#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 4.03 0.37 1.61 0.15 -1.26 -5.12 113.70 113.48 2cui s SER 2 Ca 0.00 -2.29 0.07 0.00 0.70 0.00 0.00 55.95 54.43 2cui s SER 2 Cb 0.00 -1.15 -0.00 0.00 -1.71 0.00 0.00 66.02 63.16 2cui s SER 2 CO 0.00 -0.33 0.51 -0.94 1.20 0.00 0.00 173.24 173.69 2cui s SER 3 N 0.76 5.86 0.00 5.45 1.04 -1.26 -5.12 113.70 120.44 2cui s SER 3 Ca 0.14 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2cui s SER 3 Cb -0.22 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.84 2cui s SER 3 CO -0.09 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2cui n GLY 4 N -1.73 0.61 2.93 7.32 0.00 -1.26 -4.96 105.19 108.10 2cui n GLY 4 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.10 -4.60 1.61 2.88 -1.26 -4.92 113.62 103.23 2cui n SER 5 Ca 0.00 -0.41 -0.45 0.00 -1.33 0.00 0.00 58.87 56.68 2cui n SER 5 Cb 0.00 -3.81 -0.02 0.00 -0.75 0.00 0.00 64.21 59.63 2cui n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cui n SER 6 N -2.04 1.47 0.00 -3.46 2.88 -1.26 -4.93 113.62 106.28 2cui n SER 6 Ca -0.07 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2cui n SER 6 Cb 0.57 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2cui n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cui n GLY 7 N 1.27 4.00 3.51 0.46 0.00 -1.26 -5.07 105.19 108.10 2cui n GLY 7 Ca 0.10 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2cui n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cui s SER 8 N 0.00 6.28 -0.01 1.61 1.04 -1.26 -5.00 113.70 116.37 2cui s SER 8 Ca 0.00 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.47 2cui s SER 8 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2cui s SER 8 CO 0.00 -1.56 -0.12 -0.13 0.98 0.00 0.00 173.24 172.41 2cui s ARG 9 N 4.69 2.43 0.31 4.02 0.52 -1.26 -5.11 118.95 124.55 2cui s ARG 9 Ca 0.33 -0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 54.48 2cui s ARG 9 Cb -0.09 -2.39 -0.10 0.00 0.52 0.00 0.00 34.95 32.89 2cui s ARG 9 CO 0.06 0.60 1.23 -1.25 0.02 0.00 0.00 175.30 175.96 2cui s PRO 10 N -1.17 4.46 0.44 3.54 0.04 -1.26 -5.05 135.00 136.00 2cui s PRO 10 Ca 0.14 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.28 2cui s PRO 10 Cb -0.11 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 2cui s PRO 10 CO 0.04 -0.05 0.13 1.03 0.04 0.00 0.00 177.00 178.20 2cui s ARG 11 N -1.60 2.03 0.44 4.56 3.00 -1.26 -4.91 118.95 121.21 2cui s ARG 11 Ca 0.48 -2.27 0.02 0.00 0.00 0.00 0.00 55.73 53.96 2cui s ARG 11 Cb -0.37 -0.68 -0.00 0.00 0.00 0.00 0.00 34.95 33.90 2cui s ARG 11 CO 0.48 -0.53 0.64 -0.51 0.00 0.00 0.00 175.30 175.39 2cui s LEU 12 N -3.67 3.67 0.59 2.53 1.43 -1.26 -4.57 118.68 117.40 2cui s LEU 12 Ca 0.19 0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 2cui s LEU 12 Cb 0.01 -3.06 0.08 0.00 0.03 0.00 0.00 46.19 43.25 2cui s LEU 12 CO 0.13 -0.69 0.67 -0.55 0.23 0.00 0.00 176.35 176.14 2cui s SER 13 N -4.23 4.86 -0.23 2.29 0.15 -0.78 -4.99 113.70 110.77 2cui s SER 13 Ca 0.49 -1.06 -0.29 0.00 0.70 0.00 0.00 55.95 55.78 2cui s SER 13 Cb -0.10 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.64 2cui s SER 13 CO 0.37 -1.34 2.21 0.00 1.20 0.00 0.00 173.24 175.68 2cui n GLN 14 N -2.12 1.85 -2.63 5.44 10.64 -1.26 -4.68 117.38 124.62 2cui n GLN 14 Ca 0.10 0.51 -0.42 0.00 -1.83 0.00 0.00 57.00 55.36 2cui n GLN 14 Cb 0.63 -3.12 -0.03 0.00 -0.86 0.00 0.00 30.24 26.86 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 8.10 3.52 0.27 2.61 2.96 -1.26 -4.68 118.68 130.20 2cui s LEU 15 Ca 1.02 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 2cui s LEU 15 Cb -0.41 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 2cui s LEU 15 CO 0.37 -1.55 0.12 -0.44 -1.32 0.00 0.00 176.35 173.54 2cui s SER 16 N 3.22 5.09 -0.14 3.68 0.01 -1.19 -4.67 113.70 119.70 2cui s SER 16 Ca 0.37 -0.45 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 2cui s SER 16 Cb -0.09 -1.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.00 2cui s SER 16 CO 0.20 -0.06 -0.11 -0.69 0.41 0.00 0.00 173.24 172.99 2cui s VAL 17 N -2.23 3.18 0.21 3.43 1.01 -1.26 -2.08 120.40 122.66 2cui s VAL 17 Ca 0.33 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.79 2cui s VAL 17 Cb -0.07 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 2cui s VAL 17 CO 0.23 0.52 -0.18 0.42 0.00 0.00 0.00 175.10 176.08 2cui s THR 18 N 0.39 2.03 -1.35 3.92 -4.23 0.86 -4.76 115.64 112.51 2cui s THR 18 Ca -0.09 -2.15 -0.08 0.00 -1.18 0.00 0.00 61.69 58.19 2cui s THR 18 Cb -0.16 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.64 2cui s THR 18 CO 0.05 -0.40 1.16 0.47 -0.54 0.00 0.00 174.62 175.37 2cui n ASP 19 N -0.15 -5.90 -4.51 3.99 9.92 -1.26 -1.33 116.55 117.31 2cui n ASP 19 Ca -0.09 -0.55 -0.41 0.00 -0.53 0.00 0.00 54.79 53.20 2cui n ASP 19 Cb 0.59 -5.02 -0.08 0.00 -0.64 0.00 0.00 41.12 35.97 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 -4.92 0.02 -2.77 2.53 0.31 -1.26 -4.32 118.33 107.93 2cui n VAL 20 Ca -0.02 -0.42 -0.31 0.00 -0.01 0.00 0.00 64.34 63.58 2cui n VAL 20 Cb 0.57 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 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 9.93 4.73 0.25 2.52 2.01 0.65 -4.54 115.64 131.19 2cui s THR 21 Ca 1.12 0.75 -0.10 0.00 0.31 0.00 0.00 61.69 63.77 2cui s THR 21 Cb -0.67 -3.73 0.36 0.00 0.01 0.00 0.00 72.50 68.48 2cui s THR 21 CO 0.39 -0.55 1.59 0.71 -0.69 0.00 0.00 174.62 176.07 2cui h THR 22 N 1.08 0.16 0.00 -0.82 1.35 -1.91 -2.11 112.91 110.66 2cui h THR 22 Ca -0.47 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2cui h THR 22 Cb 1.19 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2cui h THR 22 CO 0.63 0.00 -0.17 -1.20 -0.25 0.00 0.00 175.52 174.53 2cui n SER 23 N -5.54 1.80 -3.01 5.36 7.64 -1.26 -3.39 113.62 115.23 2cui n SER 23 Ca 0.12 -2.94 -0.12 0.00 1.01 0.00 0.00 58.87 56.95 2cui n SER 23 Cb 0.43 -0.39 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.54 0.44 0.04 6.43 0.01 -0.80 -1.03 113.70 116.26 2cui s SER 24 Ca 0.27 -1.32 -0.27 0.00 1.31 0.00 0.00 55.95 55.94 2cui s SER 24 Cb 0.24 0.78 0.09 0.00 0.21 0.00 0.00 66.02 67.34 2cui s SER 24 CO 0.01 -1.54 1.21 -1.48 0.41 0.00 0.00 173.24 171.85 2cui s LEU 25 N -3.15 -0.00 0.05 2.44 0.05 -1.22 0.24 118.68 117.08 2cui s LEU 25 Ca 0.22 -0.34 0.04 0.00 0.05 0.00 0.00 54.13 54.10 2cui s LEU 25 Cb -0.03 1.56 -0.02 0.00 -2.05 0.00 0.00 46.19 45.64 2cui s LEU 25 CO 0.16 -0.50 -0.12 -0.60 -0.55 0.00 0.00 176.35 174.74 2cui s ARG 26 N -2.13 0.74 0.31 1.48 3.52 -0.44 -3.49 118.95 118.94 2cui s ARG 26 Ca 0.25 -0.78 0.10 0.00 -0.13 0.00 0.00 55.73 55.17 2cui s ARG 26 Cb -0.01 -0.68 -0.05 0.00 -1.56 0.00 0.00 34.95 32.66 2cui s ARG 26 CO 0.01 0.15 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.11 2cui s LEU 27 N -1.39 2.98 -0.25 -0.88 1.43 0.15 -0.10 118.68 120.63 2cui s LEU 27 Ca -0.03 -0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 2cui s LEU 27 Cb -0.09 -1.43 0.13 0.00 0.03 0.00 0.00 46.19 44.83 2cui s LEU 27 CO 0.01 -0.11 0.50 0.20 0.23 0.00 0.00 176.35 177.18 2cui s ASN 28 N -3.67 -0.57 -0.01 2.29 0.01 -0.88 -3.75 114.94 108.36 2cui s ASN 28 Ca 0.33 0.94 0.04 0.00 -0.71 0.00 0.00 52.86 53.46 2cui s ASN 28 Cb -0.03 1.68 -0.01 0.00 0.41 0.00 0.00 41.25 43.30 2cui s ASN 28 CO 0.19 -0.25 -0.12 -1.66 -1.51 0.00 0.00 177.10 173.75 2cui s TRP 29 N 2.71 1.09 -0.10 2.20 -2.14 -1.20 -3.16 118.94 118.34 2cui s TRP 29 Ca 0.05 -0.21 -0.09 0.00 2.66 0.00 0.00 56.10 58.50 2cui s TRP 29 Cb -0.13 -0.70 -0.04 0.00 -3.10 0.00 0.00 33.47 29.49 2cui s TRP 29 CO -0.16 -0.02 0.21 -2.00 -2.66 0.00 0.00 176.95 172.32 2cui s GLU 30 N -0.34 3.65 -0.05 3.25 2.12 -1.26 -4.68 118.70 121.40 2cui s GLU 30 Ca 0.04 -0.00 -0.09 0.00 0.36 0.00 0.00 54.97 55.28 2cui s GLU 30 Cb -0.05 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.13 2cui s GLU 30 CO -0.00 0.69 0.22 0.00 -0.54 0.00 0.00 175.26 175.63 2cui s ALA 31 N -0.84 -0.55 0.97 6.30 0.00 -1.26 -1.86 121.76 124.51 2cui s ALA 31 Ca 0.16 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 2cui s ALA 31 Cb -0.13 -0.14 0.17 0.00 0.00 0.00 0.00 23.12 23.02 2cui s ALA 31 CO 0.06 -0.17 1.09 -1.25 0.00 0.00 0.00 175.76 175.49 2cui s PRO 32 N -0.63 0.66 0.36 0.00 0.04 -1.26 -5.00 135.00 129.18 2cui s PRO 32 Ca -0.07 0.60 -0.27 0.00 0.04 0.00 0.00 61.00 61.30 2cui s PRO 32 Cb -0.04 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 2cui s PRO 32 CO 0.01 -2.59 1.20 -1.25 0.04 0.00 0.00 177.00 174.41 2cui s PRO 33 N -4.96 4.21 -1.48 0.56 0.04 -1.26 -3.23 135.00 128.90 2cui s PRO 33 Ca 0.65 1.96 -0.06 0.00 0.04 0.00 0.00 61.00 63.58 2cui s PRO 33 Cb -0.18 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.52 2cui s PRO 33 CO 0.57 -0.22 0.56 0.41 0.04 0.00 0.00 177.00 178.37 2cui n GLY 34 N 0.77 -0.51 0.07 0.56 0.00 -1.26 -4.91 105.19 99.91 2cui n GLY 34 Ca 0.02 0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 1.00 0.04 -2.48 4.61 0.00 -1.94 -3.49 119.26 117.00 2cui h ALA 35 Ca -0.50 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 53.72 2cui h ALA 35 Cb 1.34 0.33 -0.16 0.00 0.00 0.00 0.00 17.79 19.30 2cui h ALA 35 CO 0.56 0.32 -0.71 -0.06 0.00 0.00 0.00 179.25 179.36 2cui s PHE 36 N -2.04 0.84 0.00 0.00 0.08 -1.26 -4.74 117.98 110.87 2cui s PHE 36 Ca -0.13 -0.81 -0.16 0.00 0.12 0.00 0.00 56.93 55.96 2cui s PHE 36 Cb 0.01 -0.49 -0.34 0.00 -0.57 0.00 0.00 43.02 41.63 2cui s PHE 36 CO 0.25 -0.13 0.92 0.22 -0.10 0.00 0.00 175.22 176.38 2cui h ASP 37 N 3.36 0.75 -5.55 1.36 1.82 -0.62 -3.36 116.42 114.18 2cui h ASP 37 Ca -0.35 -0.93 -0.27 0.00 -0.39 0.00 0.00 57.03 55.09 2cui h ASP 37 Cb 1.17 -0.25 -0.09 0.00 0.68 0.00 0.00 39.33 40.85 2cui h ASP 37 CO 0.58 1.68 -0.26 -0.94 -1.61 0.00 0.00 179.24 178.70 2cui s SER 38 N -7.45 0.84 -0.10 2.28 1.04 -0.96 -2.49 113.70 106.86 2cui s SER 38 Ca -0.11 -1.45 -0.01 0.00 0.48 0.00 0.00 55.95 54.85 2cui s SER 38 Cb 0.04 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.81 2cui s SER 38 CO 0.91 -1.21 -0.01 -0.36 0.98 0.00 0.00 173.24 173.55 2cui s PHE 39 N -3.30 0.91 -0.37 5.02 0.08 0.50 -1.88 117.98 118.94 2cui s PHE 39 Ca 0.32 -0.41 -0.09 0.00 0.12 0.00 0.00 56.93 56.87 2cui s PHE 39 Cb 0.01 -0.93 0.04 0.00 -0.57 0.00 0.00 43.02 41.56 2cui s PHE 39 CO 0.19 -0.42 0.18 -1.17 -0.10 0.00 0.00 175.22 173.91 2cui s LEU 40 N 1.89 4.64 -0.05 -0.37 2.96 -0.93 -1.86 118.68 124.97 2cui s LEU 40 Ca 0.04 -1.12 -0.15 0.00 -0.22 0.00 0.00 54.13 52.67 2cui s LEU 40 Cb -0.13 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 2cui s LEU 40 CO -0.06 -0.39 0.41 -0.22 -1.32 0.00 0.00 176.35 174.76 2cui s LEU 41 N 1.48 4.40 -0.19 -0.68 2.96 -1.05 -1.03 118.68 124.58 2cui s LEU 41 Ca 0.01 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 2cui s LEU 41 Cb -0.20 -2.58 0.04 0.00 0.50 0.00 0.00 46.19 43.95 2cui s LEU 41 CO 0.05 0.23 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.06 2cui s ARG 42 N -0.53 2.16 -0.26 1.98 0.52 -0.26 -2.47 118.95 120.09 2cui s ARG 42 Ca 0.23 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2cui s ARG 42 Cb -0.16 -2.36 0.05 0.00 0.52 0.00 0.00 34.95 33.01 2cui s ARG 42 CO 0.11 -0.37 -0.08 -0.59 0.02 0.00 0.00 175.30 174.39 2cui s PHE 43 N 1.41 3.21 0.23 -0.53 -0.71 -1.26 -1.48 117.98 118.84 2cui s PHE 43 Ca 0.01 -2.07 0.09 0.00 -1.04 0.00 0.00 56.93 53.92 2cui s PHE 43 Cb -0.15 -1.99 -0.05 0.00 -1.21 0.00 0.00 43.02 39.62 2cui s PHE 43 CO -0.09 -0.84 -0.16 0.20 -1.34 0.00 0.00 175.22 172.99 2cui s GLY 44 N 1.18 1.57 -0.45 1.99 0.00 -1.04 -4.53 107.32 106.04 2cui s GLY 44 Ca -0.06 -1.72 -0.27 0.00 0.00 0.00 0.00 44.72 42.67 2cui s GLY 44 CO -0.04 -1.81 1.00 0.14 0.00 0.00 0.00 173.10 172.39 2cui s VAL 45 N -2.78 4.39 -0.41 1.40 1.01 -1.26 -2.89 120.40 119.86 2cui s VAL 45 Ca 0.24 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 62.92 2cui s VAL 45 Cb -0.02 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 2cui s VAL 45 CO 0.09 -0.85 1.73 -2.16 0.00 0.00 0.00 175.10 173.91 2cui s PRO 46 N 3.96 3.23 -0.20 2.72 0.04 -1.26 -4.99 135.00 138.50 2cui s PRO 46 Ca 0.41 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.54 2cui s PRO 46 Cb -0.09 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.21 2cui s PRO 46 CO 0.27 -1.99 0.03 -1.54 0.04 0.00 0.00 177.00 173.80 2cui s SER 47 N 6.09 5.11 0.95 6.66 1.04 -1.26 -5.09 113.70 127.19 2cui s SER 47 Ca 0.73 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.93 2cui s SER 47 Cb -0.18 -1.88 0.16 0.00 0.10 0.00 0.00 66.02 64.22 2cui s SER 47 CO 0.31 0.09 1.09 -2.16 0.98 0.00 0.00 173.24 173.55 2cui s PRO 48 N 0.84 0.84 -0.32 4.02 0.04 -1.26 -4.95 135.00 134.21 2cui s PRO 48 Ca 0.02 0.67 0.07 0.00 0.04 0.00 0.00 61.00 61.80 2cui s PRO 48 Cb -0.14 -1.77 0.63 0.00 0.04 0.00 0.00 34.50 33.26 2cui s PRO 48 CO 0.02 -2.49 1.71 0.45 0.04 0.00 0.00 177.00 176.73 2cui n SER 49 N -4.03 4.23 -0.05 6.66 2.88 -1.26 -4.10 113.62 117.95 2cui n SER 49 Ca 0.06 -3.16 -0.05 0.00 -1.33 0.00 0.00 58.87 54.39 2cui n SER 49 Cb 0.56 -0.74 -0.08 0.00 -0.75 0.00 0.00 64.21 63.20 2cui n SER 49 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2cui n THR 50 N -0.34 0.69 -3.54 2.46 -2.24 -1.26 -5.01 114.28 105.04 2cui n THR 50 Ca 0.41 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 2cui n THR 50 Cb 1.34 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 2cui n THR 50 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2cui s LEU 51 N -4.88 4.17 0.56 3.22 2.96 -1.26 -5.08 118.68 118.37 2cui s LEU 51 Ca -0.07 0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 54.29 2cui s LEU 51 Cb 0.03 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.29 2cui s LEU 51 CO 0.40 -0.07 1.03 -1.61 -1.32 0.00 0.00 176.35 174.77 2cui s GLU 52 N -3.18 3.55 0.42 1.98 2.02 -1.26 -4.95 118.70 117.28 2cui s GLU 52 Ca 0.42 1.14 -0.24 0.00 0.02 0.00 0.00 54.97 56.31 2cui s GLU 52 Cb -0.11 -2.07 -0.08 0.00 0.10 0.00 0.00 34.13 31.97 2cui s GLU 52 CO 0.27 -0.61 1.18 -1.25 0.02 0.00 0.00 175.26 174.87 2cui s PRO 53 N -4.00 3.93 0.25 0.39 0.04 -1.26 -5.02 135.00 129.32 2cui s PRO 53 Ca 0.62 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 63.29 2cui s PRO 53 Cb -0.14 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.74 2cui s PRO 53 CO 0.34 -0.43 0.78 -1.01 0.04 0.00 0.00 177.00 176.72 2cui s HIS 54 N -1.45 3.65 -1.93 0.56 3.76 -1.26 -4.94 115.29 113.68 2cui s HIS 54 Ca 0.60 1.48 0.15 0.00 -0.15 0.00 0.00 55.06 57.14 2cui s HIS 54 Cb -0.30 -2.69 0.90 0.00 1.11 0.00 0.00 32.58 31.60 2cui s HIS 54 CO 0.38 0.30 1.35 -0.35 -0.85 0.00 0.00 174.74 175.56 2cui n PRO 55 N 0.65 0.45 -4.94 8.40 -0.04 -1.26 -4.65 135.00 133.61 2cui n PRO 55 Ca -0.01 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.14 2cui n PRO 55 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2cui n PRO 55 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2cui s ARG 56 N -2.07 2.79 0.77 0.54 3.00 -1.26 -5.12 118.95 117.59 2cui s ARG 56 Ca 0.22 -0.74 -0.11 0.00 -1.00 0.00 0.00 55.73 54.10 2cui s ARG 56 Cb 0.11 -2.41 0.05 0.00 0.00 0.00 0.00 34.95 32.70 2cui s ARG 56 CO 0.19 0.44 1.09 -1.25 0.00 0.00 0.00 175.30 175.77 2cui s PRO 57 N -0.26 2.28 -0.25 5.12 0.04 -1.26 -5.04 135.00 135.64 2cui s PRO 57 Ca 0.01 1.18 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 2cui s PRO 57 Cb -0.13 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2cui s PRO 57 CO 0.03 -1.62 -0.01 -0.51 0.04 0.00 0.00 177.00 174.93 2cui s LEU 58 N -5.86 3.22 -0.14 -3.56 1.43 -1.26 -5.08 118.68 107.43 2cui s LEU 58 Ca 0.62 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 2cui s LEU 58 Cb -0.17 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 2cui s LEU 58 CO 0.55 -0.08 1.19 -0.22 0.23 0.00 0.00 176.35 178.02 2cui s LEU 59 N 1.46 4.20 0.16 1.79 0.20 -1.26 -5.03 118.68 120.21 2cui s LEU 59 Ca 0.04 1.66 0.05 0.00 0.69 0.00 0.00 54.13 56.57 2cui s LEU 59 Cb -0.15 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.02 2cui s LEU 59 CO -0.02 -0.68 0.13 -1.10 -0.29 0.00 0.00 176.35 174.40 2cui s GLN 60 N 2.99 2.89 0.15 1.98 1.11 -1.26 -5.04 119.66 122.48 2cui s GLN 60 Ca 0.53 -0.87 -0.05 0.00 0.01 0.00 0.00 55.36 54.97 2cui s GLN 60 Cb -0.21 -2.64 -0.02 0.00 -1.01 0.00 0.00 33.01 29.12 2cui s GLN 60 CO 0.15 0.48 0.18 1.03 0.01 0.00 0.00 175.29 177.15 2cui s ARG 61 N -3.10 1.06 0.04 2.91 0.52 -1.26 -5.15 118.95 113.97 2cui s ARG 61 Ca 0.31 -1.31 -0.03 0.00 -0.52 0.00 0.00 55.73 54.19 2cui s ARG 61 Cb -0.10 0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.66 2cui s ARG 61 CO 0.23 -0.35 0.02 -1.21 0.02 0.00 0.00 175.30 174.01 2cui s GLU 62 N -4.01 0.56 0.09 3.54 2.02 -1.26 -4.03 118.70 115.61 2cui s GLU 62 Ca 0.21 -0.95 0.07 0.00 0.02 0.00 0.00 54.97 54.32 2cui s GLU 62 Cb 0.05 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 2cui s GLU 62 CO 0.01 -0.12 -0.10 -1.17 0.02 0.00 0.00 175.26 173.90 2cui s LEU 63 N -2.41 3.03 -0.23 1.80 2.96 -1.03 -4.96 118.68 117.84 2cui s LEU 63 Ca -0.01 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2cui s LEU 63 Cb 0.02 -1.82 0.06 0.00 0.50 0.00 0.00 46.19 44.94 2cui s LEU 63 CO -0.07 0.19 -0.05 -0.32 -1.32 0.00 0.00 176.35 174.78 2cui s MET 64 N -2.12 1.61 -0.02 1.98 1.75 -1.26 -2.53 119.30 118.71 2cui s MET 64 Ca 0.21 -0.99 0.03 0.00 -1.25 0.00 0.00 55.69 53.69 2cui s MET 64 Cb -0.11 -2.59 -0.00 0.00 2.84 0.00 0.00 34.83 34.97 2cui s MET 64 CO 0.13 -0.60 -0.11 0.08 -0.65 0.00 0.00 175.02 173.87 2cui s VAL 65 N 1.40 0.92 0.47 10.11 1.01 -0.77 -4.95 120.40 128.57 2cui s VAL 65 Ca -0.06 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 2cui s VAL 65 Cb -0.19 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.33 2cui s VAL 65 CO -0.06 0.27 1.16 -2.16 0.00 0.00 0.00 175.10 174.31 2cui s PRO 66 N -0.03 3.72 0.31 2.72 0.04 -1.26 0.19 135.00 140.69 2cui s PRO 66 Ca 0.00 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.85 2cui s PRO 66 Cb -0.07 -2.37 0.85 0.00 0.04 0.00 0.00 34.50 32.94 2cui s PRO 66 CO 0.00 -0.58 1.59 0.78 0.04 0.00 0.00 177.00 178.83 2cui h GLY 67 N 1.97 1.44 0.39 0.56 0.00 -1.65 0.90 103.07 106.68 2cui h GLY 67 Ca -0.49 0.07 0.16 0.00 0.00 0.00 0.00 47.33 47.07 2cui h GLY 67 CO 0.60 -0.54 0.60 -0.91 0.00 0.00 0.00 176.54 176.29 2cui h THR 68 N 0.04 0.80 -3.74 4.70 1.35 -1.87 -3.38 112.91 110.82 2cui h THR 68 Ca 0.63 -0.25 -0.63 0.00 -0.55 0.00 0.00 66.41 65.61 2cui h THR 68 Cb 1.38 -0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.64 2cui h THR 68 CO -0.85 0.14 -0.52 -0.13 -0.25 0.00 0.00 175.52 173.90 2cui s ARG 69 N -5.75 3.99 -0.70 4.72 0.52 0.31 -5.01 118.95 117.02 2cui s ARG 69 Ca -0.10 -0.31 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 2cui s ARG 69 Cb 0.23 -3.58 0.28 0.00 0.52 0.00 0.00 34.95 32.40 2cui s ARG 69 CO 0.80 -0.07 0.94 0.72 0.02 0.00 0.00 175.30 177.71 2cui n HIS 70 N 4.69 3.52 -3.93 -0.53 8.25 -1.26 -4.25 115.22 121.71 2cui n HIS 70 Ca -0.15 -3.83 -0.10 0.00 -0.26 0.00 0.00 57.72 53.38 2cui n HIS 70 Cb 0.52 -0.67 -0.11 0.00 1.12 0.00 0.00 29.99 30.86 2cui n HIS 70 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2cui s SER 71 N -2.56 0.14 -0.19 0.41 0.15 -1.26 -3.27 113.70 107.12 2cui s SER 71 Ca 0.41 -0.35 -0.08 0.00 0.70 0.00 0.00 55.95 56.63 2cui s SER 71 Cb 0.17 0.15 0.08 0.00 -1.71 0.00 0.00 66.02 64.70 2cui s SER 71 CO -0.03 -0.32 0.42 0.00 1.20 0.00 0.00 173.24 174.50 2cui s ALA 72 N -1.39 -1.12 -0.16 5.45 0.00 -1.25 -4.88 121.76 118.42 2cui s ALA 72 Ca -0.15 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2cui s ALA 72 Cb -0.09 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.87 2cui s ALA 72 CO 0.00 -0.60 -0.12 0.08 0.00 0.00 0.00 175.76 175.12 2cui s VAL 73 N 2.22 1.53 -0.16 0.00 1.01 -1.26 -0.67 120.40 123.06 2cui s VAL 73 Ca -0.04 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 2cui s VAL 73 Cb -0.11 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2cui s VAL 73 CO -0.13 0.37 0.12 -0.76 0.00 0.00 0.00 175.10 174.70 2cui s LEU 74 N 1.49 4.19 0.49 3.92 2.01 -1.23 -4.98 118.68 124.58 2cui s LEU 74 Ca 0.03 0.29 0.04 0.00 0.01 0.00 0.00 54.13 54.50 2cui s LEU 74 Cb -0.14 -2.05 -0.01 0.00 0.01 0.00 0.00 46.19 44.00 2cui s LEU 74 CO -0.10 0.27 0.12 -0.13 1.01 0.00 0.00 176.35 177.53 2cui s ARG 75 N -0.22 2.19 -1.38 1.70 0.52 -1.26 -3.37 118.95 117.12 2cui s ARG 75 Ca 0.10 -2.20 -0.03 0.00 -0.52 0.00 0.00 55.73 53.09 2cui s ARG 75 Cb -0.12 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.61 2cui s ARG 75 CO 0.01 -0.35 0.39 -0.25 0.02 0.00 0.00 175.30 175.12 2cui n ASP 76 N -1.34 -5.42 -4.64 0.23 8.00 -1.22 -4.98 116.55 107.17 2cui n ASP 76 Ca -0.11 -0.19 -0.25 0.00 0.71 0.00 0.00 54.79 54.96 2cui n ASP 76 Cb 0.66 -4.31 0.11 0.00 -0.02 0.00 0.00 41.12 37.55 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 -5.61 2.93 0.00 0.64 1.43 -0.20 -5.07 118.68 112.79 2cui s LEU 77 Ca 0.19 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2cui s LEU 77 Cb -0.09 -2.33 0.10 0.00 0.03 0.00 0.00 46.19 43.91 2cui s LEU 77 CO 0.24 -1.92 0.74 0.54 0.23 0.00 0.00 176.35 176.18 2cui n ARG 78 N -2.99 0.16 -3.71 1.70 1.74 -1.26 -4.67 116.66 107.63 2cui n ARG 78 Ca 0.13 -2.11 -0.36 0.00 -0.77 0.00 0.00 57.85 54.74 2cui n ARG 78 Cb 0.60 -0.46 -0.07 0.00 -1.02 0.00 0.00 32.46 31.51 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 -4.04 6.35 -1.42 0.55 1.04 -1.26 -4.29 113.70 110.62 2cui s SER 79 Ca 0.50 0.40 -0.07 0.00 0.48 0.00 0.00 55.95 57.26 2cui s SER 79 Cb -0.03 -2.11 0.01 0.00 0.10 0.00 0.00 66.02 63.98 2cui s SER 79 CO 0.33 0.23 0.31 0.61 0.98 0.00 0.00 173.24 175.70 2cui n GLY 80 N 2.97 -0.34 3.17 7.32 0.00 -1.17 -4.84 105.19 112.30 2cui n GLY 80 Ca -0.16 0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.04 1.47 -0.21 2.61 2.01 -1.26 -4.89 115.64 111.32 2cui s THR 81 Ca 0.12 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 61.09 2cui s THR 81 Cb -0.06 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 2cui s THR 81 CO 0.95 0.42 0.88 -0.22 -0.69 0.00 0.00 174.62 175.95 2cui s LEU 82 N -0.28 4.12 0.01 4.42 1.98 -1.26 -2.74 118.68 124.93 2cui s LEU 82 Ca 0.03 1.16 0.03 0.00 -2.89 0.00 0.00 54.13 52.46 2cui s LEU 82 Cb -0.09 -3.28 -0.04 0.00 0.66 0.00 0.00 46.19 43.44 2cui s LEU 82 CO 0.00 -0.51 -0.02 -0.31 -1.89 0.00 0.00 176.35 173.62 2cui s TYR 83 N 2.67 3.00 -0.51 5.38 1.51 -1.07 -4.66 117.35 123.67 2cui s TYR 83 Ca 0.38 0.02 -0.16 0.00 -1.01 0.00 0.00 57.07 56.30 2cui s TYR 83 Cb -0.16 -1.63 0.09 0.00 -0.11 0.00 0.00 41.96 40.16 2cui s TYR 83 CO 0.09 0.44 0.48 0.45 -1.11 0.00 0.00 175.55 175.89 2cui s SER 84 N -1.63 6.17 -0.10 2.29 0.15 -1.14 -3.56 113.70 115.89 2cui s SER 84 Ca 0.20 -1.46 -0.05 0.00 0.70 0.00 0.00 55.95 55.33 2cui s SER 84 Cb -0.11 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 2cui s SER 84 CO 0.10 -0.78 0.12 -0.76 1.20 0.00 0.00 173.24 173.13 2cui s LEU 85 N 1.80 4.25 -0.20 3.45 1.43 -0.84 -2.48 118.68 126.09 2cui s LEU 85 Ca 0.05 0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2cui s LEU 85 Cb -0.26 -2.11 0.10 0.00 0.03 0.00 0.00 46.19 43.95 2cui s LEU 85 CO 0.06 0.38 0.30 -0.89 0.23 0.00 0.00 176.35 176.43 2cui s THR 86 N -1.05 -0.46 0.40 5.49 2.01 -0.55 -0.18 115.64 121.30 2cui s THR 86 Ca 0.17 -0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 2cui s THR 86 Cb -0.12 -0.68 -0.06 0.00 0.01 0.00 0.00 72.50 71.65 2cui s THR 86 CO 0.06 -0.09 0.77 -0.22 -0.69 0.00 0.00 174.62 174.44 2cui s LEU 87 N 2.44 3.84 -0.22 4.42 2.96 -0.54 -1.11 118.68 130.47 2cui s LEU 87 Ca 0.07 1.13 -0.01 0.00 -0.22 0.00 0.00 54.13 55.10 2cui s LEU 87 Cb -0.15 -4.01 0.06 0.00 0.50 0.00 0.00 46.19 42.60 2cui s LEU 87 CO -0.13 -0.39 0.01 -0.31 -1.32 0.00 0.00 176.35 174.21 2cui s TYR 88 N -2.36 1.55 -1.15 5.38 2.02 -0.20 -1.62 117.35 120.97 2cui s TYR 88 Ca 0.51 -1.24 -0.22 0.00 -0.37 0.00 0.00 57.07 55.76 2cui s TYR 88 Cb -0.10 -1.28 -0.07 0.00 -0.40 0.00 0.00 41.96 40.11 2cui s TYR 88 CO 0.31 -0.69 1.91 0.41 -1.57 0.00 0.00 175.55 175.92 2cui n GLY 89 N 4.90 1.56 3.61 0.71 0.00 -0.62 -2.19 105.19 113.17 2cui n GLY 89 Ca -0.09 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 2cui n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cui s LEU 90 N 8.36 3.67 -0.07 0.99 2.01 -0.79 -2.39 118.68 130.46 2cui s LEU 90 Ca 0.64 1.97 0.16 0.00 0.01 0.00 0.00 54.13 56.91 2cui s LEU 90 Cb 0.03 -3.52 0.57 0.00 0.01 0.00 0.00 46.19 43.28 2cui s LEU 90 CO 0.12 -1.72 1.46 -1.14 1.01 0.00 0.00 176.35 176.07 2cui n ARG 91 N 8.43 2.98 0.00 1.70 0.63 -1.22 0.08 116.66 129.27 2cui n ARG 91 Ca 0.27 -2.26 0.00 0.00 -0.92 0.00 0.00 57.85 54.94 2cui n ARG 91 Cb 0.44 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.66 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 1.11 -0.23 0.20 5.14 0.00 -1.26 -4.64 105.19 105.50 2cui n GLY 92 Ca 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 0.38 -5.75 1.61 0.13 -2.02 -3.45 132.00 122.90 2cui h PRO 93 Ca 0.00 -0.20 -0.49 0.00 -0.87 0.00 0.00 66.00 64.44 2cui h PRO 93 Cb 0.00 0.01 -0.16 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 -4.11 1.80 0.23 1.56 3.76 -1.26 -5.12 115.29 112.15 2cui s HIS 94 Ca -0.06 -0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 54.04 2cui s HIS 94 Cb 0.13 -0.85 -0.09 0.00 1.11 0.00 0.00 32.58 32.88 2cui s HIS 94 CO 0.80 0.38 1.21 -1.59 -0.85 0.00 0.00 174.74 174.69 2cui s LYS 95 N -3.32 4.49 -0.16 1.40 -2.85 -1.26 -3.37 119.74 114.67 2cui s LYS 95 Ca 0.21 1.95 -0.12 0.00 -1.00 0.00 0.00 55.97 57.00 2cui s LYS 95 Cb -0.03 -3.19 -0.05 0.00 -2.06 0.00 0.00 37.83 32.50 2cui s LYS 95 CO 0.07 -0.06 -0.17 0.00 0.10 0.00 0.00 175.35 175.29 2cui n ALA 96 N 1.93 0.57 -2.67 0.59 0.00 -1.00 -4.88 120.51 115.04 2cui n ALA 96 Ca 0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 53.44 52.66 2cui n ALA 96 Cb 0.44 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 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 -5.92 3.87 -0.30 0.00 -4.77 -1.24 -4.98 116.67 103.34 2cui s ASP 97 Ca -0.19 -1.51 -0.11 0.00 -3.30 0.00 0.00 52.55 47.44 2cui s ASP 97 Cb 0.03 0.07 0.12 0.00 -1.09 0.00 0.00 42.92 42.05 2cui s ASP 97 CO 0.30 -0.66 0.66 -0.94 0.70 0.00 0.00 175.17 175.23 2cui s SER 98 N -3.77 -1.11 0.13 2.11 1.04 -1.26 -1.58 113.70 109.26 2cui s SER 98 Ca 0.21 1.57 0.05 0.00 0.48 0.00 0.00 55.95 58.26 2cui s SER 98 Cb 0.06 2.13 -0.04 0.00 0.10 0.00 0.00 66.02 68.27 2cui s SER 98 CO 0.11 -0.22 0.06 -0.51 0.98 0.00 0.00 173.24 173.66 2cui s ILE 99 N 2.66 4.24 -0.25 -1.02 2.07 -0.64 -4.95 121.20 123.31 2cui s ILE 99 Ca -0.07 -1.04 -0.03 0.00 -1.41 0.00 0.00 60.65 58.10 2cui s ILE 99 Cb -0.11 -3.10 0.02 0.00 0.13 0.00 0.00 42.46 39.41 2cui s ILE 99 CO -0.19 0.00 -0.03 -1.10 -1.91 0.00 0.00 174.94 171.71 2cui s GLN 100 N -2.70 2.94 -0.17 3.50 -0.21 -1.26 -1.47 119.66 120.28 2cui s GLN 100 Ca 0.29 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 54.76 2cui s GLN 100 Cb -0.11 -3.06 0.02 0.00 1.00 0.00 0.00 33.01 30.86 2cui s GLN 100 CO 0.21 -0.39 -0.18 0.20 -2.12 0.00 0.00 175.29 173.01 2cui s GLY 101 N 1.37 1.31 -0.03 3.09 0.00 0.75 -4.87 107.32 108.94 2cui s GLY 101 Ca 0.01 -1.12 -0.01 0.00 0.00 0.00 0.00 44.72 43.60 2cui s GLY 101 CO -0.03 0.36 0.06 -0.51 0.00 0.00 0.00 173.10 172.99 2cui s THR 102 N 1.35 4.66 -0.15 0.90 -4.23 -1.26 -1.98 115.64 114.94 2cui s THR 102 Ca 0.05 -0.34 -0.18 0.00 -1.18 0.00 0.00 61.69 60.03 2cui s THR 102 Cb -0.13 -3.09 0.05 0.00 1.34 0.00 0.00 72.50 70.67 2cui s THR 102 CO -0.12 0.42 0.49 0.00 -0.54 0.00 0.00 174.62 174.87 2cui s ALA 103 N -1.11 -1.22 -0.26 3.99 0.00 -1.23 -4.82 121.76 117.11 2cui s ALA 103 Ca 0.20 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.32 2cui s ALA 103 Cb -0.12 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 2cui s ALA 103 CO 0.10 -0.25 0.06 0.50 0.00 0.00 0.00 175.76 176.17 2cui s ARG 104 N -0.13 3.51 1.18 0.00 3.52 -1.26 -2.60 118.95 123.17 2cui s ARG 104 Ca -0.03 -0.57 -0.14 0.00 -0.13 0.00 0.00 55.73 54.86 2cui s ARG 104 Cb -0.03 -3.31 0.28 0.00 -1.56 0.00 0.00 34.95 30.33 2cui s ARG 104 CO 0.02 -0.24 1.03 0.95 -0.81 0.00 0.00 175.30 176.25 2cui s THR 105 N 1.58 1.90 0.05 4.11 -4.23 -1.11 -4.90 115.64 113.05 2cui s THR 105 Ca 0.06 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.50 2cui s THR 105 Cb -0.15 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.48 2cui s THR 105 CO 0.03 0.00 0.31 -0.76 -0.54 0.00 0.00 174.62 173.66 2cui s LEU 106 N -7.17 4.34 0.20 4.79 1.43 -1.19 -3.64 118.68 117.44 2cui s LEU 106 Ca 0.68 0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 54.31 2cui s LEU 106 Cb -0.22 -2.89 0.14 0.00 0.03 0.00 0.00 46.19 43.25 2cui s LEU 106 CO 0.63 0.19 1.60 -1.28 0.23 0.00 0.00 176.35 177.71 2cui h SER 107 N 3.61 0.82 -3.69 2.29 0.87 -1.88 -3.11 113.55 112.46 2cui h SER 107 Ca -0.49 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.76 2cui h SER 107 Cb 1.19 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2cui h SER 107 CO 0.68 1.04 0.00 0.61 -0.53 0.00 0.00 176.83 178.63 2cui n GLY 108 N -0.15 -1.20 0.06 5.77 0.00 -1.26 -4.74 105.19 103.67 2cui n GLY 108 Ca -0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 0.03 -7.22 1.61 0.13 -2.03 -3.45 132.00 121.07 2cui h PRO 109 Ca 0.00 -0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.62 2cui h PRO 109 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 2cui h PRO 109 CO 0.00 0.51 0.35 0.45 -0.23 0.00 0.00 178.00 179.08 2cui s SER 110 N -5.73 6.38 -0.28 1.44 0.15 -1.26 -5.08 113.70 109.31 2cui s SER 110 Ca -0.16 1.40 -0.18 0.00 0.70 0.00 0.00 55.95 57.71 2cui s SER 110 Cb 0.02 -2.45 0.12 0.00 -1.71 0.00 0.00 66.02 61.99 2cui s SER 110 CO 0.68 -0.71 0.87 -0.55 1.20 0.00 0.00 173.24 174.73 2cui s SER 111 N -3.73 -0.66 0.00 5.45 0.15 -1.26 -5.12 113.70 108.52 2cui s SER 111 Ca 0.55 1.10 0.00 0.00 0.70 0.00 0.00 55.95 58.30 2cui s SER 111 Cb -0.11 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 2cui s SER 111 CO 0.44 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.31