#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 -0.04 -0.01 1.61 0.01 -1.26 -5.17 113.70 108.84 2cui s SER 2 Ca 0.00 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 56.85 2cui s SER 2 Cb 0.00 0.24 0.11 0.00 0.21 0.00 0.00 66.02 66.58 2cui s SER 2 CO 0.00 -0.39 1.13 -0.55 0.41 0.00 0.00 173.24 173.85 2cui s SER 3 N -1.34 -0.14 -0.24 2.44 0.15 -1.26 -5.04 113.70 108.28 2cui s SER 3 Ca -0.14 -0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 2cui s SER 3 Cb -0.07 0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.58 2cui s SER 3 CO 0.02 -0.48 0.03 -0.83 1.20 0.00 0.00 173.24 173.18 2cui s GLY 4 N -2.74 0.99 0.08 9.45 0.00 -1.26 -5.11 107.32 108.73 2cui s GLY 4 Ca 0.11 -1.16 -0.31 0.00 0.00 0.00 0.00 44.72 43.37 2cui s GLY 4 CO -0.03 1.32 1.45 -0.56 0.00 0.00 0.00 173.10 175.29 2cui s SER 5 N 1.65 6.77 -0.08 1.64 0.01 -1.26 -4.93 113.70 117.50 2cui s SER 5 Ca 0.01 2.32 -0.30 0.00 1.31 0.00 0.00 55.95 59.28 2cui s SER 5 Cb -0.18 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.55 2cui s SER 5 CO -0.12 -0.73 0.70 -0.44 0.41 0.00 0.00 173.24 173.06 2cui s SER 6 N 1.55 -0.66 -0.36 2.44 0.01 -1.26 -5.11 113.70 110.32 2cui s SER 6 Ca 0.66 0.79 -0.33 0.00 1.31 0.00 0.00 55.95 58.38 2cui s SER 6 Cb -0.36 0.64 -0.11 0.00 0.21 0.00 0.00 66.02 66.40 2cui s SER 6 CO 0.30 -0.56 2.23 0.61 0.41 0.00 0.00 173.24 176.23 2cui n GLY 7 N 1.11 0.51 2.90 3.44 0.00 -1.26 -4.90 105.19 106.99 2cui n GLY 7 Ca -0.18 0.90 -0.10 0.00 0.00 0.00 0.00 46.02 46.64 2cui n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cui s SER 8 N 7.86 0.38 0.04 1.61 0.01 -1.26 -4.99 113.70 117.35 2cui s SER 8 Ca 1.09 0.10 -0.32 0.00 1.31 0.00 0.00 55.95 58.13 2cui s SER 8 Cb -0.75 1.05 -0.18 0.00 0.21 0.00 0.00 66.02 66.35 2cui s SER 8 CO 0.45 -0.31 1.34 0.03 0.41 0.00 0.00 173.24 175.16 2cui h ARG 9 N 8.19 -1.10 -6.88 12.44 3.08 -1.95 -3.44 114.38 124.72 2cui h ARG 9 Ca -0.18 0.08 -0.51 0.00 0.07 0.00 0.00 59.98 59.43 2cui h ARG 9 Cb 1.15 0.25 0.05 0.00 0.08 0.00 0.00 29.97 31.50 2cui h ARG 9 CO 0.28 -0.73 0.55 -1.25 -1.07 0.00 0.00 179.97 177.75 2cui s PRO 10 N -5.30 4.31 0.43 0.04 0.04 -1.26 -5.05 135.00 128.21 2cui s PRO 10 Ca -0.17 1.99 0.03 0.00 0.04 0.00 0.00 61.00 62.90 2cui s PRO 10 Cb 0.02 -2.96 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 2cui s PRO 10 CO 0.50 -0.15 0.11 1.03 0.04 0.00 0.00 177.00 178.54 2cui s ARG 11 N -1.89 1.98 0.29 4.56 3.00 -1.26 -4.70 118.95 120.93 2cui s ARG 11 Ca 0.51 -2.22 0.03 0.00 0.00 0.00 0.00 55.73 54.05 2cui s ARG 11 Cb -0.35 -0.75 -0.03 0.00 0.00 0.00 0.00 34.95 33.83 2cui s ARG 11 CO 0.45 -0.47 0.44 -0.51 0.00 0.00 0.00 175.30 175.21 2cui s LEU 12 N -3.65 4.18 0.51 2.53 1.43 -1.26 -4.64 118.68 117.76 2cui s LEU 12 Ca 0.21 0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.58 2cui s LEU 12 Cb 0.02 -3.01 0.05 0.00 0.03 0.00 0.00 46.19 43.28 2cui s LEU 12 CO 0.13 -0.19 0.67 -0.55 0.23 0.00 0.00 176.35 176.64 2cui s SER 13 N -4.02 5.28 -0.32 2.29 0.15 -0.85 -5.00 113.70 111.23 2cui s SER 13 Ca 0.37 -0.71 -0.34 0.00 0.70 0.00 0.00 55.95 55.97 2cui s SER 13 Cb -0.09 -0.09 -0.11 0.00 -1.71 0.00 0.00 66.02 64.02 2cui s SER 13 CO 0.32 -1.08 2.18 0.00 1.20 0.00 0.00 173.24 175.85 2cui n GLN 14 N -2.04 1.24 -3.04 5.44 0.00 -1.26 -4.59 117.38 113.13 2cui n GLN 14 Ca 0.11 0.34 -0.44 0.00 0.00 0.00 0.00 57.00 57.02 2cui n GLN 14 Cb 0.61 -2.57 -0.05 0.00 0.00 0.00 0.00 30.24 28.23 2cui n GLN 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2cui s LEU 15 N 7.27 4.75 0.31 2.61 2.96 -1.26 -4.62 118.68 130.71 2cui s LEU 15 Ca 1.08 -0.87 0.08 0.00 -0.22 0.00 0.00 54.13 54.20 2cui s LEU 15 Cb -0.78 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 2cui s LEU 15 CO 0.48 -1.07 0.12 -0.44 -1.32 0.00 0.00 176.35 174.11 2cui s SER 16 N 2.99 4.80 -0.11 3.68 0.01 -1.18 -4.66 113.70 119.23 2cui s SER 16 Ca 0.19 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 2cui s SER 16 Cb -0.18 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 2cui s SER 16 CO 0.12 -0.18 -0.07 -0.69 0.41 0.00 0.00 173.24 172.83 2cui s VAL 17 N -2.35 3.61 0.16 3.43 1.01 -1.26 -1.93 120.40 123.07 2cui s VAL 17 Ca 0.35 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.92 2cui s VAL 17 Cb -0.05 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2cui s VAL 17 CO 0.22 0.55 -0.16 0.42 0.00 0.00 0.00 175.10 176.13 2cui s THR 18 N -0.14 1.62 -1.10 3.92 -4.23 0.82 -4.78 115.64 111.74 2cui s THR 18 Ca 0.01 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 2cui s THR 18 Cb -0.13 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 71.95 2cui s THR 18 CO 0.03 -0.40 0.96 0.47 -0.54 0.00 0.00 174.62 175.13 2cui n ASP 19 N 0.26 -5.43 -4.46 3.99 8.00 -1.26 -1.95 116.55 115.69 2cui n ASP 19 Ca -0.13 -0.44 -0.47 0.00 0.71 0.00 0.00 54.79 54.46 2cui n ASP 19 Cb 0.58 -4.19 -0.08 0.00 -0.02 0.00 0.00 41.12 37.40 2cui n ASP 19 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2cui n VAL 20 N -4.51 0.10 -2.63 2.53 0.31 -1.26 -4.43 118.33 108.44 2cui n VAL 20 Ca -0.00 -0.29 -0.28 0.00 -0.01 0.00 0.00 64.34 63.76 2cui n VAL 20 Cb 0.55 -1.57 -0.00 0.00 -0.91 0.00 0.00 33.84 31.91 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 8.34 4.90 0.24 2.52 2.01 0.48 -4.67 115.64 129.46 2cui s THR 21 Ca 1.13 0.24 -0.07 0.00 0.31 0.00 0.00 61.69 63.30 2cui s THR 21 Cb -0.85 -3.86 0.27 0.00 0.01 0.00 0.00 72.50 68.06 2cui s THR 21 CO 0.46 -0.84 1.64 0.71 -0.69 0.00 0.00 174.62 175.90 2cui h THR 22 N 0.26 0.37 0.00 -0.82 1.35 -1.91 -2.78 112.91 109.37 2cui h THR 22 Ca -0.47 -0.04 -0.03 0.00 -0.55 0.00 0.00 66.41 65.33 2cui h THR 22 Cb 1.20 0.24 -0.06 0.00 -1.73 0.00 0.00 68.15 67.81 2cui h THR 22 CO 0.62 0.02 -0.41 -0.24 -0.25 0.00 0.00 175.52 175.26 2cui n SER 23 N -5.33 1.30 -3.08 5.36 2.88 -1.26 -3.49 113.62 110.00 2cui n SER 23 Ca 0.13 -2.73 -0.11 0.00 -1.33 0.00 0.00 58.87 54.83 2cui n SER 23 Cb 0.46 -0.36 -0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2cui n SER 23 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cui s SER 24 N -2.22 0.38 0.03 -3.46 0.01 -1.06 -0.94 113.70 106.45 2cui s SER 24 Ca 0.23 -1.28 -0.28 0.00 1.31 0.00 0.00 55.95 55.94 2cui s SER 24 Cb 0.23 0.77 0.10 0.00 0.21 0.00 0.00 66.02 67.33 2cui s SER 24 CO -0.03 -1.52 1.21 -1.48 0.41 0.00 0.00 173.24 171.83 2cui s LEU 25 N -3.14 -0.04 0.05 2.44 0.05 -1.11 0.18 118.68 117.11 2cui s LEU 25 Ca 0.22 -0.27 0.05 0.00 0.05 0.00 0.00 54.13 54.17 2cui s LEU 25 Cb -0.03 1.55 -0.02 0.00 -2.05 0.00 0.00 46.19 45.64 2cui s LEU 25 CO 0.15 -0.47 -0.14 -0.60 -0.55 0.00 0.00 176.35 174.74 2cui s ARG 26 N -2.34 0.90 0.29 1.48 3.52 -0.82 -2.79 118.95 119.19 2cui s ARG 26 Ca 0.20 -0.82 0.10 0.00 -0.13 0.00 0.00 55.73 55.07 2cui s ARG 26 Cb 0.01 -0.91 -0.05 0.00 -1.56 0.00 0.00 34.95 32.44 2cui s ARG 26 CO -0.01 0.22 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.18 2cui s LEU 27 N -1.33 3.07 -0.24 -0.88 1.43 0.98 -0.13 118.68 121.58 2cui s LEU 27 Ca 0.01 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 2cui s LEU 27 Cb -0.09 -1.55 0.11 0.00 0.03 0.00 0.00 46.19 44.70 2cui s LEU 27 CO 0.02 -0.08 0.50 0.20 0.23 0.00 0.00 176.35 177.21 2cui s ASN 28 N -3.68 -0.56 0.10 2.29 0.01 -0.81 -3.60 114.94 108.68 2cui s ASN 28 Ca 0.33 1.11 0.03 0.00 -0.71 0.00 0.00 52.86 53.62 2cui s ASN 28 Cb -0.04 1.68 -0.04 0.00 0.41 0.00 0.00 41.25 43.25 2cui s ASN 28 CO 0.19 -0.23 -0.08 -1.66 -1.51 0.00 0.00 177.10 173.81 2cui s TRP 29 N 2.71 0.96 -0.13 2.20 -2.14 -1.21 -3.08 118.94 118.25 2cui s TRP 29 Ca -0.01 -0.75 -0.02 0.00 2.66 0.00 0.00 56.10 57.98 2cui s TRP 29 Cb -0.12 -0.54 -0.02 0.00 -3.10 0.00 0.00 33.47 29.69 2cui s TRP 29 CO -0.15 -0.06 -0.07 -2.00 -2.66 0.00 0.00 176.95 172.00 2cui s GLU 30 N -3.17 3.40 -0.03 3.25 2.56 -1.26 -4.67 118.70 118.79 2cui s GLU 30 Ca 0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 54.97 54.44 2cui s GLU 30 Cb 0.00 -2.76 0.01 0.00 2.00 0.00 0.00 34.13 33.38 2cui s GLU 30 CO -0.02 0.31 0.08 0.00 -0.56 0.00 0.00 175.26 175.07 2cui s ALA 31 N 0.13 -0.19 0.70 6.30 0.00 -1.26 -2.00 121.76 125.44 2cui s ALA 31 Ca -0.03 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 2cui s ALA 31 Cb -0.14 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.88 2cui s ALA 31 CO 0.04 -0.04 1.10 -1.25 0.00 0.00 0.00 175.76 175.61 2cui s PRO 32 N -0.00 2.60 0.34 0.00 0.04 -1.26 -5.00 135.00 131.71 2cui s PRO 32 Ca -0.00 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 2cui s PRO 32 Cb -0.01 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2cui s PRO 32 CO 0.00 -1.40 1.21 -1.25 0.04 0.00 0.00 177.00 175.61 2cui s PRO 33 N -4.40 4.32 -1.30 0.56 0.04 -1.26 -3.19 135.00 129.77 2cui s PRO 33 Ca 0.65 2.00 -0.00 0.00 0.04 0.00 0.00 61.00 63.68 2cui s PRO 33 Cb -0.19 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2cui s PRO 33 CO 0.47 -0.14 0.06 0.41 0.04 0.00 0.00 177.00 177.84 2cui n GLY 34 N 0.85 -0.26 0.06 0.56 0.00 -1.26 -4.89 105.19 100.25 2cui n GLY 34 Ca 0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 2cui n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cui n ALA 35 N -1.93 1.70 -3.69 4.61 0.00 -1.19 -5.01 120.51 114.99 2cui n ALA 35 Ca -0.17 -0.74 -0.12 0.00 0.00 0.00 0.00 53.44 52.41 2cui n ALA 35 Cb 0.63 0.05 -0.12 0.00 0.00 0.00 0.00 19.45 20.01 2cui n ALA 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2cui s PHE 36 N -2.29 -0.41 0.20 0.00 0.08 -1.26 -4.60 117.98 109.68 2cui s PHE 36 Ca -0.11 0.94 -0.03 0.00 0.12 0.00 0.00 56.93 57.84 2cui s PHE 36 Cb 0.04 0.12 0.13 0.00 -0.57 0.00 0.00 43.02 42.73 2cui s PHE 36 CO 0.44 -0.26 1.53 0.22 -0.10 0.00 0.00 175.22 177.04 2cui h ASP 37 N 7.12 0.65 -5.38 1.36 3.58 -0.61 -3.25 116.42 119.89 2cui h ASP 37 Ca -0.39 -0.33 -0.19 0.00 0.42 0.00 0.00 57.03 56.54 2cui h ASP 37 Cb 1.17 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.96 2cui h ASP 37 CO 0.35 1.03 -0.09 -0.94 -2.88 0.00 0.00 179.24 176.71 2cui s SER 38 N -6.89 0.58 -0.10 2.28 1.04 -1.14 -2.45 113.70 107.02 2cui s SER 38 Ca -0.08 -1.33 -0.02 0.00 0.48 0.00 0.00 55.95 55.00 2cui s SER 38 Cb 0.12 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.96 2cui s SER 38 CO 0.84 -1.35 0.00 -0.36 0.98 0.00 0.00 173.24 173.35 2cui s PHE 39 N -3.05 0.79 -0.43 5.02 0.08 0.51 -1.99 117.98 118.90 2cui s PHE 39 Ca 0.26 -0.34 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 2cui s PHE 39 Cb -0.01 -0.87 0.07 0.00 -0.57 0.00 0.00 43.02 41.63 2cui s PHE 39 CO 0.17 -0.40 0.30 -1.17 -0.10 0.00 0.00 175.22 174.02 2cui s LEU 40 N 1.93 5.27 -0.16 -0.37 2.96 -0.82 -2.51 118.68 124.98 2cui s LEU 40 Ca 0.04 -1.35 -0.16 0.00 -0.22 0.00 0.00 54.13 52.44 2cui s LEU 40 Cb -0.13 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2cui s LEU 40 CO -0.06 -0.55 0.38 -0.22 -1.32 0.00 0.00 176.35 174.57 2cui s LEU 41 N 1.53 4.22 -0.23 -0.68 2.96 -1.16 -1.61 118.68 123.71 2cui s LEU 41 Ca 0.03 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 2cui s LEU 41 Cb -0.23 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 43.99 2cui s LEU 41 CO 0.05 0.01 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.84 2cui s ARG 42 N 0.81 2.78 -0.22 1.98 0.52 -0.51 -1.93 118.95 122.38 2cui s ARG 42 Ca 0.20 -1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 54.37 2cui s ARG 42 Cb -0.14 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 2cui s ARG 42 CO 0.07 -0.37 -0.03 -0.59 0.02 0.00 0.00 175.30 174.39 2cui s PHE 43 N 1.27 2.97 0.21 -0.53 -0.71 -1.25 -1.69 117.98 118.26 2cui s PHE 43 Ca -0.00 -0.88 0.06 0.00 -1.04 0.00 0.00 56.93 55.07 2cui s PHE 43 Cb -0.16 -2.11 -0.05 0.00 -1.21 0.00 0.00 43.02 39.49 2cui s PHE 43 CO -0.07 -0.52 -0.08 0.20 -1.34 0.00 0.00 175.22 173.41 2cui s GLY 44 N 1.46 1.45 -0.46 1.99 0.00 -1.09 -4.48 107.32 106.20 2cui s GLY 44 Ca 0.06 -1.70 -0.26 0.00 0.00 0.00 0.00 44.72 42.82 2cui s GLY 44 CO -0.03 -1.71 0.94 0.14 0.00 0.00 0.00 173.10 172.45 2cui s VAL 45 N -3.19 4.46 -0.34 1.40 1.01 -1.26 -3.13 120.40 119.35 2cui s VAL 45 Ca 0.24 0.81 -0.29 0.00 0.00 0.00 0.00 61.98 62.74 2cui s VAL 45 Cb 0.03 -4.44 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 2cui s VAL 45 CO 0.07 -0.83 1.69 -2.16 0.00 0.00 0.00 175.10 173.87 2cui s PRO 46 N 3.79 3.44 0.01 2.72 0.04 -1.26 -5.00 135.00 138.75 2cui s PRO 46 Ca 0.38 1.34 0.05 0.00 0.04 0.00 0.00 61.00 62.82 2cui s PRO 46 Cb -0.10 -4.14 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 2cui s PRO 46 CO 0.26 -1.73 -0.15 -1.54 0.04 0.00 0.00 177.00 173.89 2cui s SER 47 N 5.38 4.04 0.63 6.66 1.04 -1.26 -5.07 113.70 125.13 2cui s SER 47 Ca 0.75 -0.31 -0.16 0.00 0.48 0.00 0.00 55.95 56.71 2cui s SER 47 Cb -0.21 -0.77 -0.01 0.00 0.10 0.00 0.00 66.02 65.13 2cui s SER 47 CO 0.33 0.28 1.11 -2.16 0.98 0.00 0.00 173.24 173.79 2cui s PRO 48 N -1.28 2.92 -0.05 4.02 0.04 -1.26 -4.98 135.00 134.42 2cui s PRO 48 Ca 0.15 1.43 0.16 0.00 0.04 0.00 0.00 61.00 62.78 2cui s PRO 48 Cb -0.11 -1.96 -0.21 0.00 0.04 0.00 0.00 34.50 32.26 2cui s PRO 48 CO 0.05 -1.16 0.57 0.45 0.04 0.00 0.00 177.00 176.95 2cui n SER 49 N -2.18 0.63 0.11 6.66 2.88 -1.26 -4.12 113.62 116.35 2cui n SER 49 Ca 0.11 0.29 0.02 0.00 -1.33 0.00 0.00 58.87 57.96 2cui n SER 49 Cb 0.52 0.35 0.37 0.00 -0.75 0.00 0.00 64.21 64.70 2cui n SER 49 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2cui h THR 50 N 0.00 1.19 -3.06 2.46 1.35 -2.07 -3.44 112.91 109.34 2cui h THR 50 Ca -0.29 -0.85 -0.45 0.00 -0.55 0.00 0.00 66.41 64.27 2cui h THR 50 Cb 1.88 1.25 0.06 0.00 -1.73 0.00 0.00 68.15 69.60 2cui h THR 50 CO 0.05 0.26 0.07 -0.76 -0.25 0.00 0.00 175.52 174.89 2cui s LEU 51 N -8.73 3.17 0.19 3.87 2.01 -1.26 -5.08 118.68 112.85 2cui s LEU 51 Ca -0.05 0.25 -0.21 0.00 0.01 0.00 0.00 54.13 54.13 2cui s LEU 51 Cb 0.15 -3.05 -0.08 0.00 0.01 0.00 0.00 46.19 43.22 2cui s LEU 51 CO 0.74 -1.23 0.72 -1.61 1.01 0.00 0.00 176.35 175.98 2cui s GLU 52 N -4.92 4.33 0.80 1.70 2.02 -1.26 -4.95 118.70 116.43 2cui s GLU 52 Ca 0.57 0.94 -0.11 0.00 0.02 0.00 0.00 54.97 56.39 2cui s GLU 52 Cb -0.10 -3.03 0.07 0.00 0.10 0.00 0.00 34.13 31.17 2cui s GLU 52 CO 0.41 0.47 1.09 -1.25 0.02 0.00 0.00 175.26 176.00 2cui s PRO 53 N -1.65 2.04 -0.05 0.39 0.04 -1.26 -5.03 135.00 129.48 2cui s PRO 53 Ca 0.39 1.10 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 2cui s PRO 53 Cb -0.19 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2cui s PRO 53 CO 0.22 -1.78 0.38 -1.01 0.04 0.00 0.00 177.00 174.86 2cui s HIS 54 N -2.91 3.65 -1.81 0.56 3.76 -1.26 -4.96 115.29 112.32 2cui s HIS 54 Ca 0.62 0.89 0.15 0.00 -0.15 0.00 0.00 55.06 56.57 2cui s HIS 54 Cb -0.17 -2.31 0.87 0.00 1.11 0.00 0.00 32.58 32.07 2cui s HIS 54 CO 0.56 0.52 1.36 -0.35 -0.85 0.00 0.00 174.74 175.99 2cui n PRO 55 N 2.36 0.39 -3.21 8.40 -0.04 -1.26 -4.70 135.00 136.94 2cui n PRO 55 Ca -0.13 0.05 -0.39 0.00 -0.04 0.00 0.00 63.50 62.99 2cui n PRO 55 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.19 4.35 0.27 0.54 3.52 -1.26 -5.05 118.95 119.13 2cui s ARG 56 Ca 0.20 0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 56.10 2cui s ARG 56 Cb 0.10 -3.46 -0.10 0.00 -1.56 0.00 0.00 34.95 29.94 2cui s ARG 56 CO 0.20 0.08 1.25 -1.25 -0.81 0.00 0.00 175.30 174.77 2cui s PRO 57 N 0.84 4.44 -0.32 5.12 0.04 -1.26 -5.02 135.00 138.84 2cui s PRO 57 Ca 0.30 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.41 2cui s PRO 57 Cb -0.16 -3.14 0.08 0.00 0.04 0.00 0.00 34.50 31.32 2cui s PRO 57 CO 0.13 -0.11 0.01 -0.51 0.04 0.00 0.00 177.00 176.56 2cui s LEU 58 N -1.11 4.28 0.22 -3.56 1.02 -1.26 -5.09 118.68 113.18 2cui s LEU 58 Ca 0.50 -1.75 -0.30 0.00 0.02 0.00 0.00 54.13 52.60 2cui s LEU 58 Cb -0.37 -1.65 -0.09 0.00 0.02 0.00 0.00 46.19 44.10 2cui s LEU 58 CO 0.45 -0.32 1.36 -1.48 0.02 0.00 0.00 176.35 176.37 2cui s LEU 59 N 1.06 4.41 0.30 1.79 2.34 -1.26 -5.02 118.68 122.29 2cui s LEU 59 Ca 0.02 2.51 0.05 0.00 0.06 0.00 0.00 54.13 56.76 2cui s LEU 59 Cb -0.20 -3.62 -0.02 0.00 -0.56 0.00 0.00 46.19 41.79 2cui s LEU 59 CO -0.05 -0.59 0.44 -1.10 -1.06 0.00 0.00 176.35 173.98 2cui s GLN 60 N -0.27 3.33 0.26 1.48 -1.52 -1.26 -5.07 119.66 116.61 2cui s GLN 60 Ca 0.57 -0.76 -0.09 0.00 -1.95 0.00 0.00 55.36 53.13 2cui s GLN 60 Cb -0.39 -2.82 -0.01 0.00 -0.22 0.00 0.00 33.01 29.58 2cui s GLN 60 CO 0.41 0.24 0.43 1.03 -0.25 0.00 0.00 175.29 177.14 2cui s ARG 61 N -4.12 1.58 0.05 2.91 0.52 -1.26 -5.14 118.95 113.49 2cui s ARG 61 Ca 0.39 -1.43 -0.23 0.00 -0.52 0.00 0.00 55.73 53.94 2cui s ARG 61 Cb -0.09 0.44 0.06 0.00 0.52 0.00 0.00 34.95 35.87 2cui s ARG 61 CO 0.31 -0.64 0.54 -1.83 0.02 0.00 0.00 175.30 173.70 2cui s GLU 62 N -3.80 1.06 0.17 3.54 4.04 -1.26 -3.83 118.70 118.62 2cui s GLU 62 Ca 0.27 -0.21 0.05 0.00 0.04 0.00 0.00 54.97 55.11 2cui s GLU 62 Cb 0.01 0.49 -0.04 0.00 0.02 0.00 0.00 34.13 34.60 2cui s GLU 62 CO 0.12 -0.39 0.18 -1.17 -1.84 0.00 0.00 175.26 172.17 2cui s LEU 63 N -1.97 3.95 -0.24 1.83 2.96 -0.81 -4.94 118.68 119.46 2cui s LEU 63 Ca -0.05 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 2cui s LEU 63 Cb -0.01 -2.54 0.06 0.00 0.50 0.00 0.00 46.19 44.21 2cui s LEU 63 CO -0.02 0.05 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.72 2cui s MET 64 N -3.21 1.46 -0.02 1.98 1.75 -1.26 -2.97 119.30 117.04 2cui s MET 64 Ca 0.32 -0.99 0.02 0.00 -1.25 0.00 0.00 55.69 53.78 2cui s MET 64 Cb -0.10 -2.54 0.00 0.00 2.84 0.00 0.00 34.83 35.03 2cui s MET 64 CO 0.25 -0.65 -0.05 0.08 -0.65 0.00 0.00 175.02 174.00 2cui s VAL 65 N 1.42 0.46 0.61 10.11 1.01 -1.04 -4.97 120.40 128.01 2cui s VAL 65 Ca -0.03 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 2cui s VAL 65 Cb -0.19 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2cui s VAL 65 CO -0.08 0.16 1.12 -2.16 0.00 0.00 0.00 175.10 174.14 2cui s PRO 66 N 0.22 3.03 0.28 2.72 0.04 -1.26 0.19 135.00 140.22 2cui s PRO 66 Ca -0.02 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.51 2cui s PRO 66 Cb -0.06 -1.97 0.66 0.00 0.04 0.00 0.00 34.50 33.16 2cui s PRO 66 CO -0.00 -1.08 1.69 0.78 0.04 0.00 0.00 177.00 178.43 2cui h GLY 67 N 0.51 1.40 1.43 0.56 0.00 -1.51 0.56 103.07 106.01 2cui h GLY 67 Ca -0.48 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 46.77 2cui h GLY 67 CO 0.55 -0.25 0.24 0.00 0.00 0.00 0.00 176.54 177.09 2cui h THR 68 N 0.37 0.33 -3.32 4.70 1.03 -1.87 -3.38 112.91 110.77 2cui h THR 68 Ca 0.52 0.00 -0.66 0.00 -0.01 0.00 0.00 66.41 66.26 2cui h THR 68 Cb 0.96 0.80 -0.28 0.00 -1.07 0.00 0.00 68.15 68.56 2cui h THR 68 CO -0.53 0.00 -0.76 -0.13 -0.01 0.00 0.00 175.52 174.10 2cui s ARG 69 N -4.49 3.34 -0.65 0.00 0.52 0.19 -5.04 118.95 112.82 2cui s ARG 69 Ca -0.04 -0.68 0.05 0.00 -0.52 0.00 0.00 55.73 54.54 2cui s ARG 69 Cb 0.14 -2.77 0.27 0.00 0.52 0.00 0.00 34.95 33.12 2cui s ARG 69 CO 0.49 0.02 0.85 0.72 0.02 0.00 0.00 175.30 177.39 2cui n HIS 70 N 4.11 3.68 -3.93 -0.53 8.25 -1.26 -4.31 115.22 121.23 2cui n HIS 70 Ca -0.18 -4.03 -0.10 0.00 -0.26 0.00 0.00 57.72 53.15 2cui n HIS 70 Cb 0.52 -0.58 -0.11 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 -2.67 0.15 -0.21 0.41 1.04 -1.26 -3.32 113.70 107.84 2cui s SER 71 Ca 0.42 -0.36 -0.10 0.00 0.48 0.00 0.00 55.95 56.38 2cui s SER 71 Cb 0.18 0.14 0.08 0.00 0.10 0.00 0.00 66.02 66.51 2cui s SER 71 CO -0.04 -0.31 0.48 0.00 0.98 0.00 0.00 173.24 174.35 2cui s ALA 72 N -1.36 -1.30 -0.14 5.32 0.00 -1.24 -4.88 121.76 118.17 2cui s ALA 72 Ca -0.15 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2cui s ALA 72 Cb -0.09 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.87 2cui s ALA 72 CO -0.00 -0.46 -0.12 0.08 0.00 0.00 0.00 175.76 175.26 2cui s VAL 73 N 1.87 1.40 -0.09 0.00 1.01 -1.26 -0.01 120.40 123.31 2cui s VAL 73 Ca -0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 2cui s VAL 73 Cb -0.09 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2cui s VAL 73 CO -0.15 0.43 0.06 -0.76 0.00 0.00 0.00 175.10 174.68 2cui s LEU 74 N 1.54 3.92 0.41 3.92 2.01 -1.12 -4.97 118.68 124.39 2cui s LEU 74 Ca 0.05 0.27 0.04 0.00 0.01 0.00 0.00 54.13 54.50 2cui s LEU 74 Cb -0.13 -1.94 -0.04 0.00 0.01 0.00 0.00 46.19 44.08 2cui s LEU 74 CO -0.10 0.38 0.05 -0.13 1.01 0.00 0.00 176.35 177.57 2cui s ARG 75 N -0.99 1.93 -1.34 1.70 3.00 -1.26 -2.75 118.95 119.24 2cui s ARG 75 Ca 0.15 -2.15 -0.06 0.00 0.00 0.00 0.00 55.73 53.67 2cui s ARG 75 Cb -0.12 -1.15 0.02 0.00 0.00 0.00 0.00 34.95 33.70 2cui s ARG 75 CO 0.04 -0.27 1.02 -0.25 0.00 0.00 0.00 175.30 175.83 2cui n ASP 76 N -1.05 -4.02 -3.44 0.23 9.92 -1.11 -4.95 116.55 112.12 2cui n ASP 76 Ca -0.08 -0.65 -0.12 0.00 -0.53 0.00 0.00 54.79 53.41 2cui n ASP 76 Cb 0.66 -4.71 0.06 0.00 -0.64 0.00 0.00 41.12 36.49 2cui n ASP 76 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2cui n LEU 77 N -4.58 0.00 0.00 0.64 4.77 -0.11 -5.06 117.00 112.65 2cui n LEU 77 Ca -0.12 -1.20 -0.22 0.00 -0.03 0.00 0.00 56.01 54.44 2cui n LEU 77 Cb 0.60 -0.33 0.11 0.00 -2.33 0.00 0.00 43.42 41.48 2cui n LEU 77 CO 0.66 -0.73 0.53 -1.14 -1.33 0.00 0.00 177.39 175.38 2cui n ARG 78 N -1.94 -0.10 -3.80 3.23 0.63 -1.26 -4.78 116.66 108.65 2cui n ARG 78 Ca 0.09 -2.55 -0.35 0.00 -0.92 0.00 0.00 57.85 54.12 2cui n ARG 78 Cb 0.32 -0.64 -0.08 0.00 0.45 0.00 0.00 32.46 32.51 2cui n ARG 78 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2cui s SER 79 N -4.85 6.10 -1.33 6.15 1.04 -1.26 -4.50 113.70 115.05 2cui s SER 79 Ca 0.63 0.21 -0.22 0.00 0.48 0.00 0.00 55.95 57.05 2cui s SER 79 Cb -0.04 -2.06 0.03 0.00 0.10 0.00 0.00 66.02 64.05 2cui s SER 79 CO 0.42 0.19 0.45 0.61 0.98 0.00 0.00 173.24 175.89 2cui n GLY 80 N 3.43 -0.58 3.11 7.32 0.00 -0.82 -4.86 105.19 112.79 2cui n GLY 80 Ca -0.16 0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.83 1.01 -0.26 2.61 2.01 -1.26 -4.88 115.64 111.05 2cui s THR 81 Ca 0.31 -0.82 -0.24 0.00 0.31 0.00 0.00 61.69 61.26 2cui s THR 81 Cb -0.17 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 2cui s THR 81 CO 0.97 0.08 0.78 -0.22 -0.69 0.00 0.00 174.62 175.55 2cui s LEU 82 N -0.84 4.08 -0.03 4.42 1.98 -1.26 -2.09 118.68 124.93 2cui s LEU 82 Ca 0.02 0.90 -0.01 0.00 -2.89 0.00 0.00 54.13 52.15 2cui s LEU 82 Cb -0.07 -3.10 -0.04 0.00 0.66 0.00 0.00 46.19 43.64 2cui s LEU 82 CO 0.01 -0.51 0.06 -0.31 -1.89 0.00 0.00 176.35 173.71 2cui s TYR 83 N 2.81 3.26 -0.42 5.38 1.51 -0.77 -4.56 117.35 124.56 2cui s TYR 83 Ca 0.33 0.22 -0.14 0.00 -1.01 0.00 0.00 57.07 56.47 2cui s TYR 83 Cb -0.15 -1.76 0.04 0.00 -0.11 0.00 0.00 41.96 39.98 2cui s TYR 83 CO 0.09 0.54 0.31 0.45 -1.11 0.00 0.00 175.55 175.82 2cui s SER 84 N -1.46 6.03 0.09 2.29 0.15 -1.18 -3.07 113.70 116.54 2cui s SER 84 Ca 0.20 -1.06 -0.00 0.00 0.70 0.00 0.00 55.95 55.78 2cui s SER 84 Cb -0.12 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2cui s SER 84 CO 0.10 -0.50 0.25 -0.76 1.20 0.00 0.00 173.24 173.53 2cui s LEU 85 N 1.63 4.34 -0.25 3.45 1.43 -0.40 -2.67 118.68 126.21 2cui s LEU 85 Ca 0.04 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2cui s LEU 85 Cb -0.21 -3.00 0.12 0.00 0.03 0.00 0.00 46.19 43.13 2cui s LEU 85 CO 0.08 0.13 0.28 -0.89 0.23 0.00 0.00 176.35 176.18 2cui s THR 86 N -1.58 -0.40 0.29 5.49 2.01 -0.68 -1.65 115.64 119.12 2cui s THR 86 Ca 0.36 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.92 2cui s THR 86 Cb -0.12 -0.84 -0.09 0.00 0.01 0.00 0.00 72.50 71.46 2cui s THR 86 CO 0.28 -0.31 0.71 -0.22 -0.69 0.00 0.00 174.62 174.38 2cui s LEU 87 N 2.37 4.14 -0.09 4.42 2.96 -0.35 -1.42 118.68 130.72 2cui s LEU 87 Ca 0.09 1.27 0.01 0.00 -0.22 0.00 0.00 54.13 55.28 2cui s LEU 87 Cb -0.15 -3.91 0.02 0.00 0.50 0.00 0.00 46.19 42.65 2cui s LEU 87 CO -0.22 -0.13 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.28 2cui s TYR 88 N -1.85 1.42 -1.18 5.38 2.02 -0.63 -1.60 117.35 120.91 2cui s TYR 88 Ca 0.51 -0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 56.42 2cui s TYR 88 Cb -0.12 -1.13 0.12 0.00 -0.40 0.00 0.00 41.96 40.43 2cui s TYR 88 CO 0.19 -0.40 1.49 0.20 -1.57 0.00 0.00 175.55 175.45 2cui s GLY 89 N 1.25 2.00 -0.25 0.71 0.00 0.76 -1.95 107.32 109.83 2cui s GLY 89 Ca -0.04 -3.04 -0.28 0.00 0.00 0.00 0.00 44.72 41.36 2cui s GLY 89 CO -0.03 2.32 2.25 1.04 0.00 0.00 0.00 173.10 178.68 2cui n LEU 90 N 6.93 3.15 -1.34 0.66 7.99 -0.84 -0.67 117.00 132.88 2cui n LEU 90 Ca 0.38 0.11 0.05 0.00 -0.01 0.00 0.00 56.01 56.55 2cui n LEU 90 Cb 0.45 -1.56 0.26 0.00 -0.11 0.00 0.00 43.42 42.46 2cui n LEU 90 CO 0.66 -0.80 0.66 -1.14 -1.51 0.00 0.00 177.39 175.26 2cui n ARG 91 N 8.80 3.35 0.00 3.23 0.00 -1.18 0.14 116.66 131.00 2cui n ARG 91 Ca 0.31 -2.02 0.00 0.00 -0.00 0.00 0.00 57.85 56.13 2cui n ARG 91 Cb 0.46 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 31.01 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 0.55 1.10 0.09 5.14 0.00 -1.26 -4.78 105.19 106.03 2cui n GLY 92 Ca 0.18 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.10 -5.69 1.61 0.13 -2.01 -3.46 132.00 122.48 2cui h PRO 93 Ca 0.00 0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.66 2cui h PRO 93 Cb 0.00 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 31.00 2cui h PRO 93 CO 0.00 0.35 -0.75 -3.38 -0.23 0.00 0.00 178.00 173.99 2cui s HIS 94 N -4.20 1.76 0.36 1.56 -3.43 -1.26 -5.12 115.29 104.96 2cui s HIS 94 Ca -0.15 -0.53 -0.28 0.00 -0.80 0.00 0.00 55.06 53.30 2cui s HIS 94 Cb 0.02 -0.83 -0.11 0.00 -1.43 0.00 0.00 32.58 30.22 2cui s HIS 94 CO 0.62 0.37 1.47 0.15 -2.00 0.00 0.00 174.74 175.35 2cui s LYS 95 N -3.38 4.15 -0.18 -0.38 1.02 -1.26 -3.11 119.74 116.60 2cui s LYS 95 Ca 0.21 2.52 -0.14 0.00 0.02 0.00 0.00 55.97 58.57 2cui s LYS 95 Cb -0.02 -2.99 -0.09 0.00 -0.52 0.00 0.00 37.83 34.21 2cui s LYS 95 CO 0.07 -0.49 -0.12 0.00 -0.92 0.00 0.00 175.35 173.89 2cui n ALA 96 N 0.69 0.69 -2.51 5.17 0.00 0.15 -4.82 120.51 119.89 2cui n ALA 96 Ca 0.02 -0.58 -0.25 0.00 0.00 0.00 0.00 53.44 52.62 2cui n ALA 96 Cb 0.39 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 -6.26 2.73 0.05 0.00 2.15 -1.23 -4.63 116.67 109.48 2cui s ASP 97 Ca -0.24 -1.63 -0.27 0.00 0.43 0.00 0.00 52.55 50.84 2cui s ASP 97 Cb 0.05 0.43 0.07 0.00 -0.30 0.00 0.00 42.92 43.17 2cui s ASP 97 CO 0.38 -0.89 0.65 -0.55 -0.17 0.00 0.00 175.17 174.59 2cui s SER 98 N -3.59 -0.62 0.02 -0.34 0.15 -1.26 -0.17 113.70 107.90 2cui s SER 98 Ca 0.25 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2cui s SER 98 Cb 0.03 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.89 2cui s SER 98 CO 0.14 -0.77 -0.03 -0.51 1.20 0.00 0.00 173.24 173.27 2cui s ILE 99 N -2.37 0.15 -0.27 6.45 2.07 -0.63 -4.87 121.20 121.73 2cui s ILE 99 Ca -0.05 -0.99 -0.05 0.00 -1.41 0.00 0.00 60.65 58.15 2cui s ILE 99 Cb -0.00 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.22 2cui s ILE 99 CO -0.01 -0.53 0.02 -1.10 -1.91 0.00 0.00 174.94 171.42 2cui s GLN 100 N -1.65 3.06 -0.13 3.50 -0.21 -1.26 -1.21 119.66 121.77 2cui s GLN 100 Ca -0.14 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.40 2cui s GLN 100 Cb -0.09 -3.21 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 2cui s GLN 100 CO -0.02 -0.39 -0.17 0.20 -2.12 0.00 0.00 175.29 172.79 2cui s GLY 101 N 1.45 1.45 -0.09 3.09 0.00 -0.66 -4.93 107.32 107.62 2cui s GLY 101 Ca 0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 2cui s GLY 101 CO -0.00 -0.16 0.02 -0.51 0.00 0.00 0.00 173.10 172.45 2cui s THR 102 N 0.50 4.49 -0.19 0.90 -4.23 -1.26 -1.28 115.64 114.57 2cui s THR 102 Ca -0.12 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.12 2cui s THR 102 Cb -0.16 -2.90 0.07 0.00 1.34 0.00 0.00 72.50 70.84 2cui s THR 102 CO 0.05 0.60 0.46 0.00 -0.54 0.00 0.00 174.62 175.19 2cui s ALA 103 N -0.84 -1.21 -0.31 3.99 0.00 -1.18 -4.76 121.76 117.45 2cui s ALA 103 Ca 0.13 1.68 -0.10 0.00 0.00 0.00 0.00 51.96 53.67 2cui s ALA 103 Cb -0.11 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2cui s ALA 103 CO 0.02 -0.36 0.16 0.50 0.00 0.00 0.00 175.76 176.08 2cui s ARG 104 N 1.63 3.37 1.36 0.00 3.52 -1.26 -1.84 118.95 125.74 2cui s ARG 104 Ca -0.09 -0.70 -0.20 0.00 -0.13 0.00 0.00 55.73 54.62 2cui s ARG 104 Cb -0.08 -3.58 0.34 0.00 -1.56 0.00 0.00 34.95 30.07 2cui s ARG 104 CO -0.14 -0.40 0.85 0.25 -0.81 0.00 0.00 175.30 175.05 2cui n THR 105 N 4.99 0.00 -3.82 4.11 -2.24 -0.89 -4.82 114.28 111.61 2cui n THR 105 Ca -0.14 -0.17 -0.21 0.00 -2.27 0.00 0.00 64.05 61.27 2cui n THR 105 Cb 0.49 -0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 67.76 2cui n THR 105 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cui s LEU 106 N -7.04 4.23 0.01 3.22 1.43 -1.19 -3.57 118.68 115.76 2cui s LEU 106 Ca 0.65 0.06 0.13 0.00 -1.03 0.00 0.00 54.13 53.94 2cui s LEU 106 Cb -0.16 -2.88 -0.20 0.00 0.03 0.00 0.00 46.19 42.98 2cui s LEU 106 CO 0.58 -0.16 0.80 0.77 0.23 0.00 0.00 176.35 178.57 2cui h SER 107 N 1.08 0.00 -3.66 2.29 4.64 -1.89 -2.18 113.55 113.83 2cui h SER 107 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2cui h SER 107 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2cui h SER 107 CO 0.59 0.89 -0.30 0.61 -0.87 0.00 0.00 176.83 177.75 2cui n GLY 108 N 1.48 -4.10 0.19 -0.77 0.00 -1.26 -4.85 105.19 95.89 2cui n GLY 108 Ca -0.13 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 1.23 0.00 -6.17 1.61 0.13 -2.04 -3.45 132.00 123.31 2cui h PRO 109 Ca 0.00 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.40 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 0.36 0.55 0.43 -0.23 0.00 0.00 178.00 179.11 2cui n SER 110 N -3.72 1.59 -4.87 1.44 7.64 -1.26 -4.93 113.62 109.51 2cui n SER 110 Ca -0.01 1.12 -0.33 0.00 1.01 0.00 0.00 58.87 60.66 2cui n SER 110 Cb 0.45 -1.11 -0.06 0.00 -1.01 0.00 0.00 64.21 62.48 2cui n SER 110 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cui s SER 111 N 1.56 6.68 0.00 6.43 0.01 -1.26 -5.20 113.70 121.93 2cui s SER 111 Ca 0.91 0.98 0.00 0.00 1.31 0.00 0.00 55.95 59.16 2cui s SER 111 Cb -1.08 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 62.90 2cui s SER 111 CO 0.57 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.79