#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 6.28 0.15 1.61 0.01 -1.26 -5.02 113.70 115.47 2cui s SER 2 Ca 0.00 -0.62 0.07 0.00 1.31 0.00 0.00 55.95 56.71 2cui s SER 2 Cb 0.00 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 2cui s SER 2 CO 0.00 -1.16 -0.16 -0.55 0.41 0.00 0.00 173.24 171.77 2cui s SER 3 N 2.94 2.43 -0.08 2.44 0.15 -1.26 -5.15 113.70 115.17 2cui s SER 3 Ca 0.25 -0.86 0.01 0.00 0.70 0.00 0.00 55.95 56.05 2cui s SER 3 Cb -0.15 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.01 2cui s SER 3 CO 0.16 -0.09 -0.11 -0.83 1.20 0.00 0.00 173.24 173.57 2cui s GLY 4 N -2.65 1.60 -1.76 9.45 0.00 -1.26 -4.63 107.32 108.08 2cui s GLY 4 Ca 0.14 -0.92 -0.18 0.00 0.00 0.00 0.00 44.72 43.76 2cui s GLY 4 CO 0.05 -0.58 0.57 -1.26 0.00 0.00 0.00 173.10 171.88 2cui n SER 5 N 2.58 -1.83 -4.48 1.64 2.88 -1.26 -4.92 113.62 108.24 2cui n SER 5 Ca -0.18 -1.16 -0.25 0.00 -1.33 0.00 0.00 58.87 55.95 2cui n SER 5 Cb 0.53 -2.05 -0.10 0.00 -0.75 0.00 0.00 64.21 61.83 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 -3.48 2.94 0.00 -3.46 0.01 -1.26 -5.12 113.70 103.32 2cui s SER 6 Ca 0.65 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2cui s SER 6 Cb -0.37 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.80 2cui s SER 6 CO 0.99 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.63 2cui n GLY 7 N -0.83 3.35 0.13 3.44 0.00 -1.26 -5.05 105.19 104.98 2cui n GLY 7 Ca -0.05 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 2cui n GLY 7 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cui h SER 8 N 0.00 0.50 -3.24 1.61 0.87 -2.05 -3.45 113.55 107.79 2cui h SER 8 Ca 0.00 -0.90 -0.55 0.00 -1.23 0.00 0.00 61.79 59.11 2cui h SER 8 Cb 0.00 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2cui h SER 8 CO 0.00 1.68 0.55 -0.13 -0.53 0.00 0.00 176.83 178.40 2cui s ARG 9 N -2.52 4.44 -0.05 2.24 0.52 -1.26 -4.99 118.95 117.33 2cui s ARG 9 Ca -0.18 1.54 -0.30 0.00 -0.52 0.00 0.00 55.73 56.28 2cui s ARG 9 Cb 0.05 -3.49 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 2cui s ARG 9 CO 0.81 -0.27 1.48 -1.25 0.02 0.00 0.00 175.30 176.10 2cui s PRO 10 N 1.62 4.23 0.15 3.54 0.04 -1.26 -5.02 135.00 138.30 2cui s PRO 10 Ca 0.53 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.66 2cui s PRO 10 Cb -0.23 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2cui s PRO 10 CO 0.24 -0.71 -0.15 1.03 0.04 0.00 0.00 177.00 177.44 2cui s ARG 11 N 3.24 1.17 0.55 4.56 1.81 -1.26 -4.71 118.95 124.30 2cui s ARG 11 Ca 0.66 -1.38 -0.03 0.00 -1.72 0.00 0.00 55.73 53.27 2cui s ARG 11 Cb -0.31 -1.07 0.01 0.00 -0.45 0.00 0.00 34.95 33.14 2cui s ARG 11 CO 0.26 0.20 0.81 -0.51 -0.68 0.00 0.00 175.30 175.38 2cui s LEU 12 N -2.74 3.34 0.00 2.53 1.43 -1.26 -4.60 118.68 117.38 2cui s LEU 12 Ca 0.14 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.73 2cui s LEU 12 Cb -0.04 -3.26 0.07 0.00 0.03 0.00 0.00 46.19 42.99 2cui s LEU 12 CO 0.05 -1.00 0.56 -0.24 0.23 0.00 0.00 176.35 175.95 2cui n SER 13 N -2.40 2.10 -4.55 2.29 2.88 -0.62 -4.98 113.62 108.34 2cui n SER 13 Ca 0.04 -2.45 -0.46 0.00 -1.33 0.00 0.00 58.87 54.67 2cui n SER 13 Cb 0.58 -0.24 -0.04 0.00 -0.75 0.00 0.00 64.21 63.76 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 -1.91 1.69 -2.69 -1.46 10.64 -1.26 -4.65 117.38 117.74 2cui n GLN 14 Ca 0.08 0.47 -0.42 0.00 -1.83 0.00 0.00 57.00 55.29 2cui n GLN 14 Cb 0.53 -2.97 -0.03 0.00 -0.86 0.00 0.00 30.24 26.90 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 7.86 3.72 0.29 2.61 2.96 -1.26 -4.66 118.68 130.19 2cui s LEU 15 Ca 1.03 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 54.72 2cui s LEU 15 Cb -0.51 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2cui s LEU 15 CO 0.40 -1.47 0.15 -0.44 -1.32 0.00 0.00 176.35 173.67 2cui s SER 16 N 3.18 5.05 -0.12 3.68 0.01 -1.20 -4.63 113.70 119.66 2cui s SER 16 Ca 0.34 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 57.10 2cui s SER 16 Cb -0.10 -1.04 -0.02 0.00 0.21 0.00 0.00 66.02 65.07 2cui s SER 16 CO 0.19 -0.13 -0.11 -0.69 0.41 0.00 0.00 173.24 172.90 2cui s VAL 17 N -2.27 3.21 0.16 3.43 1.01 -1.26 -2.20 120.40 122.47 2cui s VAL 17 Ca 0.35 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.79 2cui s VAL 17 Cb -0.06 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2cui s VAL 17 CO 0.23 0.53 -0.17 0.42 0.00 0.00 0.00 175.10 176.11 2cui s THR 18 N 0.19 1.70 -1.24 3.92 -4.23 0.58 -4.76 115.64 111.80 2cui s THR 18 Ca -0.07 -1.88 -0.05 0.00 -1.18 0.00 0.00 61.69 58.51 2cui s THR 18 Cb -0.15 -1.78 0.01 0.00 1.34 0.00 0.00 72.50 71.92 2cui s THR 18 CO 0.05 -0.34 0.70 0.47 -0.54 0.00 0.00 174.62 174.95 2cui n ASP 19 N 0.34 -5.51 -4.50 3.99 9.92 -1.26 -1.41 116.55 118.11 2cui n ASP 19 Ca -0.14 -0.32 -0.42 0.00 -0.53 0.00 0.00 54.79 53.38 2cui n ASP 19 Cb 0.57 -4.26 -0.08 0.00 -0.64 0.00 0.00 41.12 36.71 2cui n ASP 19 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2cui n VAL 20 N -4.43 0.02 -2.88 2.53 0.31 -1.26 -4.40 118.33 108.22 2cui n VAL 20 Ca -0.05 -0.37 -0.28 0.00 -0.01 0.00 0.00 64.34 63.63 2cui n VAL 20 Cb 0.58 -1.67 -0.02 0.00 -0.91 0.00 0.00 33.84 31.83 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 9.61 4.91 0.21 2.52 2.01 0.56 -4.59 115.64 130.87 2cui s THR 21 Ca 1.14 0.23 -0.20 0.00 0.31 0.00 0.00 61.69 63.18 2cui s THR 21 Cb -0.75 -3.81 0.17 0.00 0.01 0.00 0.00 72.50 68.12 2cui s THR 21 CO 0.41 -0.64 1.56 0.71 -0.69 0.00 0.00 174.62 175.97 2cui h THR 22 N 0.71 0.05 0.00 -0.82 1.35 -1.91 -2.29 112.91 109.99 2cui h THR 22 Ca -0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 2cui h THR 22 Cb 1.20 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.65 2cui h THR 22 CO 0.63 0.00 -0.30 -1.20 -0.25 0.00 0.00 175.52 174.40 2cui n SER 23 N -5.44 1.85 -3.20 5.36 7.64 -1.26 -3.49 113.62 115.08 2cui n SER 23 Ca 0.07 -3.28 -0.11 0.00 1.01 0.00 0.00 58.87 56.56 2cui n SER 23 Cb 0.38 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 2cui n SER 23 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cui s SER 24 N -2.84 0.31 0.03 6.43 0.01 -0.86 -0.08 113.70 116.69 2cui s SER 24 Ca 0.32 -1.21 -0.25 0.00 1.31 0.00 0.00 55.95 56.12 2cui s SER 24 Cb 0.30 0.75 0.08 0.00 0.21 0.00 0.00 66.02 67.37 2cui s SER 24 CO -0.02 -1.48 1.14 0.00 0.41 0.00 0.00 173.24 173.28 2cui n LEU 25 N -0.53 0.00 -4.06 2.44 -0.00 -1.10 0.21 117.00 113.96 2cui n LEU 25 Ca -0.04 -0.61 -0.12 0.00 -0.00 0.00 0.00 56.01 55.23 2cui n LEU 25 Cb 0.61 1.94 -0.11 0.00 -0.00 0.00 0.00 43.42 45.86 2cui n LEU 25 CO 0.26 -0.20 -0.40 -0.60 -0.00 0.00 0.00 177.39 176.45 2cui s ARG 26 N -2.02 0.53 0.30 1.47 3.52 -0.50 -2.79 118.95 119.46 2cui s ARG 26 Ca 0.26 -0.80 0.11 0.00 -0.13 0.00 0.00 55.73 55.18 2cui s ARG 26 Cb -0.01 -0.23 -0.05 0.00 -1.56 0.00 0.00 34.95 33.09 2cui s ARG 26 CO 0.01 0.03 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.86 2cui s LEU 27 N -1.71 2.64 -0.25 -0.88 1.43 0.86 -0.31 118.68 120.47 2cui s LEU 27 Ca -0.09 -1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 51.87 2cui s LEU 27 Cb -0.08 -1.07 0.13 0.00 0.03 0.00 0.00 46.19 45.19 2cui s LEU 27 CO -0.00 -0.04 0.49 0.20 0.23 0.00 0.00 176.35 177.22 2cui s ASN 28 N -3.55 -0.53 0.02 2.29 0.01 -0.94 -3.60 114.94 108.65 2cui s ASN 28 Ca 0.31 0.93 0.05 0.00 -0.71 0.00 0.00 52.86 53.43 2cui s ASN 28 Cb -0.02 1.64 -0.02 0.00 0.41 0.00 0.00 41.25 43.26 2cui s ASN 28 CO 0.16 -0.25 -0.14 -1.66 -1.51 0.00 0.00 177.10 173.69 2cui s TRP 29 N 2.70 1.27 -0.20 2.20 -2.14 -1.22 -3.27 118.94 118.29 2cui s TRP 29 Ca 0.05 -0.31 -0.10 0.00 2.66 0.00 0.00 56.10 58.39 2cui s TRP 29 Cb -0.13 -0.78 -0.05 0.00 -3.10 0.00 0.00 33.47 29.41 2cui s TRP 29 CO -0.16 0.02 0.14 -2.00 -2.66 0.00 0.00 176.95 172.29 2cui s GLU 30 N -0.86 4.19 -0.06 3.25 2.12 -1.26 -4.68 118.70 121.39 2cui s GLU 30 Ca 0.03 -0.20 -0.09 0.00 0.36 0.00 0.00 54.97 55.07 2cui s GLU 30 Cb -0.07 -3.42 0.02 0.00 0.26 0.00 0.00 34.13 30.92 2cui s GLU 30 CO 0.01 0.30 0.23 0.00 -0.54 0.00 0.00 175.26 175.25 2cui s ALA 31 N 0.37 -0.56 0.95 6.30 0.00 -1.26 -1.59 121.76 125.97 2cui s ALA 31 Ca 0.09 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 2cui s ALA 31 Cb -0.11 -0.23 0.16 0.00 0.00 0.00 0.00 23.12 22.94 2cui s ALA 31 CO -0.02 -0.15 1.09 -1.25 0.00 0.00 0.00 175.76 175.44 2cui s PRO 32 N -0.34 0.80 0.69 0.00 0.04 -1.26 -5.00 135.00 129.93 2cui s PRO 32 Ca -0.05 0.66 -0.14 0.00 0.04 0.00 0.00 61.00 61.51 2cui s PRO 32 Cb -0.03 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.75 2cui s PRO 32 CO 0.01 -2.51 1.10 -1.25 0.04 0.00 0.00 177.00 174.40 2cui s PRO 33 N -4.95 2.65 -1.15 0.56 0.04 -1.26 -3.14 135.00 127.75 2cui s PRO 33 Ca 0.64 1.33 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2cui s PRO 33 Cb -0.18 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2cui s PRO 33 CO 0.57 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2cui n GLY 34 N -0.72 1.03 0.14 0.56 0.00 -1.26 -4.78 105.19 100.15 2cui n GLY 34 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 0.88 0.03 -2.60 4.61 0.00 -1.93 -3.47 119.26 116.77 2cui h ALA 35 Ca -0.22 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 53.96 2cui h ALA 35 Cb 0.73 0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.35 2cui h ALA 35 CO 0.32 0.37 -0.23 -0.06 0.00 0.00 0.00 179.25 179.66 2cui s PHE 36 N -3.01 -0.33 0.16 0.00 0.08 -1.26 -4.71 117.98 108.90 2cui s PHE 36 Ca -0.13 0.70 -0.10 0.00 0.12 0.00 0.00 56.93 57.52 2cui s PHE 36 Cb 0.03 0.14 0.00 0.00 -0.57 0.00 0.00 43.02 42.63 2cui s PHE 36 CO 0.83 -0.32 1.51 0.22 -0.10 0.00 0.00 175.22 177.36 2cui h ASP 37 N 4.57 0.98 -5.41 1.36 3.58 -0.84 -3.28 116.42 117.37 2cui h ASP 37 Ca -0.28 -0.42 -0.23 0.00 0.42 0.00 0.00 57.03 56.52 2cui h ASP 37 Cb 1.18 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.90 2cui h ASP 37 CO 0.33 1.21 -0.06 -0.94 -2.88 0.00 0.00 179.24 176.90 2cui s SER 38 N -6.80 0.80 -0.07 2.28 1.04 -1.15 -2.65 113.70 107.15 2cui s SER 38 Ca -0.11 -1.46 -0.00 0.00 0.48 0.00 0.00 55.95 54.86 2cui s SER 38 Cb 0.12 0.73 0.02 0.00 0.10 0.00 0.00 66.02 66.99 2cui s SER 38 CO 0.87 -1.43 -0.03 -0.36 0.98 0.00 0.00 173.24 173.27 2cui s PHE 39 N -2.71 0.81 -0.39 5.02 0.08 0.51 -2.20 117.98 119.09 2cui s PHE 39 Ca 0.27 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 56.97 2cui s PHE 39 Cb -0.02 -0.81 0.06 0.00 -0.57 0.00 0.00 43.02 41.68 2cui s PHE 39 CO 0.19 -0.30 0.22 -1.17 -0.10 0.00 0.00 175.22 174.07 2cui s LEU 40 N 1.52 4.91 -0.25 -0.37 2.96 -0.81 -2.44 118.68 124.19 2cui s LEU 40 Ca -0.01 -1.30 -0.18 0.00 -0.22 0.00 0.00 54.13 52.42 2cui s LEU 40 Cb -0.13 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2cui s LEU 40 CO -0.03 -0.46 0.52 -0.22 -1.32 0.00 0.00 176.35 174.83 2cui s LEU 41 N 1.46 4.06 -0.28 -0.68 2.96 -1.12 -1.28 118.68 123.81 2cui s LEU 41 Ca 0.02 0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 54.42 2cui s LEU 41 Cb -0.21 -2.67 0.02 0.00 0.50 0.00 0.00 46.19 43.83 2cui s LEU 41 CO 0.04 -0.28 0.02 -0.13 -1.32 0.00 0.00 176.35 174.68 2cui s ARG 42 N 2.24 2.94 -0.25 1.98 0.52 -0.08 -1.95 118.95 124.34 2cui s ARG 42 Ca 0.21 -0.94 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 2cui s ARG 42 Cb -0.16 -3.20 0.02 0.00 0.52 0.00 0.00 34.95 32.13 2cui s ARG 42 CO 0.09 -0.44 -0.03 -0.59 0.02 0.00 0.00 175.30 174.35 2cui s PHE 43 N 1.41 3.06 0.25 -0.53 -0.71 -1.25 -1.10 117.98 119.11 2cui s PHE 43 Ca 0.01 -1.35 0.07 0.00 -1.04 0.00 0.00 56.93 54.62 2cui s PHE 43 Cb -0.17 -2.10 -0.05 0.00 -1.21 0.00 0.00 43.02 39.48 2cui s PHE 43 CO -0.01 -0.67 -0.09 0.20 -1.34 0.00 0.00 175.22 173.31 2cui s GLY 44 N 1.38 1.67 -0.48 1.99 0.00 -0.72 -4.47 107.32 106.70 2cui s GLY 44 Ca 0.02 -1.81 -0.22 0.00 0.00 0.00 0.00 44.72 42.71 2cui s GLY 44 CO -0.03 -1.80 0.76 0.14 0.00 0.00 0.00 173.10 172.17 2cui s VAL 45 N -3.02 4.67 -0.41 1.40 1.01 -1.26 -2.26 120.40 120.53 2cui s VAL 45 Ca 0.27 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 2cui s VAL 45 Cb 0.02 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 2cui s VAL 45 CO 0.10 -0.80 1.74 -2.16 0.00 0.00 0.00 175.10 173.98 2cui s PRO 46 N 3.22 3.22 0.05 2.72 0.04 -1.26 -4.98 135.00 138.00 2cui s PRO 46 Ca 0.26 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 62.21 2cui s PRO 46 Cb -0.14 -4.21 -0.06 0.00 0.04 0.00 0.00 34.50 30.13 2cui s PRO 46 CO 0.19 -2.00 0.71 0.45 0.04 0.00 0.00 177.00 176.39 2cui s SER 47 N 6.13 7.16 0.18 6.66 0.15 -1.26 -5.03 113.70 127.69 2cui s SER 47 Ca 0.73 1.38 -0.30 0.00 0.70 0.00 0.00 55.95 58.46 2cui s SER 47 Cb -0.19 -2.44 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 2cui s SER 47 CO 0.31 0.08 1.32 -2.16 1.20 0.00 0.00 173.24 173.98 2cui s PRO 48 N -0.31 4.38 0.48 5.44 0.04 -1.26 -4.92 135.00 138.85 2cui s PRO 48 Ca 0.35 2.05 0.25 0.00 0.04 0.00 0.00 61.00 63.69 2cui s PRO 48 Cb -0.20 -3.21 1.21 0.00 0.04 0.00 0.00 34.50 32.34 2cui s PRO 48 CO 0.22 -0.28 1.96 0.66 0.04 0.00 0.00 177.00 179.60 2cui h SER 49 N 5.64 0.00 0.46 6.66 4.64 -2.01 -2.52 113.55 126.43 2cui h SER 49 Ca -0.44 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.76 2cui h SER 49 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2cui h SER 49 CO 0.79 0.18 -0.54 0.71 -0.87 0.00 0.00 176.83 177.10 2cui h THR 50 N 0.00 1.38 -2.41 2.95 1.35 -2.05 -3.44 112.91 110.69 2cui h THR 50 Ca -0.00 -1.83 -0.50 0.00 -0.55 0.00 0.00 66.41 63.52 2cui h THR 50 Cb 0.51 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.87 2cui h THR 50 CO 0.02 0.53 -0.44 -0.22 -0.25 0.00 0.00 175.52 175.17 2cui s LEU 51 N -7.88 4.32 0.20 3.87 2.96 -0.95 -5.10 118.68 116.10 2cui s LEU 51 Ca -0.03 0.14 -0.19 0.00 -0.22 0.00 0.00 54.13 53.83 2cui s LEU 51 Cb 0.13 -2.91 -0.08 0.00 0.50 0.00 0.00 46.19 43.83 2cui s LEU 51 CO 0.76 -0.02 0.70 -1.61 -1.32 0.00 0.00 176.35 174.86 2cui s GLU 52 N -3.60 4.24 0.80 1.98 0.41 -1.26 -4.76 118.70 116.50 2cui s GLU 52 Ca 0.35 0.83 -0.11 0.00 -0.41 0.00 0.00 54.97 55.63 2cui s GLU 52 Cb -0.10 -2.94 0.07 0.00 -1.78 0.00 0.00 34.13 29.39 2cui s GLU 52 CO 0.29 0.43 1.09 -1.25 -0.49 0.00 0.00 175.26 175.33 2cui s PRO 53 N -1.86 2.04 0.13 0.39 0.04 -1.26 -5.04 135.00 129.45 2cui s PRO 53 Ca 0.41 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.43 2cui s PRO 53 Cb -0.17 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 2cui s PRO 53 CO 0.21 -1.77 0.48 -1.01 0.04 0.00 0.00 177.00 174.95 2cui s HIS 54 N -2.91 3.56 -1.76 0.56 3.76 -1.26 -4.96 115.29 112.27 2cui s HIS 54 Ca 0.62 0.90 0.15 0.00 -0.15 0.00 0.00 55.06 56.58 2cui s HIS 54 Cb -0.17 -2.25 0.85 0.00 1.11 0.00 0.00 32.58 32.12 2cui s HIS 54 CO 0.56 0.44 1.37 -0.35 -0.85 0.00 0.00 174.74 175.91 2cui n PRO 55 N 0.64 0.37 -4.04 8.40 -0.04 -1.26 -4.70 135.00 134.38 2cui n PRO 55 Ca -0.05 0.06 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 2cui n PRO 55 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.24 3.27 0.84 0.54 1.70 -1.26 -5.10 118.95 116.69 2cui s ARG 56 Ca 0.19 -0.28 -0.11 0.00 -0.47 0.00 0.00 55.73 55.07 2cui s ARG 56 Cb 0.10 -3.03 0.09 0.00 -0.57 0.00 0.00 34.95 31.55 2cui s ARG 56 CO 0.20 0.73 1.09 -1.25 -1.08 0.00 0.00 175.30 174.99 2cui s PRO 57 N -1.22 1.73 -0.20 3.89 0.04 -1.26 -5.05 135.00 132.93 2cui s PRO 57 Ca 0.17 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.20 2cui s PRO 57 Cb -0.12 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2cui s PRO 57 CO 0.07 -1.96 -0.15 -0.51 0.04 0.00 0.00 177.00 174.48 2cui s LEU 58 N -6.08 2.40 -0.26 -3.56 1.43 -1.26 -5.08 118.68 106.27 2cui s LEU 58 Ca 0.62 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 2cui s LEU 58 Cb -0.18 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 2cui s LEU 58 CO 0.56 -0.02 1.84 -0.22 0.23 0.00 0.00 176.35 178.75 2cui s LEU 59 N 1.33 3.63 0.15 1.79 2.96 -1.26 -4.98 118.68 122.30 2cui s LEU 59 Ca 0.04 1.56 0.04 0.00 -0.22 0.00 0.00 54.13 55.56 2cui s LEU 59 Cb -0.14 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2cui s LEU 59 CO -0.10 -1.61 0.19 0.00 -1.32 0.00 0.00 176.35 173.51 2cui s GLN 60 N 5.48 3.10 0.33 1.98 0.00 -1.26 -5.05 119.66 124.23 2cui s GLN 60 Ca 0.82 -0.76 -0.03 0.00 -0.00 0.00 0.00 55.36 55.39 2cui s GLN 60 Cb -0.26 -2.77 -0.00 0.00 0.00 0.00 0.00 33.01 29.98 2cui s GLN 60 CO 0.33 0.50 0.46 1.03 0.00 0.00 0.00 175.29 177.61 2cui s ARG 61 N -3.11 1.83 0.05 9.60 0.52 -1.26 -5.14 118.95 121.45 2cui s ARG 61 Ca 0.32 -1.70 -0.20 0.00 -0.52 0.00 0.00 55.73 53.64 2cui s ARG 61 Cb -0.11 0.44 0.04 0.00 0.52 0.00 0.00 34.95 35.84 2cui s ARG 61 CO 0.25 -0.75 0.45 -1.83 0.02 0.00 0.00 175.30 173.44 2cui s GLU 62 N -3.22 0.96 0.17 3.54 4.04 -1.26 -3.85 118.70 119.09 2cui s GLU 62 Ca 0.30 -0.32 0.05 0.00 0.04 0.00 0.00 54.97 55.04 2cui s GLU 62 Cb -0.00 0.43 -0.04 0.00 0.02 0.00 0.00 34.13 34.55 2cui s GLU 62 CO 0.19 -0.34 0.20 -1.17 -1.84 0.00 0.00 175.26 172.30 2cui s LEU 63 N -1.99 3.98 -0.19 1.83 2.96 -0.82 -4.92 118.68 119.53 2cui s LEU 63 Ca -0.05 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 2cui s LEU 63 Cb -0.01 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 44.16 2cui s LEU 63 CO -0.02 0.04 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.65 2cui s MET 64 N -3.27 1.75 -0.01 1.98 1.75 -1.26 -2.80 119.30 117.43 2cui s MET 64 Ca 0.32 -0.71 -0.01 0.00 -1.25 0.00 0.00 55.69 54.04 2cui s MET 64 Cb -0.10 -2.26 0.01 0.00 2.84 0.00 0.00 34.83 35.32 2cui s MET 64 CO 0.25 -0.44 0.03 0.08 -0.65 0.00 0.00 175.02 174.29 2cui s VAL 65 N 1.50 -0.02 0.55 10.11 1.01 -1.02 -4.97 120.40 127.56 2cui s VAL 65 Ca -0.01 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 2cui s VAL 65 Cb -0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 36.38 36.10 2cui s VAL 65 CO -0.08 0.03 1.13 -2.16 0.00 0.00 0.00 175.10 174.01 2cui s PRO 66 N 0.33 3.33 0.29 2.72 0.04 -1.26 0.19 135.00 140.64 2cui s PRO 66 Ca -0.03 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.62 2cui s PRO 66 Cb -0.04 -2.00 0.70 0.00 0.04 0.00 0.00 34.50 33.20 2cui s PRO 66 CO -0.01 -0.86 1.64 0.78 0.04 0.00 0.00 177.00 178.59 2cui h GLY 67 N 1.14 1.32 0.77 0.56 0.00 -1.56 0.71 103.07 106.00 2cui h GLY 67 Ca -0.50 -0.01 0.17 0.00 0.00 0.00 0.00 47.33 47.00 2cui h GLY 67 CO 0.57 -0.38 0.45 0.00 0.00 0.00 0.00 176.54 177.18 2cui h THR 68 N 0.18 0.70 -3.50 4.70 1.03 -1.87 -3.37 112.91 110.77 2cui h THR 68 Ca 0.55 -0.01 -0.65 0.00 -0.01 0.00 0.00 66.41 66.28 2cui h THR 68 Cb 1.10 0.66 -0.23 0.00 -1.07 0.00 0.00 68.15 68.60 2cui h THR 68 CO -0.67 0.01 -0.66 -0.13 -0.01 0.00 0.00 175.52 174.06 2cui s ARG 69 N -5.05 3.60 -0.71 0.00 0.52 0.25 -5.03 118.95 112.53 2cui s ARG 69 Ca -0.05 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 54.68 2cui s ARG 69 Cb 0.20 -3.17 0.28 0.00 0.52 0.00 0.00 34.95 32.79 2cui s ARG 69 CO 0.74 -0.10 0.95 0.72 0.02 0.00 0.00 175.30 177.64 2cui n HIS 70 N 4.59 3.50 -3.92 -0.53 8.25 -1.26 -4.27 115.22 121.57 2cui n HIS 70 Ca -0.17 -3.82 -0.10 0.00 -0.26 0.00 0.00 57.72 53.37 2cui n HIS 70 Cb 0.51 -0.68 -0.11 0.00 1.12 0.00 0.00 29.99 30.84 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 -2.54 0.12 -0.21 0.41 1.04 -1.26 -3.38 113.70 107.88 2cui s SER 71 Ca 0.41 -0.29 -0.08 0.00 0.48 0.00 0.00 55.95 56.47 2cui s SER 71 Cb 0.16 0.14 0.09 0.00 0.10 0.00 0.00 66.02 66.51 2cui s SER 71 CO -0.03 -0.26 0.45 0.00 0.98 0.00 0.00 173.24 174.38 2cui s ALA 72 N -1.13 -1.24 -0.17 5.32 0.00 -1.24 -4.88 121.76 118.42 2cui s ALA 72 Ca -0.12 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.47 2cui s ALA 72 Cb -0.07 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.77 2cui s ALA 72 CO -0.00 -0.66 -0.17 0.08 0.00 0.00 0.00 175.76 175.00 2cui s VAL 73 N 2.37 1.84 0.01 0.00 1.01 -1.26 -0.10 120.40 124.27 2cui s VAL 73 Ca -0.04 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 2cui s VAL 73 Cb -0.11 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2cui s VAL 73 CO -0.14 0.50 0.33 -0.76 0.00 0.00 0.00 175.10 175.03 2cui s LEU 74 N 1.38 4.40 0.45 3.92 2.01 -1.12 -4.95 118.68 124.77 2cui s LEU 74 Ca 0.05 0.72 0.03 0.00 0.01 0.00 0.00 54.13 54.94 2cui s LEU 74 Cb -0.13 -2.65 -0.02 0.00 0.01 0.00 0.00 46.19 43.40 2cui s LEU 74 CO -0.12 0.27 0.08 -0.13 1.01 0.00 0.00 176.35 177.46 2cui s ARG 75 N -1.52 2.04 -1.26 1.70 0.52 -1.26 -2.71 118.95 116.46 2cui s ARG 75 Ca 0.26 -2.27 -0.09 0.00 -0.52 0.00 0.00 55.73 53.11 2cui s ARG 75 Cb -0.14 -0.96 0.07 0.00 0.52 0.00 0.00 34.95 34.43 2cui s ARG 75 CO 0.14 -0.44 0.45 -0.40 0.02 0.00 0.00 175.30 175.07 2cui n ASP 76 N -1.31 -3.71 -4.06 0.23 5.68 -1.18 -4.92 116.55 107.28 2cui n ASP 76 Ca -0.11 -0.34 -0.27 0.00 -0.50 0.00 0.00 54.79 53.57 2cui n ASP 76 Cb 0.66 -3.08 0.18 0.00 -1.14 0.00 0.00 41.12 37.73 2cui n ASP 76 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2cui n LEU 77 N -3.66 0.00 0.00 -2.12 4.77 0.89 -5.06 117.00 111.83 2cui n LEU 77 Ca -0.02 -1.63 -0.11 0.00 -0.03 0.00 0.00 56.01 54.22 2cui n LEU 77 Cb 0.55 -0.89 0.06 0.00 -2.33 0.00 0.00 43.42 40.81 2cui n LEU 77 CO 0.49 -1.29 0.26 0.54 -1.33 0.00 0.00 177.39 176.06 2cui n ARG 78 N -3.47 0.21 -4.43 3.23 5.12 -1.26 -4.66 116.66 111.40 2cui n ARG 78 Ca 0.16 -1.19 -0.33 0.00 -1.93 0.00 0.00 57.85 54.56 2cui n ARG 78 Cb 0.57 -0.33 -0.10 0.00 -1.16 0.00 0.00 32.46 31.44 2cui n ARG 78 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2cui s SER 79 N -2.86 4.93 -1.17 0.55 1.04 -1.26 -4.16 113.70 110.77 2cui s SER 79 Ca 0.30 -0.00 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 2cui s SER 79 Cb -0.02 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.83 2cui s SER 79 CO 0.20 0.33 0.01 0.61 0.98 0.00 0.00 173.24 175.36 2cui n GLY 80 N 1.82 -0.10 3.07 7.32 0.00 -0.96 -4.89 105.19 111.46 2cui n GLY 80 Ca -0.17 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.05 1.02 -0.27 2.61 2.01 -1.26 -4.90 115.64 110.80 2cui s THR 81 Ca 0.00 -0.52 -0.26 0.00 0.31 0.00 0.00 61.69 61.23 2cui s THR 81 Cb -0.00 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2cui s THR 81 CO 0.76 0.30 0.92 -0.22 -0.69 0.00 0.00 174.62 175.69 2cui s LEU 82 N -0.05 4.06 0.03 4.42 1.98 -1.26 -2.56 118.68 125.29 2cui s LEU 82 Ca 0.00 1.05 -0.00 0.00 -2.89 0.00 0.00 54.13 52.29 2cui s LEU 82 Cb -0.08 -3.32 -0.04 0.00 0.66 0.00 0.00 46.19 43.41 2cui s LEU 82 CO 0.00 -0.64 0.13 -0.31 -1.89 0.00 0.00 176.35 173.64 2cui s TYR 83 N 3.11 3.37 -0.44 5.38 1.51 -0.65 -4.63 117.35 125.00 2cui s TYR 83 Ca 0.39 0.22 -0.14 0.00 -1.01 0.00 0.00 57.07 56.52 2cui s TYR 83 Cb -0.14 -1.74 0.06 0.00 -0.11 0.00 0.00 41.96 40.03 2cui s TYR 83 CO 0.10 0.57 0.34 0.45 -1.11 0.00 0.00 175.55 175.90 2cui s SER 84 N -2.08 6.06 0.02 2.29 0.15 -0.96 -3.34 113.70 115.85 2cui s SER 84 Ca 0.28 -1.20 -0.01 0.00 0.70 0.00 0.00 55.95 55.71 2cui s SER 84 Cb -0.12 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 2cui s SER 84 CO 0.19 -0.56 0.18 -0.76 1.20 0.00 0.00 173.24 173.49 2cui s LEU 85 N 1.63 4.32 -0.23 3.45 1.43 -1.04 -1.75 118.68 126.49 2cui s LEU 85 Ca 0.04 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2cui s LEU 85 Cb -0.22 -2.71 0.12 0.00 0.03 0.00 0.00 46.19 43.41 2cui s LEU 85 CO 0.07 0.23 0.34 -0.89 0.23 0.00 0.00 176.35 176.33 2cui s THR 86 N -1.38 -0.54 0.32 5.49 2.01 -0.26 -1.84 115.64 119.44 2cui s THR 86 Ca 0.30 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 2cui s THR 86 Cb -0.13 -0.78 -0.08 0.00 0.01 0.00 0.00 72.50 71.53 2cui s THR 86 CO 0.22 -0.13 0.70 -0.22 -0.69 0.00 0.00 174.62 174.50 2cui s LEU 87 N 2.50 4.04 -0.12 4.42 2.96 -0.62 -0.91 118.68 130.95 2cui s LEU 87 Ca 0.11 1.18 -0.01 0.00 -0.22 0.00 0.00 54.13 55.19 2cui s LEU 87 Cb -0.15 -3.99 0.03 0.00 0.50 0.00 0.00 46.19 42.58 2cui s LEU 87 CO -0.15 -0.22 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.30 2cui s TYR 88 N -2.03 1.38 -1.22 5.38 2.02 -0.40 -1.83 117.35 120.65 2cui s TYR 88 Ca 0.52 -0.71 -0.19 0.00 -0.37 0.00 0.00 57.07 56.32 2cui s TYR 88 Cb -0.10 -1.17 0.07 0.00 -0.40 0.00 0.00 41.96 40.35 2cui s TYR 88 CO 0.21 -0.51 1.64 0.20 -1.57 0.00 0.00 175.55 175.53 2cui s GLY 89 N 1.74 1.59 -0.29 0.71 0.00 0.11 -1.93 107.32 109.25 2cui s GLY 89 Ca 0.04 -2.78 -0.28 0.00 0.00 0.00 0.00 44.72 41.70 2cui s GLY 89 CO -0.08 2.67 2.16 1.08 0.00 0.00 0.00 173.10 178.94 2cui s LEU 90 N 4.25 3.44 -0.32 0.66 2.01 -0.93 -1.66 118.68 126.12 2cui s LEU 90 Ca 0.51 1.61 0.07 0.00 0.01 0.00 0.00 54.13 56.34 2cui s LEU 90 Cb 0.03 -3.34 0.65 0.00 0.01 0.00 0.00 46.19 43.54 2cui s LEU 90 CO 0.03 -2.07 1.73 -1.14 1.01 0.00 0.00 176.35 175.91 2cui n ARG 91 N 8.75 3.15 0.00 1.70 0.00 -1.21 -0.13 116.66 128.92 2cui n ARG 91 Ca 0.29 -2.73 0.00 0.00 -0.00 0.00 0.00 57.85 55.42 2cui n ARG 91 Cb 0.47 -2.11 0.00 0.00 0.00 0.00 0.00 32.46 30.82 2cui n ARG 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2cui n GLY 92 N -0.30 0.70 0.17 5.14 0.00 -1.26 -4.81 105.19 104.84 2cui n GLY 92 Ca 0.41 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 0.53 -5.72 1.61 0.13 -2.01 -3.46 132.00 123.07 2cui h PRO 93 Ca 0.00 -0.28 -0.48 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 -4.35 1.78 0.51 1.56 -3.43 -1.26 -5.13 115.29 104.98 2cui s HIS 94 Ca -0.13 -0.52 -0.22 0.00 -0.80 0.00 0.00 55.06 53.39 2cui s HIS 94 Cb 0.07 -0.84 -0.06 0.00 -1.43 0.00 0.00 32.58 30.32 2cui s HIS 94 CO 0.79 0.38 1.24 -1.59 -2.00 0.00 0.00 174.74 173.55 2cui s LYS 95 N -3.36 3.43 -0.17 -0.38 -2.85 -1.26 -3.30 119.74 111.86 2cui s LYS 95 Ca 0.21 1.94 -0.05 0.00 -1.00 0.00 0.00 55.97 57.07 2cui s LYS 95 Cb -0.03 -2.28 -0.08 0.00 -2.06 0.00 0.00 37.83 33.37 2cui s LYS 95 CO 0.07 -0.86 -0.19 0.00 0.10 0.00 0.00 175.35 174.47 2cui n ALA 96 N -0.83 1.81 -2.44 0.59 0.00 -0.67 -4.84 120.51 114.14 2cui n ALA 96 Ca 0.09 -0.67 -0.21 0.00 0.00 0.00 0.00 53.44 52.64 2cui n ALA 96 Cb 0.47 0.23 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 2cui n ALA 96 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2cui s ASP 97 N -6.15 2.71 -0.28 0.00 2.15 -1.23 -4.97 116.67 108.91 2cui s ASP 97 Ca -0.23 -1.23 -0.19 0.00 0.43 0.00 0.00 52.55 51.33 2cui s ASP 97 Cb 0.08 -0.16 0.08 0.00 -0.30 0.00 0.00 42.92 42.62 2cui s ASP 97 CO 0.32 -0.40 0.70 -0.94 -0.17 0.00 0.00 175.17 174.68 2cui s SER 98 N -3.46 -0.88 0.22 -0.34 1.04 -1.26 0.04 113.70 109.07 2cui s SER 98 Ca 0.31 1.49 0.11 0.00 0.48 0.00 0.00 55.95 58.34 2cui s SER 98 Cb 0.05 1.42 -0.05 0.00 0.10 0.00 0.00 66.02 67.54 2cui s SER 98 CO 0.13 -0.24 -0.20 -0.51 0.98 0.00 0.00 173.24 173.39 2cui s ILE 99 N 1.19 2.52 -0.25 -1.02 2.07 -0.76 -4.96 121.20 119.98 2cui s ILE 99 Ca -0.06 -2.10 -0.01 0.00 -1.41 0.00 0.00 60.65 57.07 2cui s ILE 99 Cb -0.05 -2.25 0.03 0.00 0.13 0.00 0.00 42.46 40.32 2cui s ILE 99 CO -0.12 -0.21 -0.07 -1.10 -1.91 0.00 0.00 174.94 171.53 2cui s GLN 100 N -2.97 2.74 -0.23 3.50 -0.21 -1.26 -1.59 119.66 119.64 2cui s GLN 100 Ca 0.24 -1.04 0.02 0.00 0.02 0.00 0.00 55.36 54.60 2cui s GLN 100 Cb -0.07 -2.97 0.04 0.00 1.00 0.00 0.00 33.01 31.00 2cui s GLN 100 CO 0.12 -0.43 -0.14 0.20 -2.12 0.00 0.00 175.29 172.92 2cui s GLY 101 N 1.29 1.55 -0.04 3.09 0.00 -0.77 -4.87 107.32 107.58 2cui s GLY 101 Ca -0.01 -1.51 -0.09 0.00 0.00 0.00 0.00 44.72 43.10 2cui s GLY 101 CO -0.05 0.47 0.27 -0.51 0.00 0.00 0.00 173.10 173.28 2cui s THR 102 N 1.21 5.28 -0.09 0.90 -4.23 -1.26 -2.50 115.64 114.94 2cui s THR 102 Ca -0.02 0.41 -0.20 0.00 -1.18 0.00 0.00 61.69 60.70 2cui s THR 102 Cb -0.17 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 70.16 2cui s THR 102 CO -0.08 0.52 0.48 0.00 -0.54 0.00 0.00 174.62 175.00 2cui s ALA 103 N -1.14 -1.21 -0.18 3.99 0.00 -1.21 -4.84 121.76 117.17 2cui s ALA 103 Ca 0.22 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 53.18 2cui s ALA 103 Cb -0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 2cui s ALA 103 CO 0.11 -0.28 -0.11 0.50 0.00 0.00 0.00 175.76 175.98 2cui s ARG 104 N -0.65 3.27 1.25 0.00 3.52 -1.26 -1.63 118.95 123.45 2cui s ARG 104 Ca -0.07 -0.70 -0.18 0.00 -0.13 0.00 0.00 55.73 54.64 2cui s ARG 104 Cb -0.03 -2.78 0.30 0.00 -1.56 0.00 0.00 34.95 30.88 2cui s ARG 104 CO 0.04 -0.09 1.03 0.95 -0.81 0.00 0.00 175.30 176.42 2cui s THR 105 N 1.12 1.60 0.18 4.11 -4.23 -1.06 -4.90 115.64 112.47 2cui s THR 105 Ca 0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.48 2cui s THR 105 Cb -0.14 -2.26 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 2cui s THR 105 CO -0.03 0.00 0.41 -0.76 -0.54 0.00 0.00 174.62 173.70 2cui s LEU 106 N -7.26 4.22 0.07 4.79 1.43 -1.22 -3.77 118.68 116.94 2cui s LEU 106 Ca 0.69 0.57 0.05 0.00 -1.03 0.00 0.00 54.13 54.41 2cui s LEU 106 Cb -0.15 -3.32 -0.23 0.00 0.03 0.00 0.00 46.19 42.51 2cui s LEU 106 CO 0.59 -0.02 1.11 -1.28 0.23 0.00 0.00 176.35 176.98 2cui h SER 107 N 2.41 0.12 -3.56 2.29 0.87 -1.90 -2.54 113.55 111.24 2cui h SER 107 Ca -0.47 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 2cui h SER 107 Cb 1.18 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2cui h SER 107 CO 0.70 1.11 0.00 0.61 -0.53 0.00 0.00 176.83 178.73 2cui n GLY 108 N 1.45 1.72 0.00 5.77 0.00 -1.26 -4.78 105.19 108.09 2cui n GLY 108 Ca -0.06 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.89 0.38 -1.92 1.61 -0.04 -1.26 -4.17 135.00 127.72 2cui n PRO 109 Ca 0.00 0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 2cui n PRO 109 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 2cui n PRO 109 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cui n SER 110 N -1.11 6.29 -4.56 3.54 3.41 -1.26 -4.93 113.62 114.99 2cui n SER 110 Ca 0.10 -2.96 -0.42 0.00 -0.26 0.00 0.00 58.87 55.33 2cui n SER 110 Cb 0.08 -1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 62.50 2cui n SER 110 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cui s SER 111 N 1.49 6.38 0.00 4.04 0.15 -1.26 -5.10 113.70 119.40 2cui s SER 111 Ca 0.51 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2cui s SER 111 Cb 0.14 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2cui s SER 111 CO -0.05 -1.47 0.35 0.61 1.20 0.00 0.00 173.24 173.88