#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 3.71 -0.20 1.61 0.01 -1.26 -5.06 113.70 112.51 2cui s SER 2 Ca 0.00 -0.35 -0.42 0.00 1.31 0.00 0.00 55.95 56.49 2cui s SER 2 Cb 0.00 -1.15 -0.19 0.00 0.21 0.00 0.00 66.02 64.89 2cui s SER 2 CO 0.00 0.24 1.35 -1.54 0.41 0.00 0.00 173.24 173.70 2cui n SER 3 N 2.97 0.79 0.00 2.44 3.41 -1.26 -4.94 113.62 117.03 2cui n SER 3 Ca -0.18 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 2cui n SER 3 Cb 0.52 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2cui n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cui n GLY 4 N 2.75 1.33 1.08 5.00 0.00 -1.26 -5.10 105.19 108.99 2cui n GLY 4 Ca 0.24 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.67 -4.27 1.61 2.88 -1.26 -5.00 113.62 108.24 2cui n SER 5 Ca 0.00 0.10 -0.38 0.00 -1.33 0.00 0.00 58.87 57.26 2cui n SER 5 Cb 0.00 -0.19 -0.12 0.00 -0.75 0.00 0.00 64.21 63.15 2cui n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cui s SER 6 N -5.60 5.42 -0.58 -3.46 0.15 -1.26 -5.00 113.70 103.37 2cui s SER 6 Ca 0.00 -1.25 0.06 0.00 0.70 0.00 0.00 55.95 55.47 2cui s SER 6 Cb 0.00 -1.91 0.28 0.00 -1.71 0.00 0.00 66.02 62.68 2cui s SER 6 CO 0.00 -0.39 0.78 0.61 1.20 0.00 0.00 173.24 175.44 2cui n GLY 7 N 4.84 4.77 3.89 9.45 0.00 -1.26 -5.08 105.19 121.80 2cui n GLY 7 Ca -0.11 -2.59 -0.21 0.00 0.00 0.00 0.00 46.02 43.10 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 -2.62 5.68 -0.45 1.61 0.15 -1.26 -5.09 113.70 111.72 2cui s SER 8 Ca 0.42 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.85 2cui s SER 8 Cb 0.20 -1.32 0.12 0.00 -1.71 0.00 0.00 66.02 63.31 2cui s SER 8 CO -0.06 -0.22 0.19 0.00 1.20 0.00 0.00 173.24 174.36 2cui s ARG 9 N -3.98 1.64 -0.18 5.44 1.70 -1.26 -5.09 118.95 117.23 2cui s ARG 9 Ca 0.38 -2.22 -0.29 0.00 -0.47 0.00 0.00 55.73 53.12 2cui s ARG 9 Cb -0.08 -3.01 -0.03 0.00 -0.57 0.00 0.00 34.95 31.26 2cui s ARG 9 CO 0.27 -1.07 1.58 -1.25 -1.08 0.00 0.00 175.30 173.75 2cui s PRO 10 N 0.24 3.92 0.20 3.89 0.04 -1.26 -5.01 135.00 137.04 2cui s PRO 10 Ca 0.15 1.77 0.09 0.00 0.04 0.00 0.00 61.00 63.04 2cui s PRO 10 Cb -0.23 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.27 2cui s PRO 10 CO -0.04 -1.13 -0.16 1.03 0.04 0.00 0.00 177.00 176.74 2cui s ARG 11 N 4.41 1.37 0.62 4.56 1.81 -1.26 -4.80 118.95 125.65 2cui s ARG 11 Ca 0.70 -1.56 -0.11 0.00 -1.72 0.00 0.00 55.73 53.03 2cui s ARG 11 Cb -0.26 -1.28 -0.04 0.00 -0.45 0.00 0.00 34.95 32.92 2cui s ARG 11 CO 0.28 0.23 1.03 -0.51 -0.68 0.00 0.00 175.30 175.65 2cui s LEU 12 N -3.15 3.24 0.00 2.53 1.43 -1.26 -4.71 118.68 116.75 2cui s LEU 12 Ca 0.22 1.45 0.06 0.00 -1.03 0.00 0.00 54.13 54.82 2cui s LEU 12 Cb -0.03 -4.47 0.06 0.00 0.03 0.00 0.00 46.19 41.78 2cui s LEU 12 CO 0.08 -0.92 0.49 -0.24 0.23 0.00 0.00 176.35 175.99 2cui n SER 13 N -2.73 1.30 -4.54 2.29 2.88 -0.76 -4.99 113.62 107.07 2cui n SER 13 Ca 0.06 -1.94 -0.46 0.00 -1.33 0.00 0.00 58.87 55.20 2cui n SER 13 Cb 0.54 -0.26 -0.05 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.77 1.65 -2.89 -1.46 10.64 -1.26 -4.66 117.38 117.64 2cui n GLN 14 Ca 0.10 0.46 -0.43 0.00 -1.83 0.00 0.00 57.00 55.30 2cui n GLN 14 Cb 0.37 -2.93 -0.04 0.00 -0.86 0.00 0.00 30.24 26.77 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 7.78 4.30 0.33 2.61 2.96 -1.26 -4.61 118.68 130.79 2cui s LEU 15 Ca 1.04 -0.61 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 2cui s LEU 15 Cb -0.54 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 2cui s LEU 15 CO 0.41 -1.24 0.21 -0.44 -1.32 0.00 0.00 176.35 173.97 2cui s SER 16 N 3.06 5.01 -0.15 3.68 0.01 -1.20 -4.62 113.70 119.49 2cui s SER 16 Ca 0.26 -0.61 -0.00 0.00 1.31 0.00 0.00 55.95 56.91 2cui s SER 16 Cb -0.15 -0.88 -0.01 0.00 0.21 0.00 0.00 66.02 65.19 2cui s SER 16 CO 0.16 -0.30 -0.14 -0.69 0.41 0.00 0.00 173.24 172.68 2cui s VAL 17 N -2.35 2.81 0.40 3.43 1.01 -1.26 -2.32 120.40 122.12 2cui s VAL 17 Ca 0.39 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.71 2cui s VAL 17 Cb -0.04 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 2cui s VAL 17 CO 0.24 0.51 0.00 0.42 0.00 0.00 0.00 175.10 176.28 2cui s THR 18 N 0.73 2.00 -1.50 3.92 -4.23 0.70 -4.73 115.64 112.53 2cui s THR 18 Ca -0.06 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.30 2cui s THR 18 Cb -0.15 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 70.82 2cui s THR 18 CO 0.01 -0.01 0.73 0.47 -0.54 0.00 0.00 174.62 175.29 2cui n ASP 19 N -0.95 -4.01 -4.45 3.99 9.92 -1.26 -1.60 116.55 118.19 2cui n ASP 19 Ca -0.05 -0.69 -0.46 0.00 -0.53 0.00 0.00 54.79 53.06 2cui n ASP 19 Cb 0.67 -3.26 -0.09 0.00 -0.64 0.00 0.00 41.12 37.80 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 -4.31 0.06 -2.26 2.53 0.31 -1.26 -4.37 118.33 109.02 2cui n VAL 20 Ca 0.03 -0.26 -0.28 0.00 -0.01 0.00 0.00 64.34 63.82 2cui n VAL 20 Cb 0.52 -1.41 0.02 0.00 -0.91 0.00 0.00 33.84 32.07 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 8.58 4.23 0.21 2.52 2.01 0.65 -4.61 115.64 129.23 2cui s THR 21 Ca 1.16 0.34 -0.09 0.00 0.31 0.00 0.00 61.69 63.41 2cui s THR 21 Cb -0.92 -3.67 0.16 0.00 0.01 0.00 0.00 72.50 68.08 2cui s THR 21 CO 0.47 -0.76 1.73 0.71 -0.69 0.00 0.00 174.62 176.08 2cui h THR 22 N -0.17 0.73 0.00 -0.82 1.35 -1.91 -2.95 112.91 109.14 2cui h THR 22 Ca -0.45 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2cui h THR 22 Cb 1.23 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2cui h THR 22 CO 0.62 0.07 -0.10 -1.54 -0.25 0.00 0.00 175.52 174.32 2cui n SER 23 N -5.02 1.60 -2.64 5.36 3.41 -1.26 -3.49 113.62 111.57 2cui n SER 23 Ca 0.09 -2.43 -0.10 0.00 -0.26 0.00 0.00 58.87 56.17 2cui n SER 23 Cb 0.30 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2cui n SER 23 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cui n SER 24 N -0.81 -1.68 -3.37 4.04 3.41 -1.15 -1.20 113.62 112.86 2cui n SER 24 Ca 0.08 -2.51 -0.00 0.00 -0.26 0.00 0.00 58.87 56.17 2cui n SER 24 Cb 0.55 2.90 0.02 0.00 -0.26 0.00 0.00 64.21 67.42 2cui n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cui n LEU 25 N 0.00 0.00 -4.10 1.04 -0.00 -1.23 0.24 117.00 112.95 2cui n LEU 25 Ca -0.04 -0.90 -0.16 0.00 -0.00 0.00 0.00 56.01 54.91 2cui n LEU 25 Cb 0.52 2.19 -0.12 0.00 -0.00 0.00 0.00 43.42 46.01 2cui n LEU 25 CO 0.25 -0.30 -0.43 -0.60 -0.00 0.00 0.00 177.39 176.31 2cui s ARG 26 N -2.03 0.69 0.29 1.47 3.52 -0.62 -3.14 118.95 119.13 2cui s ARG 26 Ca 0.24 -0.75 0.10 0.00 -0.13 0.00 0.00 55.73 55.20 2cui s ARG 26 Cb -0.02 -0.61 -0.05 0.00 -1.56 0.00 0.00 34.95 32.72 2cui s ARG 26 CO 0.02 0.14 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.07 2cui s LEU 27 N -1.35 2.91 -0.24 -0.88 1.43 0.32 -0.22 118.68 120.66 2cui s LEU 27 Ca -0.04 -0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 52.10 2cui s LEU 27 Cb -0.09 -1.38 0.11 0.00 0.03 0.00 0.00 46.19 44.87 2cui s LEU 27 CO 0.01 -0.06 0.50 0.20 0.23 0.00 0.00 176.35 177.23 2cui s ASN 28 N -3.63 -0.56 0.03 2.29 0.01 -0.98 -3.66 114.94 108.44 2cui s ASN 28 Ca 0.32 1.13 0.03 0.00 -0.71 0.00 0.00 52.86 53.63 2cui s ASN 28 Cb -0.04 1.68 -0.02 0.00 0.41 0.00 0.00 41.25 43.28 2cui s ASN 28 CO 0.18 -0.23 -0.11 -1.66 -1.51 0.00 0.00 177.10 173.77 2cui s TRP 29 N 2.71 0.92 -0.16 2.20 -2.14 -1.22 -3.21 118.94 118.05 2cui s TRP 29 Ca -0.01 -0.35 -0.11 0.00 2.66 0.00 0.00 56.10 58.28 2cui s TRP 29 Cb -0.12 -0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 29.65 2cui s TRP 29 CO -0.15 -0.01 0.21 -2.00 -2.66 0.00 0.00 176.95 172.34 2cui s GLU 30 N -1.12 4.10 -0.04 3.25 2.56 -1.26 -4.69 118.70 121.50 2cui s GLU 30 Ca -0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 54.97 54.80 2cui s GLU 30 Cb -0.08 -3.38 0.01 0.00 2.00 0.00 0.00 34.13 32.69 2cui s GLU 30 CO 0.01 0.36 0.21 0.00 -0.56 0.00 0.00 175.26 175.28 2cui s ALA 31 N 0.14 -0.52 1.02 6.30 0.00 -1.26 -1.82 121.76 125.61 2cui s ALA 31 Ca 0.13 0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.25 2cui s ALA 31 Cb -0.12 -0.10 0.20 0.00 0.00 0.00 0.00 23.12 23.10 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 -0.75 0.28 0.66 0.00 0.04 -1.26 -5.01 135.00 128.96 2cui s PRO 32 Ca -0.08 0.47 -0.15 0.00 0.04 0.00 0.00 61.00 61.28 2cui s PRO 32 Cb -0.05 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2cui s PRO 32 CO 0.02 -2.82 1.11 -1.25 0.04 0.00 0.00 177.00 174.09 2cui s PRO 33 N -4.97 2.80 -0.89 0.56 0.04 -1.26 -3.39 135.00 127.89 2cui s PRO 33 Ca 0.66 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 2cui s PRO 33 Cb -0.19 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.52 2cui s PRO 33 CO 0.58 -1.25 0.28 0.41 0.04 0.00 0.00 177.00 177.06 2cui n GLY 34 N -0.53 -0.39 0.06 0.56 0.00 -1.26 -4.77 105.19 98.86 2cui n GLY 34 Ca 0.10 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 1.07 0.00 -3.47 4.61 0.00 -1.95 -3.47 119.26 116.04 2cui h ALA 35 Ca -0.28 -0.30 -0.37 0.00 0.00 0.00 0.00 54.91 53.95 2cui h ALA 35 Cb 1.06 0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.63 2cui h ALA 35 CO 0.43 0.01 -0.77 -0.06 0.00 0.00 0.00 179.25 178.86 2cui s PHE 36 N -1.95 1.00 0.24 0.00 0.08 -1.26 -4.81 117.98 111.28 2cui s PHE 36 Ca -0.11 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.47 2cui s PHE 36 Cb -0.02 -0.58 0.25 0.00 -0.57 0.00 0.00 43.02 42.10 2cui s PHE 36 CO 0.40 0.00 1.77 -0.44 -0.10 0.00 0.00 175.22 176.86 2cui h ASP 37 N 4.67 0.95 -5.05 1.36 5.19 0.83 -3.32 116.42 121.05 2cui h ASP 37 Ca -0.38 -0.18 0.01 0.00 -0.62 0.00 0.00 57.03 55.86 2cui h ASP 37 Cb 1.19 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 2cui h ASP 37 CO 0.42 0.91 0.30 -0.94 -3.12 0.00 0.00 179.24 176.81 2cui s SER 38 N -6.50 -0.03 -0.10 6.45 1.04 -0.46 -3.72 113.70 110.39 2cui s SER 38 Ca -0.11 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.30 2cui s SER 38 Cb 0.15 0.80 0.02 0.00 0.10 0.00 0.00 66.02 67.09 2cui s SER 38 CO 0.83 -1.58 -0.12 -0.36 0.98 0.00 0.00 173.24 172.99 2cui s PHE 39 N -2.48 1.66 -0.37 5.02 0.08 0.35 -1.23 117.98 121.02 2cui s PHE 39 Ca 0.16 -0.76 -0.05 0.00 0.12 0.00 0.00 56.93 56.40 2cui s PHE 39 Cb -0.05 -1.26 0.07 0.00 -0.57 0.00 0.00 43.02 41.22 2cui s PHE 39 CO 0.10 -0.44 0.15 -1.17 -0.10 0.00 0.00 175.22 173.76 2cui s LEU 40 N 1.14 4.71 -0.20 -0.37 2.96 -0.92 -2.37 118.68 123.64 2cui s LEU 40 Ca -0.05 -1.55 -0.16 0.00 -0.22 0.00 0.00 54.13 52.15 2cui s LEU 40 Cb -0.14 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2cui s LEU 40 CO -0.03 -0.43 0.42 -0.22 -1.32 0.00 0.00 176.35 174.77 2cui s LEU 41 N 1.28 4.16 -0.23 -0.68 2.96 -1.16 -1.26 118.68 123.75 2cui s LEU 41 Ca 0.02 0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 2cui s LEU 41 Cb -0.21 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 43.94 2cui s LEU 41 CO -0.01 -0.09 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.74 2cui s ARG 42 N 1.32 3.05 -0.23 1.98 0.52 0.51 -2.11 118.95 123.99 2cui s ARG 42 Ca 0.20 -0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 54.55 2cui s ARG 42 Cb -0.15 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.38 2cui s ARG 42 CO 0.08 -0.31 -0.05 -0.59 0.02 0.00 0.00 175.30 174.46 2cui s PHE 43 N 1.38 2.98 0.24 -0.53 -0.71 -1.24 -2.04 117.98 118.06 2cui s PHE 43 Ca 0.03 -1.16 0.06 0.00 -1.04 0.00 0.00 56.93 54.82 2cui s PHE 43 Cb -0.15 -2.09 -0.05 0.00 -1.21 0.00 0.00 43.02 39.52 2cui s PHE 43 CO -0.05 -0.62 -0.08 0.20 -1.34 0.00 0.00 175.22 173.33 2cui s GLY 44 N 1.42 1.60 -0.46 1.99 0.00 -1.13 -4.40 107.32 106.34 2cui s GLY 44 Ca 0.04 -1.77 -0.25 0.00 0.00 0.00 0.00 44.72 42.73 2cui s GLY 44 CO -0.04 -1.77 0.92 0.14 0.00 0.00 0.00 173.10 172.35 2cui s VAL 45 N -3.08 4.48 -0.41 1.40 1.01 -1.26 -3.25 120.40 119.28 2cui s VAL 45 Ca 0.26 0.73 -0.28 0.00 0.00 0.00 0.00 61.98 62.69 2cui s VAL 45 Cb 0.02 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 2cui s VAL 45 CO 0.09 -0.83 1.74 -2.16 0.00 0.00 0.00 175.10 173.94 2cui s PRO 46 N 3.74 3.22 -0.16 2.72 0.04 -1.26 -4.99 135.00 138.31 2cui s PRO 46 Ca 0.37 1.15 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 2cui s PRO 46 Cb -0.10 -4.21 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 2cui s PRO 46 CO 0.26 -2.00 0.25 -1.54 0.04 0.00 0.00 177.00 174.01 2cui s SER 47 N 6.13 6.38 0.92 6.66 1.04 -1.26 -5.08 113.70 128.48 2cui s SER 47 Ca 0.73 0.45 -0.12 0.00 0.48 0.00 0.00 55.95 57.49 2cui s SER 47 Cb -0.19 -2.16 0.14 0.00 0.10 0.00 0.00 66.02 63.92 2cui s SER 47 CO 0.31 0.14 1.09 -2.16 0.98 0.00 0.00 173.24 173.60 2cui s PRO 48 N 0.34 1.08 -0.22 4.02 0.04 -1.26 -4.97 135.00 134.03 2cui s PRO 48 Ca 0.14 0.76 0.15 0.00 0.04 0.00 0.00 61.00 62.09 2cui s PRO 48 Cb -0.12 -1.79 0.75 0.00 0.04 0.00 0.00 34.50 33.37 2cui s PRO 48 CO 0.03 -2.35 1.67 -1.13 0.04 0.00 0.00 177.00 175.26 2cui n SER 49 N -3.95 5.28 -0.02 6.66 3.41 -1.26 -4.24 113.62 119.50 2cui n SER 49 Ca 0.07 -2.96 -0.01 0.00 -0.26 0.00 0.00 58.87 55.71 2cui n SER 49 Cb 0.56 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 2cui n SER 49 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2cui n THR 50 N 0.33 0.25 -3.87 6.66 -2.24 -1.26 -5.03 114.28 109.12 2cui n THR 50 Ca 0.26 -0.21 -0.26 0.00 -2.27 0.00 0.00 64.05 61.57 2cui n THR 50 Cb 1.12 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 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 -4.06 4.31 0.33 3.22 2.96 -1.26 -5.09 118.68 119.09 2cui s LEU 51 Ca -0.03 0.24 -0.26 0.00 -0.22 0.00 0.00 54.13 53.86 2cui s LEU 51 Cb 0.03 -2.98 -0.10 0.00 0.50 0.00 0.00 46.19 43.64 2cui s LEU 51 CO 0.24 0.03 0.98 -1.61 -1.32 0.00 0.00 176.35 174.67 2cui s GLU 52 N -3.26 4.52 0.43 1.98 8.01 -1.26 -4.91 118.70 124.22 2cui s GLU 52 Ca 0.36 1.43 -0.24 0.00 0.01 0.00 0.00 54.97 56.53 2cui s GLU 52 Cb -0.11 -2.82 -0.08 0.00 -4.31 0.00 0.00 34.13 26.81 2cui s GLU 52 CO 0.29 0.20 1.18 -1.25 0.01 0.00 0.00 175.26 175.68 2cui s PRO 53 N -2.01 3.89 -0.08 0.39 0.04 -1.26 -5.04 135.00 130.93 2cui s PRO 53 Ca 0.50 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 63.32 2cui s PRO 53 Cb -0.21 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 2cui s PRO 53 CO 0.27 -0.45 0.12 -1.01 0.04 0.00 0.00 177.00 175.97 2cui s HIS 54 N -1.47 3.50 -2.00 0.56 3.76 -1.26 -4.98 115.29 113.41 2cui s HIS 54 Ca 0.60 0.43 0.11 0.00 -0.15 0.00 0.00 55.06 56.05 2cui s HIS 54 Cb -0.30 -1.88 0.64 0.00 1.11 0.00 0.00 32.58 32.15 2cui s HIS 54 CO 0.37 0.67 1.08 -0.35 -0.85 0.00 0.00 174.74 175.66 2cui n PRO 55 N 1.74 0.49 -2.20 8.40 -0.04 -1.26 -4.80 135.00 137.33 2cui n PRO 55 Ca -0.17 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.88 2cui n PRO 55 Cb 0.54 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 2cui n PRO 55 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2cui s ARG 56 N -2.00 4.41 0.14 0.54 1.70 -1.26 -4.97 118.95 117.51 2cui s ARG 56 Ca 0.16 2.11 -0.31 0.00 -0.47 0.00 0.00 55.73 57.22 2cui s ARG 56 Cb 0.07 -3.12 -0.08 0.00 -0.57 0.00 0.00 34.95 31.25 2cui s ARG 56 CO 0.12 -0.14 1.34 -1.25 -1.08 0.00 0.00 175.30 174.30 2cui s PRO 57 N -1.28 4.36 -0.34 3.89 0.04 -1.26 -5.01 135.00 135.39 2cui s PRO 57 Ca 0.50 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.60 2cui s PRO 57 Cb -0.38 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 31.01 2cui s PRO 57 CO 0.47 -0.35 0.05 -0.48 0.04 0.00 0.00 177.00 176.73 2cui s LEU 58 N 0.65 4.52 -0.12 -3.56 2.34 -1.26 -5.09 118.68 116.16 2cui s LEU 58 Ca 0.61 -1.87 -0.21 0.00 0.06 0.00 0.00 54.13 52.72 2cui s LEU 58 Cb -0.36 -1.67 -0.04 0.00 -0.56 0.00 0.00 46.19 43.56 2cui s LEU 58 CO 0.33 -0.37 0.61 -0.22 -1.06 0.00 0.00 176.35 175.65 2cui s LEU 59 N 1.04 4.26 0.20 1.48 2.96 -1.26 -5.07 118.68 122.30 2cui s LEU 59 Ca 0.04 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 54.96 2cui s LEU 59 Cb -0.20 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.54 2cui s LEU 59 CO -0.06 -0.12 0.35 0.00 -1.32 0.00 0.00 176.35 175.20 2cui s GLN 60 N 1.03 3.46 0.32 1.98 0.00 -1.26 -5.05 119.66 120.14 2cui s GLN 60 Ca 0.32 -0.57 -0.01 0.00 -0.00 0.00 0.00 55.36 55.10 2cui s GLN 60 Cb -0.16 -2.89 -0.01 0.00 0.00 0.00 0.00 33.01 29.95 2cui s GLN 60 CO 0.14 0.44 0.39 1.03 0.00 0.00 0.00 175.29 177.29 2cui s ARG 61 N -3.57 1.77 0.10 9.60 0.52 -1.26 -5.12 118.95 121.00 2cui s ARG 61 Ca 0.36 -1.77 -0.23 0.00 -0.52 0.00 0.00 55.73 53.56 2cui s ARG 61 Cb -0.10 0.40 0.06 0.00 0.52 0.00 0.00 34.95 35.83 2cui s ARG 61 CO 0.29 -0.71 0.58 -1.83 0.02 0.00 0.00 175.30 173.65 2cui s GLU 62 N -3.33 1.17 0.17 3.54 1.03 -1.26 -3.72 118.70 116.31 2cui s GLU 62 Ca 0.33 -0.33 0.06 0.00 0.03 0.00 0.00 54.97 55.06 2cui s GLU 62 Cb 0.01 0.54 -0.04 0.00 -0.80 0.00 0.00 34.13 33.84 2cui s GLU 62 CO 0.20 -0.47 0.09 -1.17 -1.33 0.00 0.00 175.26 172.58 2cui s LEU 63 N -2.35 3.62 -0.23 1.83 2.96 -0.90 -4.94 118.68 118.67 2cui s LEU 63 Ca -0.02 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2cui s LEU 63 Cb -0.00 -2.24 0.06 0.00 0.50 0.00 0.00 46.19 44.50 2cui s LEU 63 CO -0.07 0.07 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.63 2cui s MET 64 N -3.10 1.90 -0.02 1.98 1.75 -1.26 -3.00 119.30 117.55 2cui s MET 64 Ca 0.30 -1.05 0.02 0.00 -1.25 0.00 0.00 55.69 53.70 2cui s MET 64 Cb -0.10 -2.63 0.01 0.00 2.84 0.00 0.00 34.83 34.95 2cui s MET 64 CO 0.22 -0.55 -0.06 0.08 -0.65 0.00 0.00 175.02 174.06 2cui s VAL 65 N 1.31 0.56 0.61 10.11 1.01 -1.00 -4.97 120.40 128.04 2cui s VAL 65 Ca -0.06 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 2cui s VAL 65 Cb -0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2cui s VAL 65 CO -0.06 0.19 1.12 -2.16 0.00 0.00 0.00 175.10 174.18 2cui s PRO 66 N 0.24 3.02 0.31 2.72 0.04 -1.26 0.13 135.00 140.21 2cui s PRO 66 Ca -0.03 1.48 0.09 0.00 0.04 0.00 0.00 61.00 62.58 2cui s PRO 66 Cb -0.07 -1.97 0.86 0.00 0.04 0.00 0.00 34.50 33.36 2cui s PRO 66 CO -0.00 -1.09 1.73 0.78 0.04 0.00 0.00 177.00 178.45 2cui h GLY 67 N 0.49 1.86 1.82 0.56 0.00 -1.66 0.57 103.07 106.71 2cui h GLY 67 Ca -0.48 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 46.57 2cui h GLY 67 CO 0.55 -0.24 0.07 0.00 0.00 0.00 0.00 176.54 176.92 2cui h THR 68 N 0.57 0.53 -3.35 4.70 1.03 -1.91 -3.39 112.91 111.08 2cui h THR 68 Ca 0.63 0.00 -0.65 0.00 -0.01 0.00 0.00 66.41 66.38 2cui h THR 68 Cb 1.19 0.94 -0.27 0.00 -1.07 0.00 0.00 68.15 68.95 2cui h THR 68 CO -0.48 0.00 -0.73 -0.13 -0.01 0.00 0.00 175.52 174.17 2cui s ARG 69 N -4.65 3.41 -0.69 0.00 0.52 0.20 -5.04 118.95 112.71 2cui s ARG 69 Ca -0.05 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 54.58 2cui s ARG 69 Cb 0.15 -2.88 0.28 0.00 0.52 0.00 0.00 34.95 33.02 2cui s ARG 69 CO 0.55 -0.02 0.91 0.72 0.02 0.00 0.00 175.30 177.48 2cui n HIS 70 N 4.25 3.57 -4.00 -0.53 8.25 -1.26 -4.30 115.22 121.20 2cui n HIS 70 Ca -0.18 -3.91 -0.08 0.00 -0.26 0.00 0.00 57.72 53.29 2cui n HIS 70 Cb 0.52 -0.64 -0.10 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.59 0.32 -0.30 0.41 1.04 -1.26 -3.38 113.70 107.94 2cui s SER 71 Ca 0.41 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.98 2cui s SER 71 Cb 0.17 0.20 0.12 0.00 0.10 0.00 0.00 66.02 66.61 2cui s SER 71 CO -0.03 -0.54 0.67 0.00 0.98 0.00 0.00 173.24 174.33 2cui s ALA 72 N -3.12 -2.04 -0.25 5.32 0.00 -1.24 -4.87 121.76 115.55 2cui s ALA 72 Ca -0.01 2.35 0.02 0.00 0.00 0.00 0.00 51.96 54.33 2cui s ALA 72 Cb 0.02 -1.72 0.06 0.00 0.00 0.00 0.00 23.12 21.48 2cui s ALA 72 CO -0.07 -0.83 -0.09 0.08 0.00 0.00 0.00 175.76 174.85 2cui s VAL 73 N 2.65 1.92 0.49 0.00 1.01 -1.26 -0.52 120.40 124.68 2cui s VAL 73 Ca -0.07 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.38 2cui s VAL 73 Cb -0.10 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2cui s VAL 73 CO -0.19 -0.05 0.82 -0.76 0.00 0.00 0.00 175.10 174.92 2cui s LEU 74 N 1.22 3.59 0.34 3.92 2.01 -1.19 -4.95 118.68 123.63 2cui s LEU 74 Ca -0.08 1.03 0.07 0.00 0.01 0.00 0.00 54.13 55.16 2cui s LEU 74 Cb -0.19 -3.99 -0.02 0.00 0.01 0.00 0.00 46.19 41.99 2cui s LEU 74 CO -0.06 -0.60 0.32 -0.13 1.01 0.00 0.00 176.35 176.90 2cui s ARG 75 N -4.69 1.83 -1.40 1.70 0.52 -1.26 -3.49 118.95 112.16 2cui s ARG 75 Ca 0.49 -2.02 -0.09 0.00 -0.52 0.00 0.00 55.73 53.60 2cui s ARG 75 Cb -0.10 0.35 0.06 0.00 0.52 0.00 0.00 34.95 35.77 2cui s ARG 75 CO 0.44 -0.69 0.60 -0.25 0.02 0.00 0.00 175.30 175.42 2cui n ASP 76 N -1.64 -4.56 -4.90 0.23 9.92 -1.23 -4.95 116.55 109.42 2cui n ASP 76 Ca 0.07 -0.42 -0.29 0.00 -0.53 0.00 0.00 54.79 53.62 2cui n ASP 76 Cb 0.62 -3.72 -0.04 0.00 -0.64 0.00 0.00 41.12 37.34 2cui n ASP 76 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2cui s LEU 77 N -6.66 4.12 0.63 0.64 1.43 -0.34 -5.08 118.68 113.41 2cui s LEU 77 Ca 0.41 0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 54.08 2cui s LEU 77 Cb -0.21 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 2cui s LEU 77 CO 0.51 -0.13 1.06 -0.60 0.23 0.00 0.00 176.35 177.42 2cui s ARG 78 N -3.29 3.13 0.31 1.70 6.06 -1.26 -4.50 118.95 121.10 2cui s ARG 78 Ca 0.44 1.17 -0.25 0.00 -2.50 0.00 0.00 55.73 54.59 2cui s ARG 78 Cb -0.11 -2.01 -0.10 0.00 0.06 0.00 0.00 34.95 32.80 2cui s ARG 78 CO 0.28 -0.96 0.90 -1.54 -2.50 0.00 0.00 175.30 171.48 2cui s SER 79 N -3.01 7.26 -1.39 -2.12 1.04 -1.26 -4.04 113.70 110.19 2cui s SER 79 Ca 0.63 1.75 -0.10 0.00 0.48 0.00 0.00 55.95 58.70 2cui s SER 79 Cb -0.16 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.42 2cui s SER 79 CO 0.42 -0.07 0.36 0.61 0.98 0.00 0.00 173.24 175.54 2cui n GLY 80 N 0.50 -0.41 3.09 7.32 0.00 -1.22 -4.86 105.19 109.61 2cui n GLY 80 Ca 0.02 0.24 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.97 0.69 -0.28 2.61 2.01 -1.26 -4.94 115.64 110.50 2cui s THR 81 Ca 0.17 -1.18 -0.16 0.00 0.31 0.00 0.00 61.69 60.83 2cui s THR 81 Cb -0.08 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 2cui s THR 81 CO 0.95 -0.37 0.41 -0.22 -0.69 0.00 0.00 174.62 174.69 2cui s LEU 82 N -1.70 4.10 0.01 4.42 1.98 -1.26 -1.71 118.68 124.52 2cui s LEU 82 Ca -0.07 0.26 0.01 0.00 -2.89 0.00 0.00 54.13 51.44 2cui s LEU 82 Cb -0.09 -2.47 -0.04 0.00 0.66 0.00 0.00 46.19 44.25 2cui s LEU 82 CO 0.01 -0.24 0.04 -0.31 -1.89 0.00 0.00 176.35 173.96 2cui s TYR 83 N 2.14 3.17 -0.38 5.38 1.51 -0.80 -4.58 117.35 123.80 2cui s TYR 83 Ca 0.16 0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 56.24 2cui s TYR 83 Cb -0.16 -1.69 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 2cui s TYR 83 CO 0.10 0.51 0.21 0.45 -1.11 0.00 0.00 175.55 175.71 2cui s SER 84 N -1.75 5.75 0.05 2.29 0.15 -1.20 -3.13 113.70 115.87 2cui s SER 84 Ca 0.22 -1.00 -0.04 0.00 0.70 0.00 0.00 55.95 55.82 2cui s SER 84 Cb -0.12 -2.03 -0.05 0.00 -1.71 0.00 0.00 66.02 62.12 2cui s SER 84 CO 0.13 -0.39 0.27 -0.76 1.20 0.00 0.00 173.24 173.69 2cui s LEU 85 N 1.56 4.34 -0.22 3.45 1.43 -0.05 -2.85 118.68 126.34 2cui s LEU 85 Ca 0.02 0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 2cui s LEU 85 Cb -0.19 -2.89 0.12 0.00 0.03 0.00 0.00 46.19 43.25 2cui s LEU 85 CO 0.07 0.18 0.37 -0.89 0.23 0.00 0.00 176.35 176.32 2cui s THR 86 N -1.44 -0.59 0.21 5.49 2.01 -0.86 -0.34 115.64 120.11 2cui s THR 86 Ca 0.33 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.28 2cui s THR 86 Cb -0.13 -0.75 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 2cui s THR 86 CO 0.21 -0.06 0.46 -0.22 -0.69 0.00 0.00 174.62 174.32 2cui s LEU 87 N 2.54 4.18 -0.17 4.42 2.96 -0.80 -0.37 118.68 131.46 2cui s LEU 87 Ca 0.08 0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 2cui s LEU 87 Cb -0.14 -3.44 0.05 0.00 0.50 0.00 0.00 46.19 43.16 2cui s LEU 87 CO -0.14 -0.05 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.50 2cui s TYR 88 N -1.83 1.48 -1.16 5.38 2.02 -0.39 -1.70 117.35 121.14 2cui s TYR 88 Ca 0.43 -0.99 -0.22 0.00 -0.37 0.00 0.00 57.07 55.91 2cui s TYR 88 Cb -0.11 -1.21 -0.07 0.00 -0.40 0.00 0.00 41.96 40.17 2cui s TYR 88 CO 0.26 -0.60 1.91 0.20 -1.57 0.00 0.00 175.55 175.75 2cui s GLY 89 N 1.71 0.32 -0.35 0.71 0.00 -0.67 -2.17 107.32 106.86 2cui s GLY 89 Ca 0.00 -2.15 -0.28 0.00 0.00 0.00 0.00 44.72 42.29 2cui s GLY 89 CO -0.07 3.46 2.02 1.08 0.00 0.00 0.00 173.10 179.58 2cui s LEU 90 N 10.21 3.44 -0.02 0.66 2.01 -0.36 0.17 118.68 134.80 2cui s LEU 90 Ca 0.67 1.33 0.10 0.00 0.01 0.00 0.00 54.13 56.24 2cui s LEU 90 Cb -0.01 -3.25 0.33 0.00 0.01 0.00 0.00 46.19 43.27 2cui s LEU 90 CO 0.11 -2.03 1.24 -2.11 1.01 0.00 0.00 176.35 174.56 2cui n ARG 91 N 8.70 2.04 0.00 1.70 -4.01 -1.17 0.13 116.66 124.05 2cui n ARG 91 Ca 0.27 -1.34 0.00 0.00 -1.04 0.00 0.00 57.85 55.73 2cui n ARG 91 Cb 0.48 -1.39 0.00 0.00 -3.04 0.00 0.00 32.46 28.51 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 0.93 0.84 0.12 2.89 0.00 -1.26 -4.48 105.19 104.24 2cui n GLY 92 Ca 0.12 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 0.31 -5.76 1.61 0.13 -2.01 -3.46 132.00 122.83 2cui h PRO 93 Ca 0.00 -0.17 -0.49 0.00 -0.87 0.00 0.00 66.00 64.47 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 0.71 -0.75 -1.01 -0.23 0.00 0.00 178.00 176.72 2cui s HIS 94 N -4.30 1.82 0.51 1.56 3.76 -1.26 -5.13 115.29 112.25 2cui s HIS 94 Ca -0.14 -0.51 -0.22 0.00 -0.15 0.00 0.00 55.06 54.04 2cui s HIS 94 Cb 0.05 -0.85 -0.06 0.00 1.11 0.00 0.00 32.58 32.83 2cui s HIS 94 CO 0.74 0.40 1.27 0.15 -0.85 0.00 0.00 174.74 176.45 2cui s LYS 95 N -3.37 3.38 -0.25 1.40 1.02 -1.26 -3.07 119.74 117.59 2cui s LYS 95 Ca 0.21 2.03 -0.04 0.00 0.02 0.00 0.00 55.97 58.19 2cui s LYS 95 Cb -0.03 -2.30 -0.17 0.00 -0.52 0.00 0.00 37.83 34.81 2cui s LYS 95 CO 0.08 -0.94 -0.17 0.00 -0.92 0.00 0.00 175.35 173.40 2cui n ALA 96 N -0.84 1.28 -2.27 5.17 0.00 0.13 -4.80 120.51 119.18 2cui n ALA 96 Ca 0.09 -1.02 -0.17 0.00 0.00 0.00 0.00 53.44 52.34 2cui n ALA 96 Cb 0.46 -0.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.70 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 -6.85 1.24 -0.26 0.00 2.15 -1.23 -4.95 116.67 106.76 2cui s ASP 97 Ca -0.34 -1.64 -0.09 0.00 0.43 0.00 0.00 52.55 50.92 2cui s ASP 97 Cb 0.10 0.49 0.12 0.00 -0.30 0.00 0.00 42.92 43.33 2cui s ASP 97 CO 0.59 -0.98 0.56 -0.94 -0.17 0.00 0.00 175.17 174.23 2cui s SER 98 N -3.32 -0.80 0.28 -0.34 1.04 -1.26 -1.67 113.70 107.64 2cui s SER 98 Ca 0.40 1.33 0.10 0.00 0.48 0.00 0.00 55.95 58.25 2cui s SER 98 Cb 0.04 1.93 -0.04 0.00 0.10 0.00 0.00 66.02 68.04 2cui s SER 98 CO 0.22 -0.23 0.00 -0.51 0.98 0.00 0.00 173.24 173.71 2cui s ILE 99 N 2.79 3.30 -0.07 -1.02 2.07 -0.69 -4.97 121.20 122.61 2cui s ILE 99 Ca -0.04 -1.92 0.05 0.00 -1.41 0.00 0.00 60.65 57.33 2cui s ILE 99 Cb -0.12 -2.82 -0.01 0.00 0.13 0.00 0.00 42.46 39.63 2cui s ILE 99 CO -0.17 -0.35 -0.23 -1.10 -1.91 0.00 0.00 174.94 171.19 2cui s GLN 100 N -3.68 2.65 -0.15 3.50 -1.52 -1.26 -1.90 119.66 117.30 2cui s GLN 100 Ca 0.32 -0.87 -0.02 0.00 -1.95 0.00 0.00 55.36 52.84 2cui s GLN 100 Cb -0.05 -2.23 0.05 0.00 -0.22 0.00 0.00 33.01 30.55 2cui s GLN 100 CO 0.20 0.37 0.01 0.20 -0.25 0.00 0.00 175.29 175.82 2cui s GLY 101 N -0.13 0.67 -0.08 3.09 0.00 0.54 -4.75 107.32 106.66 2cui s GLY 101 Ca -0.04 -0.53 -0.08 0.00 0.00 0.00 0.00 44.72 44.07 2cui s GLY 101 CO 0.04 1.26 0.20 -0.51 0.00 0.00 0.00 173.10 174.09 2cui s THR 102 N 1.86 5.40 -0.09 0.90 -4.23 -1.26 -0.87 115.64 117.35 2cui s THR 102 Ca 0.01 0.28 -0.21 0.00 -1.18 0.00 0.00 61.69 60.59 2cui s THR 102 Cb -0.15 -3.48 0.05 0.00 1.34 0.00 0.00 72.50 70.25 2cui s THR 102 CO -0.07 0.56 0.50 0.00 -0.54 0.00 0.00 174.62 175.07 2cui s ALA 103 N -1.09 -1.28 -0.23 3.99 0.00 -1.18 -4.76 121.76 117.21 2cui s ALA 103 Ca 0.19 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 2cui s ALA 103 Cb -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2cui s ALA 103 CO 0.08 -0.29 -0.05 0.50 0.00 0.00 0.00 175.76 176.00 2cui s ARG 104 N -0.74 3.22 0.87 0.00 3.52 -1.26 -1.90 118.95 122.65 2cui s ARG 104 Ca -0.08 -0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 54.68 2cui s ARG 104 Cb -0.03 -3.00 0.11 0.00 -1.56 0.00 0.00 34.95 30.47 2cui s ARG 104 CO 0.05 -0.26 1.10 0.95 -0.81 0.00 0.00 175.30 176.33 2cui s THR 105 N 1.44 2.71 0.09 4.11 -4.23 -0.69 -4.92 115.64 114.14 2cui s THR 105 Ca 0.04 0.23 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 2cui s THR 105 Cb -0.15 -2.54 -0.06 0.00 1.34 0.00 0.00 72.50 71.09 2cui s THR 105 CO -0.04 -0.30 0.48 -0.76 -0.54 0.00 0.00 174.62 173.47 2cui s LEU 106 N -6.29 4.40 0.05 4.79 1.43 -1.12 -3.55 118.68 118.39 2cui s LEU 106 Ca 0.64 1.01 -0.24 0.00 -1.03 0.00 0.00 54.13 54.50 2cui s LEU 106 Cb -0.20 -3.00 -0.17 0.00 0.03 0.00 0.00 46.19 42.85 2cui s LEU 106 CO 0.57 0.19 1.57 -1.28 0.23 0.00 0.00 176.35 177.64 2cui h SER 107 N 3.97 -0.02 0.00 2.29 0.87 -1.89 -3.23 113.55 115.53 2cui h SER 107 Ca -0.49 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 2cui h SER 107 Cb 1.20 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2cui h SER 107 CO 0.65 0.14 0.00 0.61 -0.53 0.00 0.00 176.83 177.70 2cui n GLY 108 N -0.66 3.98 0.16 5.77 0.00 -1.26 -4.68 105.19 108.51 2cui n GLY 108 Ca -0.08 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 -6.11 1.61 0.13 -2.03 -3.45 132.00 122.15 2cui h PRO 109 Ca 0.00 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 64.36 2cui h PRO 109 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 2cui h PRO 109 CO 0.00 0.00 0.53 -1.13 -0.23 0.00 0.00 178.00 177.17 2cui n SER 110 N -2.41 1.33 -4.27 1.44 3.41 -1.26 -4.94 113.62 106.91 2cui n SER 110 Ca 0.02 1.13 -0.32 0.00 -0.26 0.00 0.00 58.87 59.44 2cui n SER 110 Cb 0.24 -1.04 -0.16 0.00 -0.26 0.00 0.00 64.21 62.99 2cui n SER 110 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cui s SER 111 N 1.79 3.22 0.00 4.04 0.01 -1.26 -5.21 113.70 116.28 2cui s SER 111 Ca 0.95 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2cui s SER 111 Cb -1.19 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2cui s SER 111 CO 0.63 0.22 0.43 0.61 0.41 0.00 0.00 173.24 175.54