#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 6.52 0.08 1.61 0.15 -1.26 -5.00 113.70 115.80 2cui s SER 2 Ca 0.00 2.70 -0.00 0.00 0.70 0.00 0.00 55.95 59.35 2cui s SER 2 Cb 0.00 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 2cui s SER 2 CO 0.00 -0.86 -0.03 -0.94 1.20 0.00 0.00 173.24 172.61 2cui s SER 3 N 1.09 0.67 0.00 5.45 1.04 -1.26 -5.14 113.70 115.55 2cui s SER 3 Ca 0.71 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2cui s SER 3 Cb -0.45 0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.85 2cui s SER 3 CO 0.33 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2cui n GLY 4 N 0.03 -0.77 3.24 7.32 0.00 -1.26 -5.04 105.19 108.71 2cui n GLY 4 Ca -0.12 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 2cui n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cui n SER 5 N 0.00 -4.66 -4.35 1.61 7.64 -1.26 -4.97 113.62 107.62 2cui n SER 5 Ca 0.00 -0.48 -0.45 0.00 1.01 0.00 0.00 58.87 58.95 2cui n SER 5 Cb 0.00 -4.42 -0.07 0.00 -1.01 0.00 0.00 64.21 58.71 2cui n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cui s SER 6 N -3.54 6.12 0.00 6.43 1.04 -1.26 -4.94 113.70 117.55 2cui s SER 6 Ca 0.35 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2cui s SER 6 Cb -0.16 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2cui s SER 6 CO 0.63 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2cui n GLY 7 N 5.19 3.30 2.26 7.32 0.00 -1.26 -5.05 105.19 116.95 2cui n GLY 7 Ca -0.13 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 2cui n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cui n SER 8 N 0.00 2.94 -4.22 1.61 7.64 -1.26 -4.99 113.62 115.34 2cui n SER 8 Ca 0.00 -2.86 -0.36 0.00 1.01 0.00 0.00 58.87 56.65 2cui n SER 8 Cb 0.00 -0.41 -0.06 0.00 -1.01 0.00 0.00 64.21 62.73 2cui n SER 8 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2cui n ARG 9 N -0.60 -0.68 -2.09 1.43 3.00 -1.26 -4.79 116.66 111.67 2cui n ARG 9 Ca 0.23 0.07 -0.43 0.00 -0.01 0.00 0.00 57.85 57.71 2cui n ARG 9 Cb 0.89 -3.12 -0.03 0.00 0.00 0.00 0.00 32.46 30.20 2cui n ARG 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2cui s PRO 10 N -7.39 3.44 0.24 5.56 0.04 -1.26 -4.99 135.00 130.64 2cui s PRO 10 Ca 0.17 1.34 0.05 0.00 0.04 0.00 0.00 61.00 62.60 2cui s PRO 10 Cb -0.10 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 2cui s PRO 10 CO 0.98 -1.73 -0.05 1.03 0.04 0.00 0.00 177.00 177.27 2cui s ARG 11 N 5.39 1.38 0.30 4.56 1.81 -1.26 -4.79 118.95 126.34 2cui s ARG 11 Ca 0.75 -1.68 0.01 0.00 -1.72 0.00 0.00 55.73 53.08 2cui s ARG 11 Cb -0.21 -0.88 -0.03 0.00 -0.45 0.00 0.00 34.95 33.38 2cui s ARG 11 CO 0.33 0.01 0.49 -0.51 -0.68 0.00 0.00 175.30 174.94 2cui s LEU 12 N -3.34 4.11 0.00 2.53 1.43 -1.26 -4.50 118.68 117.64 2cui s LEU 12 Ca 0.27 0.39 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 2cui s LEU 12 Cb 0.04 -3.22 0.08 0.00 0.03 0.00 0.00 46.19 43.12 2cui s LEU 12 CO 0.09 -0.21 0.65 -0.24 0.23 0.00 0.00 176.35 176.87 2cui n SER 13 N -1.48 1.59 -4.60 2.29 2.88 -0.70 -4.99 113.62 108.60 2cui n SER 13 Ca -0.05 -2.17 -0.43 0.00 -1.33 0.00 0.00 58.87 54.88 2cui n SER 13 Cb 0.56 -0.36 -0.03 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 -2.06 1.98 -2.78 -1.46 10.64 -1.26 -4.68 117.38 117.76 2cui n GLN 14 Ca 0.13 0.54 -0.43 0.00 -1.83 0.00 0.00 57.00 55.42 2cui n GLN 14 Cb 0.47 -3.23 -0.04 0.00 -0.86 0.00 0.00 30.24 26.58 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 8.27 3.98 0.32 2.61 2.96 -1.26 -4.65 118.68 130.91 2cui s LEU 15 Ca 1.01 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 54.56 2cui s LEU 15 Cb -0.34 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 2cui s LEU 15 CO 0.35 -1.37 0.25 -0.44 -1.32 0.00 0.00 176.35 173.82 2cui s SER 16 N 3.13 5.24 -0.18 3.68 0.01 -1.17 -4.58 113.70 119.82 2cui s SER 16 Ca 0.31 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 57.06 2cui s SER 16 Cb -0.12 -1.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.07 2cui s SER 16 CO 0.18 -0.27 -0.08 -0.69 0.41 0.00 0.00 173.24 172.78 2cui s VAL 17 N -2.29 3.26 0.25 3.43 1.01 -1.26 -2.30 120.40 122.50 2cui s VAL 17 Ca 0.39 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.92 2cui s VAL 17 Cb -0.06 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 2cui s VAL 17 CO 0.26 0.47 -0.19 0.42 0.00 0.00 0.00 175.10 176.06 2cui s THR 18 N 0.93 2.31 -1.48 3.92 -4.23 0.16 -4.70 115.64 112.55 2cui s THR 18 Ca -0.01 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.18 2cui s THR 18 Cb -0.15 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.47 2cui s THR 18 CO 0.00 -0.40 0.00 -0.67 -0.54 0.00 0.00 174.62 173.01 2cui n ASP 19 N -0.45 -5.07 -4.46 3.99 2.03 -1.26 -0.29 116.55 111.04 2cui n ASP 19 Ca -0.07 -0.02 -0.45 0.00 0.52 0.00 0.00 54.79 54.78 2cui n ASP 19 Cb 0.60 -4.16 -0.11 0.00 -0.72 0.00 0.00 41.12 36.73 2cui n ASP 19 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2cui n VAL 20 N -4.01 0.01 -2.72 5.18 0.31 -1.26 -4.38 118.33 111.46 2cui n VAL 20 Ca -0.20 -0.20 -0.26 0.00 -0.01 0.00 0.00 64.34 63.67 2cui n VAL 20 Cb 0.66 -1.14 0.01 0.00 -0.91 0.00 0.00 33.84 32.45 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 8.87 4.42 0.20 2.52 2.01 0.52 -4.64 115.64 129.53 2cui s THR 21 Ca 1.22 -0.07 -0.18 0.00 0.31 0.00 0.00 61.69 62.97 2cui s THR 21 Cb -1.02 -3.68 0.18 0.00 0.01 0.00 0.00 72.50 67.99 2cui s THR 21 CO 0.47 -0.61 1.59 0.71 -0.69 0.00 0.00 174.62 176.09 2cui h THR 22 N 0.21 0.17 0.00 -0.82 1.35 -1.91 -2.64 112.91 109.27 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 1.23 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 2cui h THR 22 CO 0.60 0.00 -0.30 -1.54 -0.25 0.00 0.00 175.52 174.04 2cui n SER 23 N -5.45 1.79 -2.77 5.36 3.41 -1.26 -3.38 113.62 111.32 2cui n SER 23 Ca 0.06 -3.16 -0.11 0.00 -0.26 0.00 0.00 58.87 55.40 2cui n SER 23 Cb 0.37 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2cui n SER 23 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cui n SER 24 N -1.04 -1.77 -3.70 4.04 7.64 -1.00 -0.44 113.62 117.35 2cui n SER 24 Ca 0.15 -2.63 0.01 0.00 1.01 0.00 0.00 58.87 57.41 2cui n SER 24 Cb 0.70 3.07 0.01 0.00 -1.01 0.00 0.00 64.21 66.98 2cui n SER 24 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2cui s LEU 25 N 0.00 0.00 0.06 -3.43 0.05 -1.21 0.19 118.68 114.35 2cui s LEU 25 Ca 0.20 -0.32 0.04 0.00 0.05 0.00 0.00 54.13 54.11 2cui s LEU 25 Cb -0.03 1.50 -0.03 0.00 -2.05 0.00 0.00 46.19 45.59 2cui s LEU 25 CO 0.15 -0.46 -0.12 -0.60 -0.55 0.00 0.00 176.35 174.76 2cui s ARG 26 N -2.06 0.76 0.26 1.48 3.52 0.60 -3.43 118.95 120.08 2cui s ARG 26 Ca 0.27 -0.84 0.11 0.00 -0.13 0.00 0.00 55.73 55.14 2cui s ARG 26 Cb -0.01 -0.71 -0.05 0.00 -1.56 0.00 0.00 34.95 32.62 2cui s ARG 26 CO 0.01 0.16 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.03 2cui s LEU 27 N -1.52 2.86 -0.24 -0.88 1.43 0.19 0.37 118.68 120.89 2cui s LEU 27 Ca -0.03 -0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 2cui s LEU 27 Cb -0.09 -1.41 0.10 0.00 0.03 0.00 0.00 46.19 44.82 2cui s LEU 27 CO 0.02 0.04 0.51 0.20 0.23 0.00 0.00 176.35 177.34 2cui s ASN 28 N -3.44 -0.59 0.03 2.29 0.01 -0.98 -3.74 114.94 108.53 2cui s ASN 28 Ca 0.29 1.21 0.02 0.00 -0.71 0.00 0.00 52.86 53.67 2cui s ASN 28 Cb -0.06 1.68 -0.02 0.00 0.41 0.00 0.00 41.25 43.26 2cui s ASN 28 CO 0.17 -0.23 -0.07 -1.66 -1.51 0.00 0.00 177.10 173.80 2cui s TRP 29 N 2.67 0.56 -0.14 2.20 -2.14 -1.22 -3.04 118.94 117.84 2cui s TRP 29 Ca -0.04 -0.46 -0.05 0.00 2.66 0.00 0.00 56.10 58.22 2cui s TRP 29 Cb -0.12 -0.35 -0.04 0.00 -3.10 0.00 0.00 33.47 29.87 2cui s TRP 29 CO -0.15 -0.09 0.05 -2.00 -2.66 0.00 0.00 176.95 172.09 2cui s GLU 30 N -1.39 3.54 0.01 3.25 2.12 -1.26 -4.68 118.70 120.30 2cui s GLU 30 Ca -0.10 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 2cui s GLU 30 Cb -0.09 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.24 2cui s GLU 30 CO 0.00 0.49 0.05 0.00 -0.54 0.00 0.00 175.26 175.26 2cui s ALA 31 N -0.26 -0.09 0.99 6.30 0.00 -1.26 -1.71 121.76 125.72 2cui s ALA 31 Ca 0.08 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 2cui s ALA 31 Cb -0.12 0.12 0.18 0.00 0.00 0.00 0.00 23.12 23.30 2cui s ALA 31 CO 0.02 -0.18 1.09 -1.25 0.00 0.00 0.00 175.76 175.44 2cui s PRO 32 N -1.38 0.52 0.36 0.00 0.04 -1.26 -5.00 135.00 128.29 2cui s PRO 32 Ca -0.15 0.56 -0.27 0.00 0.04 0.00 0.00 61.00 61.19 2cui s PRO 32 Cb -0.09 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 2cui s PRO 32 CO 0.00 -2.68 1.20 -1.25 0.04 0.00 0.00 177.00 174.32 2cui s PRO 33 N -4.96 4.22 -1.43 0.56 0.04 -1.26 -3.25 135.00 128.93 2cui s PRO 33 Ca 0.65 1.96 -0.13 0.00 0.04 0.00 0.00 61.00 63.52 2cui s PRO 33 Cb -0.19 -2.87 0.10 0.00 0.04 0.00 0.00 34.50 31.59 2cui s PRO 33 CO 0.58 -0.21 0.63 0.41 0.04 0.00 0.00 177.00 178.44 2cui n GLY 34 N 0.77 -0.48 0.03 0.56 0.00 -1.26 -4.88 105.19 99.94 2cui n GLY 34 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.95 0.00 -4.30 4.61 0.00 -1.94 -3.48 119.26 115.11 2cui h ALA 35 Ca -0.49 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 53.77 2cui h ALA 35 Cb 1.32 0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.88 2cui h ALA 35 CO 0.62 0.07 -0.84 -0.06 0.00 0.00 0.00 179.25 179.03 2cui s PHE 36 N -1.43 1.66 0.14 0.00 0.08 -1.26 -4.75 117.98 112.42 2cui s PHE 36 Ca -0.02 -0.33 -0.18 0.00 0.12 0.00 0.00 56.93 56.52 2cui s PHE 36 Cb 0.00 -1.08 0.01 0.00 -0.57 0.00 0.00 43.02 41.38 2cui s PHE 36 CO 0.03 -0.04 1.75 0.22 -0.10 0.00 0.00 175.22 177.08 2cui h ASP 37 N 5.75 0.12 -5.59 1.36 3.58 0.18 -3.26 116.42 118.56 2cui h ASP 37 Ca -0.37 0.03 -0.31 0.00 0.42 0.00 0.00 57.03 56.80 2cui h ASP 37 Cb 1.15 0.01 -0.09 0.00 1.72 0.00 0.00 39.33 42.12 2cui h ASP 37 CO 0.48 0.10 -0.24 -0.94 -2.88 0.00 0.00 179.24 175.77 2cui s SER 38 N -5.34 1.07 -0.12 2.28 1.04 -0.98 -2.53 113.70 109.11 2cui s SER 38 Ca -0.13 -1.54 -0.01 0.00 0.48 0.00 0.00 55.95 54.74 2cui s SER 38 Cb 0.11 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.91 2cui s SER 38 CO 0.70 -1.27 -0.02 -0.36 0.98 0.00 0.00 173.24 173.28 2cui s PHE 39 N -3.09 1.09 -0.45 5.02 0.08 0.43 -1.39 117.98 119.68 2cui s PHE 39 Ca 0.32 -0.60 -0.10 0.00 0.12 0.00 0.00 56.93 56.68 2cui s PHE 39 Cb 0.00 -1.03 0.10 0.00 -0.57 0.00 0.00 43.02 41.52 2cui s PHE 39 CO 0.22 -0.48 0.31 -1.17 -0.10 0.00 0.00 175.22 174.00 2cui s LEU 40 N 1.83 5.45 0.17 -0.37 2.96 -0.88 -2.11 118.68 125.73 2cui s LEU 40 Ca 0.03 -1.67 -0.22 0.00 -0.22 0.00 0.00 54.13 52.05 2cui s LEU 40 Cb -0.14 -2.02 -0.08 0.00 0.50 0.00 0.00 46.19 44.45 2cui s LEU 40 CO -0.07 -0.62 0.71 -0.22 -1.32 0.00 0.00 176.35 174.83 2cui s LEU 41 N 1.42 4.48 -0.17 -0.68 2.96 -1.11 -2.33 118.68 123.25 2cui s LEU 41 Ca 0.04 1.46 -0.02 0.00 -0.22 0.00 0.00 54.13 55.40 2cui s LEU 41 Cb -0.25 -3.32 0.05 0.00 0.50 0.00 0.00 46.19 43.17 2cui s LEU 41 CO 0.01 0.15 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.06 2cui s ARG 42 N -1.49 0.98 -0.20 1.98 0.52 -0.46 -2.87 118.95 117.41 2cui s ARG 42 Ca 0.37 -0.41 -0.02 0.00 -0.52 0.00 0.00 55.73 55.16 2cui s ARG 42 Cb -0.20 -1.92 -0.00 0.00 0.52 0.00 0.00 34.95 33.36 2cui s ARG 42 CO 0.22 -0.51 -0.09 -0.59 0.02 0.00 0.00 175.30 174.35 2cui s PHE 43 N 1.77 2.89 0.22 -0.53 -0.71 -1.26 -1.81 117.98 118.56 2cui s PHE 43 Ca 0.00 -1.08 0.05 0.00 -1.04 0.00 0.00 56.93 54.87 2cui s PHE 43 Cb -0.16 -2.02 -0.05 0.00 -1.21 0.00 0.00 43.02 39.58 2cui s PHE 43 CO -0.07 -0.57 -0.07 0.20 -1.34 0.00 0.00 175.22 173.37 2cui s GLY 44 N 1.29 1.50 -0.47 1.99 0.00 -1.09 -4.52 107.32 106.02 2cui s GLY 44 Ca 0.03 -1.72 -0.24 0.00 0.00 0.00 0.00 44.72 42.79 2cui s GLY 44 CO -0.05 -1.71 0.87 0.14 0.00 0.00 0.00 173.10 172.35 2cui s VAL 45 N -3.20 4.54 -0.30 1.40 1.01 -1.26 -3.18 120.40 119.40 2cui s VAL 45 Ca 0.25 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 2cui s VAL 45 Cb 0.03 -4.40 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 2cui s VAL 45 CO 0.07 -0.82 1.66 -2.16 0.00 0.00 0.00 175.10 173.86 2cui s PRO 46 N 3.58 3.56 0.05 2.72 0.04 -1.26 -4.99 135.00 138.70 2cui s PRO 46 Ca 0.33 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.59 2cui s PRO 46 Cb -0.11 -4.10 -0.06 0.00 0.04 0.00 0.00 34.50 30.27 2cui s PRO 46 CO 0.24 -1.58 0.69 0.45 0.04 0.00 0.00 177.00 176.84 2cui s SER 47 N 4.98 7.14 0.91 6.66 0.15 -1.26 -5.06 113.70 127.22 2cui s SER 47 Ca 0.74 1.36 -0.12 0.00 0.70 0.00 0.00 55.95 58.63 2cui s SER 47 Cb -0.22 -2.43 0.14 0.00 -1.71 0.00 0.00 66.02 61.80 2cui s SER 47 CO 0.32 0.10 1.09 -2.16 1.20 0.00 0.00 173.24 173.79 2cui s PRO 48 N -0.37 1.13 -0.13 5.44 0.04 -1.26 -5.00 135.00 134.85 2cui s PRO 48 Ca 0.34 0.77 0.19 0.00 0.04 0.00 0.00 61.00 62.35 2cui s PRO 48 Cb -0.20 -1.80 -0.28 0.00 0.04 0.00 0.00 34.50 32.26 2cui s PRO 48 CO 0.21 -2.32 0.24 0.45 0.04 0.00 0.00 177.00 175.62 2cui n SER 49 N -3.93 0.09 0.03 6.66 2.88 -1.26 -4.38 113.62 113.71 2cui n SER 49 Ca 0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.53 2cui n SER 49 Cb 0.56 1.41 -0.13 0.00 -0.75 0.00 0.00 64.21 65.29 2cui n SER 49 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2cui h THR 50 N 0.00 1.34 -2.96 2.46 2.02 -2.05 -3.46 112.91 110.25 2cui h THR 50 Ca -0.31 -3.10 -0.62 0.00 0.77 0.00 0.00 66.41 63.14 2cui h THR 50 Cb 1.70 2.67 -0.05 0.00 -1.74 0.00 0.00 68.15 70.73 2cui h THR 50 CO 0.02 0.77 -0.53 -0.76 0.37 0.00 0.00 175.52 175.39 2cui s LEU 51 N -6.47 4.20 0.25 2.58 1.43 -1.26 -5.10 118.68 114.31 2cui s LEU 51 Ca -0.02 0.19 -0.24 0.00 -1.03 0.00 0.00 54.13 53.03 2cui s LEU 51 Cb 0.09 -2.82 -0.09 0.00 0.03 0.00 0.00 46.19 43.40 2cui s LEU 51 CO 0.82 0.16 0.82 -1.61 0.23 0.00 0.00 176.35 176.78 2cui s GLU 52 N -2.52 4.47 0.63 1.70 2.02 -1.26 -4.61 118.70 119.12 2cui s GLU 52 Ca 0.33 1.13 -0.16 0.00 0.02 0.00 0.00 54.97 56.29 2cui s GLU 52 Cb -0.13 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.13 2cui s GLU 52 CO 0.26 0.40 1.12 -1.25 0.02 0.00 0.00 175.26 175.81 2cui s PRO 53 N -1.77 2.96 0.32 0.39 0.04 -1.26 -5.02 135.00 130.65 2cui s PRO 53 Ca 0.44 1.45 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 2cui s PRO 53 Cb -0.19 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 2cui s PRO 53 CO 0.24 -1.14 0.96 -1.01 0.04 0.00 0.00 177.00 176.09 2cui s HIS 54 N -2.18 3.68 -1.87 0.56 3.76 -1.26 -4.93 115.29 113.06 2cui s HIS 54 Ca 0.69 1.78 0.15 0.00 -0.15 0.00 0.00 55.06 57.53 2cui s HIS 54 Cb -0.21 -2.96 0.89 0.00 1.11 0.00 0.00 32.58 31.40 2cui s HIS 54 CO 0.37 0.14 1.36 -0.35 -0.85 0.00 0.00 174.74 175.41 2cui n PRO 55 N 0.63 0.42 -3.50 8.40 -0.04 -1.26 -4.73 135.00 134.92 2cui n PRO 55 Ca 0.02 0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 63.15 2cui n PRO 55 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.13 3.88 0.81 0.54 1.70 -1.26 -5.08 118.95 117.40 2cui s ARG 56 Ca 0.21 0.35 -0.11 0.00 -0.47 0.00 0.00 55.73 55.71 2cui s ARG 56 Cb 0.11 -3.10 0.08 0.00 -0.57 0.00 0.00 34.95 31.46 2cui s ARG 56 CO 0.19 0.61 1.09 -1.25 -1.08 0.00 0.00 175.30 174.87 2cui s PRO 57 N -1.50 1.97 -0.16 3.89 0.04 -1.26 -5.05 135.00 132.93 2cui s PRO 57 Ca 0.29 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.41 2cui s PRO 57 Cb -0.16 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2cui s PRO 57 CO 0.16 -1.81 -0.18 -0.51 0.04 0.00 0.00 177.00 174.70 2cui s LEU 58 N -6.01 2.31 -0.51 -3.56 1.43 -1.26 -5.08 118.68 106.00 2cui s LEU 58 Ca 0.62 -0.54 -0.28 0.00 -1.03 0.00 0.00 54.13 52.90 2cui s LEU 58 Cb -0.17 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.56 2cui s LEU 58 CO 0.56 0.07 1.09 -0.22 0.23 0.00 0.00 176.35 178.08 2cui s LEU 59 N 0.92 3.70 0.18 1.79 2.96 -1.26 -5.02 118.68 121.94 2cui s LEU 59 Ca -0.04 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 2cui s LEU 59 Cb -0.15 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2cui s LEU 59 CO -0.03 -1.28 0.10 -1.10 -1.32 0.00 0.00 176.35 172.72 2cui s GLN 60 N 4.42 2.74 0.10 1.98 1.11 -1.26 -5.05 119.66 123.69 2cui s GLN 60 Ca 0.43 -0.97 -0.14 0.00 0.01 0.00 0.00 55.36 54.69 2cui s GLN 60 Cb -0.08 -2.54 0.02 0.00 -1.01 0.00 0.00 33.01 29.40 2cui s GLN 60 CO 0.28 0.47 0.34 0.50 0.01 0.00 0.00 175.29 176.88 2cui s ARG 61 N -3.12 0.96 0.06 2.91 3.52 -1.26 -5.14 118.95 116.87 2cui s ARG 61 Ca 0.30 -0.70 0.07 0.00 -0.13 0.00 0.00 55.73 55.27 2cui s ARG 61 Cb -0.10 0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 2cui s ARG 61 CO 0.22 -0.35 -0.20 -1.21 -0.81 0.00 0.00 175.30 172.95 2cui s GLU 62 N -3.49 1.30 0.10 5.12 0.41 -1.26 -4.15 118.70 116.72 2cui s GLU 62 Ca 0.01 -0.98 0.04 0.00 -0.41 0.00 0.00 54.97 53.63 2cui s GLU 62 Cb 0.02 -1.44 -0.04 0.00 -1.78 0.00 0.00 34.13 30.89 2cui s GLU 62 CO -0.09 0.36 0.08 -1.17 -0.49 0.00 0.00 175.26 173.94 2cui s LEU 63 N -1.33 3.76 -0.19 1.80 2.96 -1.14 -4.96 118.68 119.58 2cui s LEU 63 Ca 0.07 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2cui s LEU 63 Cb -0.09 -2.44 0.04 0.00 0.50 0.00 0.00 46.19 44.20 2cui s LEU 63 CO 0.02 0.15 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.79 2cui s MET 64 N -2.50 2.01 -0.02 1.98 -2.45 -1.26 -2.74 119.30 114.32 2cui s MET 64 Ca 0.29 -0.79 0.01 0.00 -1.25 0.00 0.00 55.69 53.95 2cui s MET 64 Cb -0.12 -2.35 0.01 0.00 1.25 0.00 0.00 34.83 33.62 2cui s MET 64 CO 0.22 -0.41 -0.04 0.08 1.05 0.00 0.00 175.02 175.92 2cui s VAL 65 N 1.42 0.39 0.51 10.11 1.01 -0.90 -4.96 120.40 127.99 2cui s VAL 65 Ca -0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 2cui s VAL 65 Cb -0.16 -0.38 -0.06 0.00 0.00 0.00 0.00 36.38 35.78 2cui s VAL 65 CO -0.08 0.14 1.14 -2.16 0.00 0.00 0.00 175.10 174.14 2cui s PRO 66 N 0.28 3.49 0.27 2.72 0.04 -1.26 0.16 135.00 140.71 2cui s PRO 66 Ca -0.03 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.63 2cui s PRO 66 Cb -0.07 -2.14 0.53 0.00 0.04 0.00 0.00 34.50 32.87 2cui s PRO 66 CO -0.00 -0.75 1.60 0.78 0.04 0.00 0.00 177.00 178.67 2cui h GLY 67 N 1.49 0.92 0.17 0.56 0.00 -1.53 0.80 103.07 105.47 2cui h GLY 67 Ca -0.50 0.18 0.24 0.00 0.00 0.00 0.00 47.33 47.25 2cui h GLY 67 CO 0.58 -0.38 0.64 0.00 0.00 0.00 0.00 176.54 177.38 2cui h THR 68 N 0.04 0.59 -3.50 4.70 1.03 -1.87 -3.37 112.91 110.53 2cui h THR 68 Ca 0.48 -0.07 -0.63 0.00 -0.01 0.00 0.00 66.41 66.18 2cui h THR 68 Cb 0.87 0.36 -0.19 0.00 -1.07 0.00 0.00 68.15 68.13 2cui h THR 68 CO -0.83 0.04 -0.58 -0.13 -0.01 0.00 0.00 175.52 174.01 2cui s ARG 69 N -5.22 3.85 -0.66 0.00 0.52 0.28 -5.03 118.95 112.69 2cui s ARG 69 Ca -0.07 -0.39 0.05 0.00 -0.52 0.00 0.00 55.73 54.80 2cui s ARG 69 Cb 0.23 -3.31 0.27 0.00 0.52 0.00 0.00 34.95 32.66 2cui s ARG 69 CO 0.78 0.05 0.85 0.72 0.02 0.00 0.00 175.30 177.73 2cui n HIS 70 N 4.23 3.66 -4.00 -0.53 8.25 -1.26 -4.32 115.22 121.26 2cui n HIS 70 Ca -0.16 -4.01 -0.08 0.00 -0.26 0.00 0.00 57.72 53.21 2cui n HIS 70 Cb 0.52 -0.59 -0.10 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.66 0.32 -0.29 0.41 1.04 -1.26 -3.38 113.70 107.89 2cui s SER 71 Ca 0.42 -0.76 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 2cui s SER 71 Cb 0.17 0.21 0.10 0.00 0.10 0.00 0.00 66.02 66.61 2cui s SER 71 CO -0.03 -0.55 0.72 0.00 0.98 0.00 0.00 173.24 174.36 2cui s ALA 72 N -3.21 -1.99 -0.12 5.32 0.00 -1.24 -4.88 121.76 115.63 2cui s ALA 72 Ca 0.00 2.37 0.01 0.00 0.00 0.00 0.00 51.96 54.35 2cui s ALA 72 Cb 0.03 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.60 2cui s ALA 72 CO -0.07 -0.52 -0.14 0.08 0.00 0.00 0.00 175.76 175.10 2cui s VAL 73 N 1.93 1.45 -0.18 0.00 1.01 -1.26 -0.64 120.40 122.70 2cui s VAL 73 Ca -0.09 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2cui s VAL 73 Cb -0.06 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 2cui s VAL 73 CO -0.19 0.43 0.02 -0.76 0.00 0.00 0.00 175.10 174.60 2cui s LEU 74 N 1.17 3.50 0.37 3.92 2.01 -1.22 -5.00 118.68 123.43 2cui s LEU 74 Ca -0.03 -0.06 0.08 0.00 0.01 0.00 0.00 54.13 54.13 2cui s LEU 74 Cb -0.14 -1.88 -0.05 0.00 0.01 0.00 0.00 46.19 44.13 2cui s LEU 74 CO -0.04 0.14 0.11 -0.13 1.01 0.00 0.00 176.35 177.44 2cui s ARG 75 N 0.58 2.22 -0.87 1.70 0.52 -1.26 -3.29 118.95 118.55 2cui s ARG 75 Ca 0.01 -1.73 -0.05 0.00 -0.52 0.00 0.00 55.73 53.43 2cui s ARG 75 Cb -0.14 -2.02 0.01 0.00 0.52 0.00 0.00 34.95 33.32 2cui s ARG 75 CO 0.02 0.03 0.76 -3.47 0.02 0.00 0.00 175.30 172.66 2cui n ASP 76 N -1.12 -4.69 -4.97 0.23 -0.08 -1.18 -4.99 116.55 99.76 2cui n ASP 76 Ca -0.03 -0.35 -0.22 0.00 -1.51 0.00 0.00 54.79 52.68 2cui n ASP 76 Cb 0.63 -3.44 0.03 0.00 2.34 0.00 0.00 41.12 40.68 2cui n ASP 76 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2cui s LEU 77 N -5.07 3.30 0.63 -2.67 1.43 0.42 -5.06 118.68 111.65 2cui s LEU 77 Ca 0.36 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 2cui s LEU 77 Cb -0.16 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 2cui s LEU 77 CO 0.47 -1.11 1.00 -0.60 0.23 0.00 0.00 176.35 176.35 2cui s ARG 78 N -4.77 3.28 0.17 1.70 6.06 -1.26 -4.62 118.95 119.51 2cui s ARG 78 Ca 0.56 0.50 -0.29 0.00 -2.50 0.00 0.00 55.73 54.00 2cui s ARG 78 Cb -0.10 -2.12 -0.07 0.00 0.06 0.00 0.00 34.95 32.71 2cui s ARG 78 CO 0.39 -0.69 0.93 -1.12 -2.50 0.00 0.00 175.30 172.31 2cui s SER 79 N -4.24 7.55 -0.89 -2.12 0.01 -1.26 -4.13 113.70 108.62 2cui s SER 79 Ca 0.55 1.84 -0.24 0.00 1.31 0.00 0.00 55.95 59.41 2cui s SER 79 Cb -0.11 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.57 2cui s SER 79 CO 0.51 0.06 0.45 0.61 0.41 0.00 0.00 173.24 175.29 2cui n GLY 80 N 1.85 -0.56 3.05 3.44 0.00 -0.71 -4.90 105.19 107.36 2cui n GLY 80 Ca -0.00 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.95 0.75 -0.05 2.61 2.01 -1.26 -4.90 115.64 110.85 2cui s THR 81 Ca 0.33 -0.59 -0.28 0.00 0.31 0.00 0.00 61.69 61.46 2cui s THR 81 Cb -0.19 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 2cui s THR 81 CO 0.70 0.08 0.92 -0.22 -0.69 0.00 0.00 174.62 175.41 2cui s LEU 82 N -0.58 4.31 0.05 4.42 1.98 -1.26 -2.65 118.68 124.95 2cui s LEU 82 Ca 0.01 1.50 0.08 0.00 -2.89 0.00 0.00 54.13 52.82 2cui s LEU 82 Cb -0.05 -3.45 -0.03 0.00 0.66 0.00 0.00 46.19 43.32 2cui s LEU 82 CO 0.00 -0.29 -0.20 -0.31 -1.89 0.00 0.00 176.35 173.66 2cui s TYR 83 N 1.33 2.51 -0.39 5.38 2.02 -0.75 -4.67 117.35 122.78 2cui s TYR 83 Ca 0.47 -0.29 -0.14 0.00 -0.37 0.00 0.00 57.07 56.75 2cui s TYR 83 Cb -0.19 -1.44 0.02 0.00 -0.40 0.00 0.00 41.96 39.94 2cui s TYR 83 CO 0.22 0.24 0.26 0.45 -1.57 0.00 0.00 175.55 175.16 2cui s SER 84 N -1.46 5.99 -0.14 2.29 0.15 -1.19 -3.26 113.70 116.09 2cui s SER 84 Ca 0.14 -0.85 -0.07 0.00 0.70 0.00 0.00 55.95 55.88 2cui s SER 84 Cb -0.10 -2.12 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 2cui s SER 84 CO 0.05 -0.40 0.10 -0.76 1.20 0.00 0.00 173.24 173.44 2cui s LEU 85 N 1.65 4.13 -0.21 3.45 1.43 -0.77 -2.68 118.68 125.68 2cui s LEU 85 Ca 0.04 0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2cui s LEU 85 Cb -0.19 -2.01 0.07 0.00 0.03 0.00 0.00 46.19 44.09 2cui s LEU 85 CO 0.09 0.33 0.10 -0.89 0.23 0.00 0.00 176.35 176.21 2cui s THR 86 N -0.55 0.01 0.35 5.49 2.01 -0.75 -0.77 115.64 121.43 2cui s THR 86 Ca 0.12 -0.42 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 2cui s THR 86 Cb -0.12 -0.78 -0.08 0.00 0.01 0.00 0.00 72.50 71.54 2cui s THR 86 CO 0.02 -0.42 0.74 -0.22 -0.69 0.00 0.00 174.62 174.05 2cui s LEU 87 N 2.08 3.98 -0.07 4.42 2.96 -0.84 -1.36 118.68 129.86 2cui s LEU 87 Ca 0.04 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 2cui s LEU 87 Cb -0.16 -4.03 0.02 0.00 0.50 0.00 0.00 46.19 42.52 2cui s LEU 87 CO -0.18 -0.27 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.20 2cui s TYR 88 N -2.12 1.15 -0.84 5.38 2.02 -0.99 -2.14 117.35 119.81 2cui s TYR 88 Ca 0.53 -0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 56.59 2cui s TYR 88 Cb -0.10 -0.94 0.11 0.00 -0.40 0.00 0.00 41.96 40.62 2cui s TYR 88 CO 0.23 -0.31 1.08 0.20 -1.57 0.00 0.00 175.55 175.18 2cui s GLY 89 N 1.11 1.73 -0.40 0.71 0.00 0.41 -2.07 107.32 108.82 2cui s GLY 89 Ca -0.07 -2.46 -0.28 0.00 0.00 0.00 0.00 44.72 41.91 2cui s GLY 89 CO -0.01 2.04 1.61 1.08 0.00 0.00 0.00 173.10 177.82 2cui s LEU 90 N 3.19 3.52 -0.16 0.66 2.01 -0.49 -0.21 118.68 127.20 2cui s LEU 90 Ca 0.29 0.96 0.15 0.00 0.01 0.00 0.00 54.13 55.54 2cui s LEU 90 Cb -0.09 -3.43 0.71 0.00 0.01 0.00 0.00 46.19 43.39 2cui s LEU 90 CO -0.03 -1.63 1.61 -2.11 1.01 0.00 0.00 176.35 175.19 2cui n ARG 91 N 8.34 4.08 0.00 1.70 -4.01 -1.23 0.19 116.66 125.73 2cui n ARG 91 Ca 0.19 -2.77 0.00 0.00 -1.04 0.00 0.00 57.85 54.23 2cui n ARG 91 Cb 0.48 -2.04 0.00 0.00 -3.04 0.00 0.00 32.46 27.86 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 0.82 0.43 0.08 2.89 0.00 -1.26 -4.73 105.19 103.42 2cui n GLY 92 Ca 0.25 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.08 -5.78 1.61 0.13 -2.01 -3.46 132.00 122.41 2cui h PRO 93 Ca 0.00 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.64 2cui h PRO 93 Cb 0.00 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 30.99 2cui h PRO 93 CO 0.00 0.38 -0.75 -3.38 -0.23 0.00 0.00 178.00 174.01 2cui s HIS 94 N -4.21 1.83 0.52 1.56 -3.43 -1.26 -5.12 115.29 105.18 2cui s HIS 94 Ca -0.15 -0.50 -0.22 0.00 -0.80 0.00 0.00 55.06 53.38 2cui s HIS 94 Cb 0.02 -0.86 -0.06 0.00 -1.43 0.00 0.00 32.58 30.25 2cui s HIS 94 CO 0.63 0.40 1.31 0.15 -2.00 0.00 0.00 174.74 175.23 2cui s LYS 95 N -3.34 3.31 -0.24 -0.38 1.02 -1.26 -3.54 119.74 115.30 2cui s LYS 95 Ca 0.21 2.12 -0.16 0.00 0.02 0.00 0.00 55.97 58.17 2cui s LYS 95 Cb -0.03 -2.30 -0.10 0.00 -0.52 0.00 0.00 37.83 34.88 2cui s LYS 95 CO 0.08 -1.02 -0.33 0.00 -0.92 0.00 0.00 175.35 173.16 2cui n ALA 96 N -0.88 1.06 -2.52 5.17 0.00 0.70 -4.86 120.51 119.18 2cui n ALA 96 Ca 0.09 -0.97 -0.24 0.00 0.00 0.00 0.00 53.44 52.32 2cui n ALA 96 Cb 0.46 0.07 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 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 -6.89 3.11 -0.28 0.00 1.01 -1.24 -4.97 116.67 107.41 2cui s ASP 97 Ca -0.35 -1.33 -0.13 0.00 0.71 0.00 0.00 52.55 51.46 2cui s ASP 97 Cb 0.11 -0.24 0.10 0.00 1.01 0.00 0.00 42.92 43.90 2cui s ASP 97 CO 0.47 -0.47 0.64 -0.94 0.21 0.00 0.00 175.17 175.08 2cui s SER 98 N -3.57 -0.97 0.29 0.27 1.04 -1.26 -0.44 113.70 109.06 2cui s SER 98 Ca 0.34 1.48 0.08 0.00 0.48 0.00 0.00 55.95 58.33 2cui s SER 98 Cb 0.08 1.72 -0.04 0.00 0.10 0.00 0.00 66.02 67.88 2cui s SER 98 CO 0.16 -0.23 0.18 -0.51 0.98 0.00 0.00 173.24 173.82 2cui s ILE 99 N 2.18 3.83 -0.21 -1.02 2.07 -0.91 -4.95 121.20 122.19 2cui s ILE 99 Ca -0.08 -1.53 0.02 0.00 -1.41 0.00 0.00 60.65 57.65 2cui s ILE 99 Cb -0.08 -3.19 0.04 0.00 0.13 0.00 0.00 42.46 39.36 2cui s ILE 99 CO -0.19 -0.29 -0.14 -1.10 -1.91 0.00 0.00 174.94 171.32 2cui s GLN 100 N -3.85 2.44 -0.19 3.50 -0.21 -1.26 -1.98 119.66 118.10 2cui s GLN 100 Ca 0.35 -0.99 0.01 0.00 0.02 0.00 0.00 55.36 54.75 2cui s GLN 100 Cb -0.06 -2.61 0.02 0.00 1.00 0.00 0.00 33.01 31.36 2cui s GLN 100 CO 0.24 -0.39 -0.17 0.20 -2.12 0.00 0.00 175.29 173.04 2cui s GLY 101 N 1.27 1.44 0.02 3.09 0.00 0.05 -4.89 107.32 108.29 2cui s GLY 101 Ca -0.01 -1.26 -0.03 0.00 0.00 0.00 0.00 44.72 43.41 2cui s GLY 101 CO -0.09 0.32 0.22 -0.51 0.00 0.00 0.00 173.10 173.05 2cui s THR 102 N 1.30 5.38 -0.15 0.90 -4.23 -1.26 -1.84 115.64 115.73 2cui s THR 102 Ca 0.04 -0.09 -0.26 0.00 -1.18 0.00 0.00 61.69 60.20 2cui s THR 102 Cb -0.14 -3.56 0.06 0.00 1.34 0.00 0.00 72.50 70.20 2cui s THR 102 CO -0.11 0.29 0.65 0.00 -0.54 0.00 0.00 174.62 174.91 2cui s ALA 103 N -1.37 -1.66 -0.20 3.99 0.00 -1.20 -4.77 121.76 116.55 2cui s ALA 103 Ca 0.29 1.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.79 2cui s ALA 103 Cb -0.13 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.44 2cui s ALA 103 CO 0.20 -0.34 -0.11 0.50 0.00 0.00 0.00 175.76 176.01 2cui s ARG 104 N -0.41 3.18 1.37 0.00 3.52 -1.26 -1.81 118.95 123.55 2cui s ARG 104 Ca -0.06 -0.73 -0.21 0.00 -0.13 0.00 0.00 55.73 54.60 2cui s ARG 104 Cb -0.03 -2.81 0.35 0.00 -1.56 0.00 0.00 34.95 30.90 2cui s ARG 104 CO 0.05 -0.21 0.96 0.95 -0.81 0.00 0.00 175.30 176.24 2cui s THR 105 N 1.39 1.34 0.19 4.11 -4.23 -1.08 -4.89 115.64 112.47 2cui s THR 105 Ca 0.05 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2cui s THR 105 Cb -0.14 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 2cui s THR 105 CO -0.08 0.00 0.33 -0.76 -0.54 0.00 0.00 174.62 173.58 2cui s LEU 106 N -7.68 4.31 0.03 4.79 1.43 -1.20 -4.07 118.68 116.29 2cui s LEU 106 Ca 0.69 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.94 2cui s LEU 106 Cb -0.14 -2.94 -0.27 0.00 0.03 0.00 0.00 46.19 42.86 2cui s LEU 106 CO 0.59 -0.02 0.98 -1.28 0.23 0.00 0.00 176.35 176.85 2cui h SER 107 N 1.74 0.37 -2.36 2.29 0.87 -1.90 -1.90 113.55 112.66 2cui h SER 107 Ca -0.50 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 59.60 2cui h SER 107 Cb 1.21 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2cui h SER 107 CO 0.66 1.38 0.00 0.61 -0.53 0.00 0.00 176.83 178.95 2cui n GLY 108 N 1.60 3.82 3.69 5.77 0.00 -1.26 -4.76 105.19 114.05 2cui n GLY 108 Ca -0.13 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2cui n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cui s PRO 109 N -4.50 4.28 0.28 1.61 0.04 -1.26 -5.00 135.00 130.45 2cui s PRO 109 Ca 0.00 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 2cui s PRO 109 Cb 0.00 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2cui s PRO 109 CO 0.00 -0.56 0.52 -1.12 0.04 0.00 0.00 177.00 175.88 2cui s SER 110 N 1.77 0.10 0.05 6.66 0.01 -1.26 -5.08 113.70 115.95 2cui s SER 110 Ca 0.65 -1.04 -0.31 0.00 1.31 0.00 0.00 55.95 56.56 2cui s SER 110 Cb -0.33 0.63 -0.18 0.00 0.21 0.00 0.00 66.02 66.35 2cui s SER 110 CO 0.28 -1.23 1.48 -1.28 0.41 0.00 0.00 173.24 172.90 2cui h SER 111 N 2.19 -0.74 0.00 2.44 0.87 -2.07 -3.56 113.55 112.69 2cui h SER 111 Ca -0.27 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2cui h SER 111 Cb 1.25 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2cui h SER 111 CO 0.36 -0.46 0.00 0.61 -0.53 0.00 0.00 176.83 176.81