -1.14 0.11 -0.44 -1.32 0.00 0.00 176.35 173.95 2cui s SER 16 N 3.05 4.67 -0.15 3.68 0.01 -1.16 -4.55 113.70 119.25 2cui s SER 16 Ca 0.21 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 2cui s SER 16 Cb -0.17 -0.78 -0.02 0.00 0.21 0.00 0.00 66.02 65.26 2cui s SER 16 CO 0.13 -0.22 -0.08 -0.69 0.41 0.00 0.00 173.24 172.79 2cui s VAL 17 N -2.39 3.46 0.32 3.43 1.01 -1.26 -1.95 120.40 123.02 2cui s VAL 17 Ca 0.36 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2cui s VAL 17 Cb -0.03 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 2cui s VAL 17 CO 0.22 0.50 -0.12 0.42 0.00 0.00 0.00 175.10 176.12 2cui s THR 18 N 0.42 2.37 -1.46 3.92 -4.23 0.33 -4.72 115.64 112.27 2cui s THR 18 Ca -0.07 -2.26 -0.10 0.00 -1.18 0.00 0.00 61.69 58.09 2cui s THR 18 Cb -0.15 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.19 2cui s THR 18 CO 0.04 -0.27 0.86 0.47 -0.54 0.00 0.00 174.62 175.18 2cui n ASP 19 N -0.75 -5.36 -4.48 3.99 8.00 -1.26 -1.41 116.55 115.27 2cui n ASP 19 Ca -0.05 -0.54 -0.43 0.00 0.71 0.00 0.00 54.79 54.48 2cui n ASP 19 Cb 0.62 -4.29 -0.09 0.00 -0.02 0.00 0.00 41.12 37.34 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 -4.61 0.03 -2.41 2.53 0.31 -1.26 -4.40 118.33 108.53 2cui n VAL 20 Ca -0.01 -0.31 -0.27 0.00 -0.01 0.00 0.00 64.34 63.73 2cui n VAL 20 Cb 0.56 -1.52 0.02 0.00 -0.91 0.00 0.00 33.84 31.99 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 9.32 4.21 0.23 2.52 2.01 0.63 -4.43 115.64 130.13 2cui s THR 21 Ca 1.16 0.18 -0.06 0.00 0.31 0.00 0.00 61.69 63.28 2cui s THR 21 Cb -0.84 -3.65 0.18 0.00 0.01 0.00 0.00 72.50 68.21 2cui s THR 21 CO 0.43 -0.68 1.79 0.71 -0.69 0.00 0.00 174.62 176.18 2cui h THR 22 N -0.07 0.88 0.00 -0.82 1.35 -1.91 -2.26 112.91 110.09 2cui h THR 22 Ca -0.46 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2cui h THR 22 Cb 1.23 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2cui h THR 22 CO 0.61 0.12 -0.11 -1.54 -0.25 0.00 0.00 175.52 174.35 2cui n SER 23 N -4.82 1.47 -3.07 5.36 3.41 -1.26 -3.79 113.62 110.93 2cui n SER 23 Ca 0.11 -2.36 -0.11 0.00 -0.26 0.00 0.00 58.87 56.25 2cui n SER 23 Cb 0.26 -0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2cui n SER 23 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cui s SER 24 N -1.71 0.35 0.04 4.04 1.04 -1.16 -1.18 113.70 115.12 2cui s SER 24 Ca 0.14 -1.26 -0.26 0.00 0.48 0.00 0.00 55.95 55.05 2cui s SER 24 Cb 0.12 0.78 0.09 0.00 0.10 0.00 0.00 66.02 67.11 2cui s SER 24 CO 0.01 -1.54 1.17 0.00 0.98 0.00 0.00 173.24 173.87 2cui n LEU 25 N -0.54 0.00 -4.17 2.42 -0.00 -1.16 0.23 117.00 113.78 2cui n LEU 25 Ca -0.05 -0.73 -0.13 0.00 -0.00 0.00 0.00 56.01 55.10 2cui n LEU 25 Cb 0.60 2.12 -0.11 0.00 -0.00 0.00 0.00 43.42 46.04 2cui n LEU 25 CO 0.27 -0.24 -0.41 -0.60 -0.00 0.00 0.00 177.39 176.42 2cui s ARG 26 N -2.03 0.83 0.27 1.47 3.52 -0.50 -2.95 118.95 119.56 2cui s ARG 26 Ca 0.27 -1.19 0.09 0.00 -0.13 0.00 0.00 55.73 54.77 2cui s ARG 26 Cb -0.01 -0.42 -0.05 0.00 -1.56 0.00 0.00 34.95 32.90 2cui s ARG 26 CO 0.01 0.05 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.90 2cui s LEU 27 N -2.59 2.58 -0.24 -0.88 1.43 0.75 -0.51 118.68 119.22 2cui s LEU 27 Ca 0.07 -1.09 -0.09 0.00 -1.03 0.00 0.00 54.13 51.99 2cui s LEU 27 Cb -0.01 -0.86 0.10 0.00 0.03 0.00 0.00 46.19 45.45 2cui s LEU 27 CO -0.01 -0.14 0.52 0.20 0.23 0.00 0.00 176.35 177.14 2cui s ASN 28 N -3.46 -0.64 0.01 2.29 0.01 -0.82 -3.66 114.94 108.68 2cui s ASN 28 Ca 0.28 1.23 0.01 0.00 -0.71 0.00 0.00 52.86 53.67 2cui s ASN 28 Cb -0.01 1.66 -0.01 0.00 0.41 0.00 0.00 41.25 43.30 2cui s ASN 28 CO 0.12 -0.23 -0.03 -1.66 -1.51 0.00 0.00 177.10 173.80 2cui s TRP 29 N 2.58 0.27 -0.13 2.20 -2.14 -1.21 -2.98 118.94 117.52 2cui s TRP 29 Ca -0.04 -0.23 -0.09 0.00 2.66 0.00 0.00 56.10 58.40 2cui s TRP 29 Cb -0.11 -0.17 -0.04 0.00 -3.10 0.00 0.00 33.47 30.04 2cui s TRP 29 CO -0.15 -0.06 0.18 -2.00 -2.66 0.00 0.00 176.95 172.25 2cui s GLU 30 N -0.64 3.74 0.00 3.25 2.12 -1.26 -4.67 118.70 121.23 2cui s GLU 30 Ca -0.05 -0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 2cui s GLU 30 Cb -0.05 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 2cui s GLU 30 CO -0.00 0.61 0.02 0.00 -0.54 0.00 0.00 175.26 175.35 2cui s ALA 31 N -0.58 -0.03 0.97 6.30 0.00 -1.26 -1.93 121.76 125.23 2cui s ALA 31 Ca 0.14 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 2cui s ALA 31 Cb -0.12 0.06 0.17 0.00 0.00 0.00 0.00 23.12 23.23 2cui s ALA 31 CO 0.04 -0.12 1.09 -1.25 0.00 0.00 0.00 175.76 175.52 2cui s PRO 32 N -0.91 0.64 0.37 0.00 0.04 -1.26 -5.00 135.00 128.88 2cui s PRO 32 Ca -0.10 0.60 -0.27 0.00 0.04 0.00 0.00 61.00 61.28 2cui s PRO 32 Cb -0.06 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 2cui s PRO 32 CO -0.00 -2.61 1.20 -1.25 0.04 0.00 0.00 177.00 174.38 2cui s PRO 33 N -4.95 4.20 -1.08 0.56 0.04 -1.26 -3.12 135.00 129.39 2cui s PRO 33 Ca 0.65 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 2cui s PRO 33 Cb -0.18 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.52 2cui s PRO 33 CO 0.57 -0.23 0.14 0.41 0.04 0.00 0.00 177.00 177.93 2cui n GLY 34 N 0.76 -0.50 0.08 0.56 0.00 -1.26 -4.87 105.19 99.95 2cui n GLY 34 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.99 -0.25 -2.32 4.61 0.00 -1.93 -3.48 119.26 116.88 2cui h ALA 35 Ca -0.32 -0.03 -0.40 0.00 0.00 0.00 0.00 54.91 54.15 2cui h ALA 35 Cb 1.23 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 2cui h ALA 35 CO 0.38 -0.24 -0.73 -0.06 0.00 0.00 0.00 179.25 178.60 2cui s PHE 36 N -1.95 1.52 -0.03 0.00 0.40 -1.26 -4.78 117.98 111.88 2cui s PHE 36 Ca -0.02 -0.63 -0.22 0.00 -0.60 0.00 0.00 56.93 55.45 2cui s PHE 36 Cb 0.00 -0.74 -0.24 0.00 0.51 0.00 0.00 43.02 42.56 2cui s PHE 36 CO 0.06 0.24 1.05 0.22 0.70 0.00 0.00 175.22 177.49 2cui h ASP 37 N 2.76 0.36 -3.67 1.36 3.58 0.62 -3.36 116.42 118.07 2cui h ASP 37 Ca -0.38 -0.78 -0.26 0.00 0.42 0.00 0.00 57.03 56.03 2cui h ASP 37 Cb 1.21 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 42.08 2cui h ASP 37 CO 0.61 1.09 -0.18 -1.54 -2.88 0.00 0.00 179.24 176.34 2cui n SER 38 N -4.37 -0.93 -3.75 2.28 3.41 -0.55 -2.39 113.62 107.31 2cui n SER 38 Ca -0.10 -2.54 -0.24 0.00 -0.26 0.00 0.00 58.87 55.73 2cui n SER 38 Cb 0.59 1.81 -0.17 0.00 -0.26 0.00 0.00 64.21 66.18 2cui n SER 38 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2cui s PHE 39 N -3.28 0.71 -0.47 7.33 0.08 0.64 -1.29 117.98 121.71 2cui s PHE 39 Ca 0.25 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.87 2cui s PHE 39 Cb -0.00 -0.84 0.10 0.00 -0.57 0.00 0.00 43.02 41.70 2cui s PHE 39 CO 0.18 -0.39 0.36 -1.17 -0.10 0.00 0.00 175.22 174.09 2cui s LEU 40 N 1.96 5.59 -0.05 -0.37 2.96 -0.52 -1.78 118.68 126.46 2cui s LEU 40 Ca 0.04 -1.60 -0.18 0.00 -0.22 0.00 0.00 54.13 52.16 2cui s LEU 40 Cb -0.13 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2cui s LEU 40 CO -0.06 -0.66 0.50 -0.22 -1.32 0.00 0.00 176.35 174.59 2cui s LEU 41 N 1.50 4.37 -0.18 -0.68 2.96 -0.92 -2.17 118.68 123.56 2cui s LEU 41 Ca 0.04 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 2cui s LEU 41 Cb -0.25 -2.74 0.03 0.00 0.50 0.00 0.00 46.19 43.72 2cui s LEU 41 CO 0.03 0.11 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.89 2cui s ARG 42 N -0.03 2.43 -0.23 1.98 0.52 -0.19 -1.08 118.95 122.35 2cui s ARG 42 Ca 0.27 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.68 2cui s ARG 42 Cb -0.16 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 32.92 2cui s ARG 42 CO 0.13 -0.30 -0.05 -0.59 0.02 0.00 0.00 175.30 174.51 2cui s PHE 43 N 1.38 2.97 0.22 -0.53 -0.71 -1.23 -2.07 117.98 118.01 2cui s PHE 43 Ca 0.02 -1.12 0.05 0.00 -1.04 0.00 0.00 56.93 54.85 2cui s PHE 43 Cb -0.14 -2.09 -0.05 0.00 -1.21 0.00 0.00 43.02 39.53 2cui s PHE 43 CO -0.10 -0.61 -0.07 0.20 -1.34 0.00 0.00 175.22 173.30 2cui s GLY 44 N 1.44 1.50 -0.50 1.99 0.00 -1.10 -4.43 107.32 106.22 2cui s GLY 44 Ca 0.05 -1.72 -0.20 0.00 0.00 0.00 0.00 44.72 42.84 2cui s GLY 44 CO -0.04 -1.72 0.68 0.14 0.00 0.00 0.00 173.10 172.16 2cui s VAL 45 N -3.20 4.79 -0.30 1.40 1.01 -1.26 -2.96 120.40 119.88 2cui s VAL 45 Ca 0.25 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 2cui s VAL 45 Cb 0.03 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2cui s VAL 45 CO 0.07 -0.80 1.66 -2.16 0.00 0.00 0.00 175.10 173.88 2cui s PRO 46 N 2.87 3.56 -0.08 2.72 0.04 -1.26 -5.00 135.00 137.85 2cui s PRO 46 Ca 0.19 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 2cui s PRO 46 Cb -0.17 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 2cui s PRO 46 CO 0.15 -1.58 -0.03 -1.54 0.04 0.00 0.00 177.00 174.03 2cui s SER 47 N 5.00 4.93 0.93 6.66 1.04 -1.26 -5.08 113.70 125.91 2cui s SER 47 Ca 0.74 0.05 -0.12 0.00 0.48 0.00 0.00 55.95 57.10 2cui s SER 47 Cb -0.22 -1.34 0.15 0.00 0.10 0.00 0.00 66.02 64.71 2cui s SER 47 CO 0.32 0.36 1.09 -2.16 0.98 0.00 0.00 173.24 173.83 2cui s PRO 48 N -0.78 1.00 0.04 4.02 0.04 -1.26 -4.99 135.00 133.06 2cui s PRO 48 Ca 0.12 0.73 0.19 0.00 0.04 0.00 0.00 61.00 62.08 2cui s PRO 48 Cb -0.11 -1.79 -0.17 0.00 0.04 0.00 0.00 34.50 32.48 2cui s PRO 48 CO 0.02 -2.40 0.70 0.43 0.04 0.00 0.00 177.00 175.79 2cui n SER 49 N -3.98 0.57 0.17 6.66 7.64 -1.26 -4.09 113.62 119.34 2cui n SER 49 Ca 0.06 0.24 0.01 0.00 1.01 0.00 0.00 58.87 60.20 2cui n SER 49 Cb 0.56 0.69 0.32 0.00 -1.01 0.00 0.00 64.21 64.77 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 1.30 -2.40 0.44 1.03 -2.07 -3.44 112.91 107.77 2cui h THR 50 Ca -0.15 -1.42 -0.47 0.00 -0.01 0.00 0.00 66.41 64.37 2cui h THR 50 Cb 1.45 1.75 -0.00 0.00 -1.07 0.00 0.00 68.15 70.27 2cui h THR 50 CO 0.03 0.41 -0.35 -0.76 -0.01 0.00 0.00 175.52 174.83 2cui s LEU 51 N -8.12 4.22 0.08 0.00 1.43 -1.26 -5.10 118.68 109.93 2cui s LEU 51 Ca -0.03 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 2cui s LEU 51 Cb 0.14 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.29 2cui s LEU 51 CO 0.74 -0.14 0.44 -1.61 0.23 0.00 0.00 176.35 176.00 2cui s GLU 52 N -4.08 3.85 0.53 1.70 2.02 -1.26 -4.86 118.70 116.61 2cui s GLU 52 Ca 0.36 0.30 -0.20 0.00 0.02 0.00 0.00 54.97 55.45 2cui s GLU 52 Cb -0.09 -3.03 -0.06 0.00 0.10 0.00 0.00 34.13 31.04 2cui s GLU 52 CO 0.31 0.57 1.13 -1.25 0.02 0.00 0.00 175.26 176.05 2cui s PRO 53 N -1.74 3.41 0.70 0.39 0.04 -1.26 -5.00 135.00 131.54 2cui s PRO 53 Ca 0.32 1.63 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 2cui s PRO 53 Cb -0.15 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.35 2cui s PRO 53 CO 0.17 -0.81 1.23 -1.01 0.04 0.00 0.00 177.00 176.62 2cui s HIS 54 N -1.74 2.09 -1.71 0.56 3.76 -1.26 -4.88 115.29 112.12 2cui s HIS 54 Ca 0.72 1.57 0.15 0.00 -0.15 0.00 0.00 55.06 57.34 2cui s HIS 54 Cb -0.24 -3.53 0.84 0.00 1.11 0.00 0.00 32.58 30.76 2cui s HIS 54 CO 0.28 -2.65 1.38 -0.35 -0.85 0.00 0.00 174.74 172.55 2cui n PRO 55 N -2.42 0.34 -5.25 8.40 -0.04 -1.26 -4.66 135.00 130.12 2cui n PRO 55 Ca 0.14 0.08 -0.31 0.00 -0.04 0.00 0.00 63.50 63.36 2cui n PRO 55 Cb 0.50 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.29 2.20 0.76 0.54 1.70 -1.26 -5.13 118.95 115.47 2cui s ARG 56 Ca 0.19 -0.89 -0.11 0.00 -0.47 0.00 0.00 55.73 54.44 2cui s ARG 56 Cb 0.10 -2.10 0.05 0.00 -0.57 0.00 0.00 34.95 32.43 2cui s ARG 56 CO 0.20 0.55 1.09 -1.25 -1.08 0.00 0.00 175.30 174.82 2cui s PRO 57 N -0.59 2.32 -0.24 3.89 0.04 -1.26 -5.04 135.00 134.11 2cui s PRO 57 Ca 0.09 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2cui s PRO 57 Cb -0.10 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.57 2cui s PRO 57 CO -0.00 -1.60 -0.11 -0.51 0.04 0.00 0.00 177.00 174.82 2cui s LEU 58 N -5.79 3.03 0.07 -3.56 1.43 -1.26 -5.09 118.68 107.51 2cui s LEU 58 Ca 0.62 -0.99 -0.31 0.00 -1.03 0.00 0.00 54.13 52.42 2cui s LEU 58 Cb -0.18 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 2cui s LEU 58 CO 0.54 -0.12 1.50 -0.76 0.23 0.00 0.00 176.35 177.74 2cui s LEU 59 N 1.25 4.35 0.19 1.79 1.02 -1.26 -5.01 118.68 121.01 2cui s LEU 59 Ca -0.02 2.35 -0.04 0.00 0.02 0.00 0.00 54.13 56.44 2cui s LEU 59 Cb -0.17 -3.57 -0.05 0.00 0.02 0.00 0.00 46.19 42.42 2cui s LEU 59 CO -0.07 -0.77 0.43 -1.58 0.02 0.00 0.00 176.35 174.38 2cui s GLN 60 N 1.97 3.62 0.05 1.70 0.74 -1.26 -5.08 119.66 121.40 2cui s GLN 60 Ca 0.68 -0.10 -0.02 0.00 0.05 0.00 0.00 55.36 55.97 2cui s GLN 60 Cb -0.37 -2.79 -0.03 0.00 1.10 0.00 0.00 33.01 30.92 2cui s GLN 60 CO 0.30 0.39 0.00 0.50 -0.55 0.00 0.00 175.29 175.93 2cui s ARG 61 N -2.97 0.62 0.05 1.67 3.52 -1.26 -5.13 118.95 115.45 2cui s ARG 61 Ca 0.42 -1.13 -0.05 0.00 -0.13 0.00 0.00 55.73 54.83 2cui s ARG 61 Cb -0.12 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.48 2cui s ARG 61 CO 0.26 -0.13 0.09 -1.83 -0.81 0.00 0.00 175.30 172.88 2cui s GLU 62 N -3.71 0.64 0.18 5.12 1.03 -1.26 -3.51 118.70 117.19 2cui s GLU 62 Ca 0.05 -0.88 0.06 0.00 0.03 0.00 0.00 54.97 54.23 2cui s GLU 62 Cb 0.06 0.25 -0.04 0.00 -0.80 0.00 0.00 34.13 33.60 2cui s GLU 62 CO -0.09 -0.16 0.10 -1.17 -1.33 0.00 0.00 175.26 172.60 2cui s LEU 63 N -2.42 3.65 -0.24 1.83 2.96 -0.24 -4.93 118.68 119.29 2cui s LEU 63 Ca -0.01 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2cui s LEU 63 Cb 0.02 -2.26 0.07 0.00 0.50 0.00 0.00 46.19 44.52 2cui s LEU 63 CO -0.07 0.07 0.02 -0.32 -1.32 0.00 0.00 176.35 174.73 2cui s MET 64 N -3.12 1.02 -0.02 1.98 1.75 -1.26 -2.16 119.30 117.50 2cui s MET 64 Ca 0.30 -0.81 0.03 0.00 -1.25 0.00 0.00 55.69 53.97 2cui s MET 64 Cb -0.10 -2.29 -0.00 0.00 2.84 0.00 0.00 34.83 35.29 2cui s MET 64 CO 0.22 -0.71 -0.11 0.08 -0.65 0.00 0.00 175.02 173.85 2cui s VAL 65 N 1.62 0.93 0.58 10.11 1.01 -0.73 -4.94 120.40 128.98 2cui s VAL 65 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 2cui s VAL 65 Cb -0.18 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2cui s VAL 65 CO -0.11 0.28 1.12 -2.16 0.00 0.00 0.00 175.10 174.23 2cui s PRO 66 N -0.00 3.19 0.29 2.72 0.04 -1.26 0.23 135.00 140.21 2cui s PRO 66 Ca -0.00 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.60 2cui s PRO 66 Cb -0.08 -1.99 0.72 0.00 0.04 0.00 0.00 34.50 33.20 2cui s PRO 66 CO 0.00 -0.97 1.66 0.78 0.04 0.00 0.00 177.00 178.51 2cui h GLY 67 N 0.84 1.41 1.08 0.56 0.00 -1.62 0.67 103.07 106.01 2cui h GLY 67 Ca -0.49 -0.07 0.13 0.00 0.00 0.00 0.00 47.33 46.90 2cui h GLY 67 CO 0.56 -0.35 0.34 0.00 0.00 0.00 0.00 176.54 177.09 2cui h THR 68 N 0.25 0.68 -3.42 4.70 1.03 -1.86 -3.38 112.91 110.91 2cui h THR 68 Ca 0.56 0.00 -0.65 0.00 -0.01 0.00 0.00 66.41 66.30 2cui h THR 68 Cb 1.11 0.76 -0.26 0.00 -1.07 0.00 0.00 68.15 68.69 2cui h THR 68 CO -0.62 0.00 -0.70 -0.13 -0.01 0.00 0.00 175.52 174.06 2cui s ARG 69 N -4.93 3.46 -0.69 0.00 0.52 0.23 -5.03 118.95 112.51 2cui s ARG 69 Ca -0.05 -0.59 0.04 0.00 -0.52 0.00 0.00 55.73 54.61 2cui s ARG 69 Cb 0.18 -3.03 0.28 0.00 0.52 0.00 0.00 34.95 32.91 2cui s ARG 69 CO 0.68 -0.12 0.93 0.72 0.02 0.00 0.00 175.30 177.54 2cui n HIS 70 N 4.60 3.56 -3.92 -0.53 8.25 -1.26 -4.22 115.22 121.70 2cui n HIS 70 Ca -0.18 -3.87 -0.10 0.00 -0.26 0.00 0.00 57.72 53.31 2cui n HIS 70 Cb 0.51 -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 -2.61 0.11 -0.17 0.41 1.04 -1.26 -3.34 113.70 107.89 2cui s SER 71 Ca 0.41 -0.30 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 2cui s SER 71 Cb 0.17 0.15 0.08 0.00 0.10 0.00 0.00 66.02 66.52 2cui s SER 71 CO -0.03 -0.30 0.38 0.00 0.98 0.00 0.00 173.24 174.26 2cui s ALA 72 N -1.27 -0.98 -0.27 5.32 0.00 -1.24 -4.88 121.76 118.43 2cui s ALA 72 Ca -0.14 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.22 2cui s ALA 72 Cb -0.08 -1.13 0.06 0.00 0.00 0.00 0.00 23.12 21.96 2cui s ALA 72 CO 0.00 -0.59 -0.08 0.08 0.00 0.00 0.00 175.76 175.17 2cui s VAL 73 N 2.21 2.35 -0.10 0.00 1.01 -1.26 -0.18 120.40 124.43 2cui s VAL 73 Ca -0.03 -1.59 -0.23 0.00 0.00 0.00 0.00 61.98 60.13 2cui s VAL 73 Cb -0.11 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2cui s VAL 73 CO -0.12 -0.05 0.68 -0.76 0.00 0.00 0.00 175.10 174.85 2cui s LEU 74 N 1.13 4.27 0.46 3.92 2.01 -1.15 -4.95 118.68 124.37 2cui s LEU 74 Ca -0.08 1.09 0.05 0.00 0.01 0.00 0.00 54.13 55.20 2cui s LEU 74 Cb -0.20 -3.03 -0.04 0.00 0.01 0.00 0.00 46.19 42.94 2cui s LEU 74 CO -0.04 -0.16 0.10 -0.13 1.01 0.00 0.00 176.35 177.13 2cui s ARG 75 N 1.10 2.14 -1.47 1.70 1.81 -1.26 -2.98 118.95 119.99 2cui s ARG 75 Ca 0.35 -2.14 -0.07 0.00 -1.72 0.00 0.00 55.73 52.15 2cui s ARG 75 Cb -0.17 -1.74 0.02 0.00 -0.45 0.00 0.00 34.95 32.61 2cui s ARG 75 CO 0.15 -0.24 0.86 -0.25 -0.68 0.00 0.00 175.30 175.14 2cui n ASP 76 N -1.23 -6.01 -4.81 0.23 8.00 -1.24 -4.99 116.55 106.50 2cui n ASP 76 Ca -0.09 -0.43 -0.22 0.00 0.71 0.00 0.00 54.79 54.76 2cui n ASP 76 Cb 0.66 -4.80 0.08 0.00 -0.02 0.00 0.00 41.12 37.04 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 -6.98 3.07 0.00 0.64 1.43 -0.33 -5.08 118.68 111.44 2cui s LEU 77 Ca 0.45 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2cui s LEU 77 Cb -0.20 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.06 2cui s LEU 77 CO 0.56 -1.61 0.82 0.54 0.23 0.00 0.00 176.35 176.88 2cui n ARG 78 N -2.61 0.13 -3.79 1.70 1.74 -1.26 -4.67 116.66 107.91 2cui n ARG 78 Ca 0.14 -2.38 -0.37 0.00 -0.77 0.00 0.00 57.85 54.46 2cui n ARG 78 Cb 0.61 -0.49 -0.06 0.00 -1.02 0.00 0.00 32.46 31.50 2cui n ARG 78 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2cui s SER 79 N -4.38 6.49 -1.47 0.55 1.04 -1.25 -4.15 113.70 110.53 2cui s SER 79 Ca 0.55 0.58 -0.04 0.00 0.48 0.00 0.00 55.95 57.52 2cui s SER 79 Cb -0.03 -2.11 0.04 0.00 0.10 0.00 0.00 66.02 64.02 2cui s SER 79 CO 0.36 0.38 0.11 0.61 0.98 0.00 0.00 173.24 175.68 2cui n GLY 80 N 1.87 -0.16 3.28 7.32 0.00 -0.53 -4.90 105.19 112.07 2cui n GLY 80 Ca -0.18 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.01 2.10 -0.25 2.61 2.01 -1.26 -4.86 115.64 111.98 2cui s THR 81 Ca 0.16 -1.06 -0.27 0.00 0.31 0.00 0.00 61.69 60.83 2cui s THR 81 Cb -0.09 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.67 2cui s THR 81 CO 0.91 0.57 0.93 -0.22 -0.69 0.00 0.00 174.62 176.13 2cui s LEU 82 N -0.25 4.08 -0.01 4.42 1.98 -1.26 -2.43 118.68 125.20 2cui s LEU 82 Ca -0.01 1.16 0.04 0.00 -2.89 0.00 0.00 54.13 52.43 2cui s LEU 82 Cb -0.13 -3.35 -0.03 0.00 0.66 0.00 0.00 46.19 43.34 2cui s LEU 82 CO 0.03 -0.61 -0.10 -0.31 -1.89 0.00 0.00 176.35 173.47 2cui s TYR 83 N 3.05 2.80 -0.44 5.38 1.51 -0.85 -4.69 117.35 124.11 2cui s TYR 83 Ca 0.39 -0.09 -0.16 0.00 -1.01 0.00 0.00 57.07 56.20 2cui s TYR 83 Cb -0.15 -1.61 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 2cui s TYR 83 CO 0.07 0.31 0.38 0.45 -1.11 0.00 0.00 175.55 175.65 2cui s SER 84 N -1.17 6.14 0.11 2.29 0.15 -1.16 -3.26 113.70 116.81 2cui s SER 84 Ca 0.15 -1.03 -0.03 0.00 0.70 0.00 0.00 55.95 55.74 2cui s SER 84 Cb -0.11 -2.19 -0.05 0.00 -1.71 0.00 0.00 66.02 61.97 2cui s SER 84 CO 0.05 -0.57 0.31 -0.76 1.20 0.00 0.00 173.24 173.46 2cui s LEU 85 N 1.79 4.31 -0.19 3.45 1.43 -0.78 -2.73 118.68 125.96 2cui s LEU 85 Ca 0.06 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 2cui s LEU 85 Cb -0.21 -3.16 0.09 0.00 0.03 0.00 0.00 46.19 42.95 2cui s LEU 85 CO 0.09 0.10 0.30 -0.89 0.23 0.00 0.00 176.35 176.19 2cui s THR 86 N -1.59 -0.47 0.18 5.49 2.01 -0.88 -1.16 115.64 119.22 2cui s THR 86 Ca 0.38 0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.33 2cui s THR 86 Cb -0.12 -0.64 -0.07 0.00 0.01 0.00 0.00 72.50 71.68 2cui s THR 86 CO 0.26 -0.04 0.53 -0.22 -0.69 0.00 0.00 174.62 174.46 2cui s LEU 87 N 2.45 4.26 -0.12 4.42 2.96 -0.40 -1.03 118.68 131.23 2cui s LEU 87 Ca 0.06 0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 54.93 2cui s LEU 87 Cb -0.14 -3.43 0.03 0.00 0.50 0.00 0.00 46.19 43.16 2cui s LEU 87 CO -0.12 0.03 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.59 2cui s TYR 88 N -1.62 1.22 -1.07 5.38 2.02 -0.92 -1.28 117.35 121.09 2cui s TYR 88 Ca 0.42 -0.62 -0.20 0.00 -0.37 0.00 0.00 57.07 56.29 2cui s TYR 88 Cb -0.13 -1.09 0.08 0.00 -0.40 0.00 0.00 41.96 40.42 2cui s TYR 88 CO 0.20 -0.48 1.43 0.20 -1.57 0.00 0.00 175.55 175.33 2cui s GLY 89 N 1.79 1.58 -0.40 0.71 0.00 -0.90 -1.44 107.32 108.66 2cui s GLY 89 Ca 0.04 -2.59 -0.28 0.00 0.00 0.00 0.00 44.72 41.89 2cui s GLY 89 CO -0.07 2.49 1.67 1.08 0.00 0.00 0.00 173.10 178.27 2cui s LEU 90 N 4.04 3.50 0.00 0.66 2.01 -0.41 -1.18 118.68 127.29 2cui s LEU 90 Ca 0.44 0.99 0.21 0.00 0.01 0.00 0.00 54.13 55.78 2cui s LEU 90 Cb -0.01 -3.38 0.77 0.00 0.01 0.00 0.00 46.19 43.58 2cui s LEU 90 CO -0.06 -1.71 1.56 -2.11 1.01 0.00 0.00 176.35 175.04 2cui n ARG 91 N 8.43 1.71 0.00 1.70 -4.01 -1.21 0.11 116.66 123.39 2cui n ARG 91 Ca 0.20 -1.07 0.00 0.00 -1.04 0.00 0.00 57.85 55.94 2cui n ARG 91 Cb 0.48 -1.40 0.00 0.00 -3.04 0.00 0.00 32.46 28.50 2cui n ARG 91 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2cui n GLY 92 N 1.12 -0.33 0.20 2.89 0.00 -1.26 -4.47 105.19 103.34 2cui n GLY 92 Ca 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 0.37 -5.67 1.61 0.13 -2.02 -3.45 132.00 122.97 2cui h PRO 93 Ca 0.00 -0.20 -0.47 0.00 -0.87 0.00 0.00 66.00 64.46 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 0.75 -0.75 -1.01 -0.23 0.00 0.00 178.00 176.76 2cui s HIS 94 N -4.10 1.74 0.48 1.56 3.76 -1.26 -5.13 115.29 112.34 2cui s HIS 94 Ca -0.06 -0.54 -0.21 0.00 -0.15 0.00 0.00 55.06 54.10 2cui s HIS 94 Cb 0.13 -0.83 -0.07 0.00 1.11 0.00 0.00 32.58 32.92 2cui s HIS 94 CO 0.80 0.35 1.12 0.15 -0.85 0.00 0.00 174.74 176.31 2cui s LYS 95 N -3.36 3.68 -0.24 1.40 1.02 -1.26 -3.34 119.74 117.64 2cui s LYS 95 Ca 0.20 1.62 -0.15 0.00 0.02 0.00 0.00 55.97 57.66 2cui s LYS 95 Cb -0.02 -2.24 -0.10 0.00 -0.52 0.00 0.00 37.83 34.95 2cui s LYS 95 CO 0.07 -0.58 -0.35 0.00 -0.92 0.00 0.00 175.35 173.57 2cui n ALA 96 N -0.78 1.08 -2.44 5.17 0.00 -0.33 -4.85 120.51 118.36 2cui n ALA 96 Ca 0.09 -1.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.30 2cui n ALA 96 Cb 0.50 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 2cui n ALA 96 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2cui s ASP 97 N -6.92 2.32 -0.29 0.00 -4.77 -1.24 -4.99 116.67 100.79 2cui s ASP 97 Ca -0.35 -1.64 -0.11 0.00 -3.30 0.00 0.00 52.55 47.15 2cui s ASP 97 Cb 0.11 0.45 0.12 0.00 -1.09 0.00 0.00 42.92 42.51 2cui s ASP 97 CO 0.47 -0.92 0.63 -0.94 0.70 0.00 0.00 175.17 175.11 2cui s SER 98 N -3.51 -1.02 0.28 2.11 1.04 -1.26 -2.11 113.70 109.22 2cui s SER 98 Ca 0.29 1.50 0.09 0.00 0.48 0.00 0.00 55.95 58.32 2cui s SER 98 Cb 0.03 2.06 -0.04 0.00 0.10 0.00 0.00 66.02 68.17 2cui s SER 98 CO 0.17 -0.22 0.05 -0.51 0.98 0.00 0.00 173.24 173.70 2cui s ILE 99 N 2.66 3.50 -0.12 -1.02 2.07 -0.40 -4.95 121.20 122.94 2cui s ILE 99 Ca -0.06 -1.81 0.03 0.00 -1.41 0.00 0.00 60.65 57.39 2cui s ILE 99 Cb -0.11 -2.94 0.01 0.00 0.13 0.00 0.00 42.46 39.55 2cui s ILE 99 CO -0.18 -0.34 -0.20 -1.10 -1.91 0.00 0.00 174.94 171.21 2cui s GLN 100 N -3.72 2.75 -0.19 3.50 1.11 -1.26 -1.28 119.66 120.56 2cui s GLN 100 Ca 0.33 -0.76 0.00 0.00 0.01 0.00 0.00 55.36 54.94 2cui s GLN 100 Cb -0.06 -2.20 0.04 0.00 -1.01 0.00 0.00 33.01 29.79 2cui s GLN 100 CO 0.21 0.03 -0.07 0.20 0.01 0.00 0.00 175.29 175.67 2cui s GLY 101 N 0.73 1.11 -0.06 3.09 0.00 -0.31 -4.82 107.32 107.05 2cui s GLY 101 Ca -0.10 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 43.47 2cui s GLY 101 CO 0.01 0.86 0.29 -0.51 0.00 0.00 0.00 173.10 173.75 2cui s THR 102 N 1.52 5.25 -0.14 0.90 -4.23 -1.26 -1.87 115.64 115.81 2cui s THR 102 Ca -0.01 0.55 -0.22 0.00 -1.18 0.00 0.00 61.69 60.83 2cui s THR 102 Cb -0.16 -3.57 0.05 0.00 1.34 0.00 0.00 72.50 70.16 2cui s THR 102 CO -0.08 0.58 0.57 0.00 -0.54 0.00 0.00 174.62 175.15 2cui s ALA 103 N -0.94 -1.42 -0.22 3.99 0.00 -1.20 -4.80 121.76 117.16 2cui s ALA 103 Ca 0.19 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 2cui s ALA 103 Cb -0.14 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.44 2cui s ALA 103 CO 0.09 -0.30 -0.07 0.50 0.00 0.00 0.00 175.76 175.97 2cui s ARG 104 N -0.35 3.17 1.14 0.00 3.52 -1.26 -2.01 118.95 123.16 2cui s ARG 104 Ca -0.05 -0.75 -0.14 0.00 -0.13 0.00 0.00 55.73 54.66 2cui s ARG 104 Cb -0.03 -2.93 0.24 0.00 -1.56 0.00 0.00 34.95 30.67 2cui s ARG 104 CO 0.04 -0.25 0.81 0.25 -0.81 0.00 0.00 175.30 175.34 2cui n THR 105 N 4.74 0.00 -2.81 4.11 -2.24 -1.02 -4.86 114.28 112.19 2cui n THR 105 Ca -0.18 -0.37 -0.26 0.00 -2.27 0.00 0.00 64.05 60.96 2cui n THR 105 Cb 0.50 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 2cui n THR 105 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cui s LEU 106 N -5.84 3.68 -0.46 3.22 1.43 -0.86 -3.42 118.68 116.43 2cui s LEU 106 Ca 0.66 0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 54.40 2cui s LEU 106 Cb -0.23 -3.66 0.10 0.00 0.03 0.00 0.00 46.19 42.44 2cui s LEU 106 CO 0.65 -0.57 0.34 -0.44 0.23 0.00 0.00 176.35 176.56 2cui s SER 107 N -4.12 5.78 0.22 2.29 0.01 -1.26 -1.45 113.70 115.17 2cui s SER 107 Ca 0.46 -1.73 0.01 0.00 1.31 0.00 0.00 55.95 56.00 2cui s SER 107 Cb -0.10 -2.04 -0.00 0.00 0.21 0.00 0.00 66.02 64.08 2cui s SER 107 CO 0.42 -0.66 0.03 0.61 0.41 0.00 0.00 173.24 174.05 2cui n GLY 108 N 4.98 3.80 0.22 3.44 0.00 -1.26 -4.98 105.19 111.39 2cui n GLY 108 Ca -0.10 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 2cui n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cui h PRO 109 N 0.00 0.76 -5.47 1.61 0.13 -2.01 -3.41 132.00 123.61 2cui h PRO 109 Ca -0.18 -0.40 -0.21 0.00 -0.87 0.00 0.00 66.00 64.35 2cui h PRO 109 Cb 0.59 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2cui h PRO 109 CO 0.29 1.02 0.72 -1.12 -0.23 0.00 0.00 178.00 178.68 2cui s SER 110 N -6.61 4.13 -0.27 1.44 0.01 -1.26 -4.84 113.70 106.30 2cui s SER 110 Ca -0.12 0.48 -0.13 0.00 1.31 0.00 0.00 55.95 57.50 2cui s SER 110 Cb 0.09 -2.53 0.10 0.00 0.21 0.00 0.00 66.02 63.89 2cui s SER 110 CO 0.84 -3.45 0.63 -0.55 0.41 0.00 0.00 173.24 171.12 2cui s SER 111 N 11.41 -0.93 0.00 2.44 0.15 -1.26 -4.77 113.70 120.74 2cui s SER 111 Ca 0.94 1.44 0.00 0.00 0.70 0.00 0.00 55.95 59.04 2cui s SER 111 Cb -0.15 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.81 2cui s SER 111 CO 0.16 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.98