#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 0.17 0.68 1.61 0.01 -1.26 -5.18 113.70 109.73 2cui s SER 2 Ca 0.00 -1.21 -0.00 0.00 1.31 0.00 0.00 55.95 56.04 2cui s SER 2 Cb 0.00 0.38 0.10 0.00 0.21 0.00 0.00 66.02 66.71 2cui s SER 2 CO 0.00 -0.84 0.94 -0.94 0.41 0.00 0.00 173.24 172.82 2cui s SER 3 N -3.08 4.57 0.00 2.44 1.04 -1.26 -4.94 113.70 112.47 2cui s SER 3 Ca 0.29 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2cui s SER 3 Cb 0.06 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2cui s SER 3 CO 0.07 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.21 2cui n GLY 4 N -2.72 -0.39 0.09 7.32 0.00 -1.26 -4.97 105.19 103.26 2cui n GLY 4 Ca 0.13 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 1.89 -2.37 1.61 2.88 -1.26 -4.52 113.62 111.85 2cui n SER 5 Ca 0.00 0.45 -0.35 0.00 -1.33 0.00 0.00 58.87 57.64 2cui n SER 5 Cb 0.00 -0.82 0.08 0.00 -0.75 0.00 0.00 64.21 62.71 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 -4.48 7.63 -4.58 -3.46 2.88 -1.26 -4.95 113.62 105.39 2cui n SER 6 Ca -0.20 -3.79 -0.42 0.00 -1.33 0.00 0.00 58.87 53.13 2cui n SER 6 Cb 0.50 -0.97 -0.06 0.00 -0.75 0.00 0.00 64.21 62.94 2cui n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cui s GLY 7 N -1.83 1.69 -0.33 0.46 0.00 -1.26 -4.98 107.32 101.07 2cui s GLY 7 Ca 0.64 -0.71 -0.35 0.00 0.00 0.00 0.00 44.72 44.30 2cui s GLY 7 CO -0.04 1.67 2.17 -1.26 0.00 0.00 0.00 173.10 175.64 2cui n SER 8 N 6.29 2.27 0.01 1.64 2.88 -1.26 -4.85 113.62 120.60 2cui n SER 8 Ca 0.02 0.43 -0.15 0.00 -1.33 0.00 0.00 58.87 57.83 2cui n SER 8 Cb 0.48 -1.29 -0.10 0.00 -0.75 0.00 0.00 64.21 62.56 2cui n SER 8 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2cui h ARG 9 N 12.35 -0.59 -6.29 -1.46 3.08 -1.98 -3.38 114.38 116.12 2cui h ARG 9 Ca -0.29 0.04 -0.57 0.00 0.07 0.00 0.00 59.98 59.23 2cui h ARG 9 Cb 1.31 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 2cui h ARG 9 CO 1.01 -0.39 1.14 -1.25 -1.07 0.00 0.00 179.97 179.41 2cui s PRO 10 N -5.73 3.75 0.28 0.04 0.04 -1.26 -5.00 135.00 127.13 2cui s PRO 10 Ca -0.16 1.62 0.09 0.00 0.04 0.00 0.00 61.00 62.59 2cui s PRO 10 Cb 0.07 -4.05 -0.06 0.00 0.04 0.00 0.00 34.50 30.51 2cui s PRO 10 CO 0.61 -1.35 -0.11 1.03 0.04 0.00 0.00 177.00 177.23 2cui s ARG 11 N 4.76 1.61 0.62 4.56 1.81 -1.26 -4.70 118.95 126.35 2cui s ARG 11 Ca 0.72 -1.79 -0.10 0.00 -1.72 0.00 0.00 55.73 52.84 2cui s ARG 11 Cb -0.24 -1.41 -0.02 0.00 -0.45 0.00 0.00 34.95 32.83 2cui s ARG 11 CO 0.30 0.14 1.01 -0.51 -0.68 0.00 0.00 175.30 175.55 2cui s LEU 12 N -3.48 3.20 0.57 2.53 1.43 -1.26 -4.73 118.68 116.94 2cui s LEU 12 Ca 0.29 1.23 0.09 0.00 -1.03 0.00 0.00 54.13 54.71 2cui s LEU 12 Cb 0.01 -4.19 0.08 0.00 0.03 0.00 0.00 46.19 42.12 2cui s LEU 12 CO 0.13 -0.97 0.72 -0.55 0.23 0.00 0.00 176.35 175.91 2cui s SER 13 N -4.23 5.00 -0.28 2.29 0.15 -1.00 -5.00 113.70 110.64 2cui s SER 13 Ca 0.55 -0.93 -0.32 0.00 0.70 0.00 0.00 55.95 55.94 2cui s SER 13 Cb -0.11 0.33 -0.09 0.00 -1.71 0.00 0.00 66.02 64.45 2cui s SER 13 CO 0.52 -1.30 2.19 0.00 1.20 0.00 0.00 173.24 175.85 2cui n GLN 14 N -2.15 1.51 -2.78 5.44 10.64 -1.26 -4.67 117.38 124.11 2cui n GLN 14 Ca 0.12 0.42 -0.43 0.00 -1.83 0.00 0.00 57.00 55.28 2cui n GLN 14 Cb 0.62 -2.82 -0.04 0.00 -0.86 0.00 0.00 30.24 27.15 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 7.65 3.97 0.27 2.61 2.96 -1.26 -4.67 118.68 130.22 2cui s LEU 15 Ca 1.05 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 54.59 2cui s LEU 15 Cb -0.62 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 2cui s LEU 15 CO 0.43 -1.37 0.30 -0.44 -1.32 0.00 0.00 176.35 173.95 2cui s SER 16 N 3.12 5.81 -0.18 3.68 0.01 -1.19 -4.57 113.70 120.39 2cui s SER 16 Ca 0.31 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.40 2cui s SER 16 Cb -0.12 -1.47 0.02 0.00 0.21 0.00 0.00 66.02 64.66 2cui s SER 16 CO 0.18 -0.15 -0.19 -0.69 0.41 0.00 0.00 173.24 172.80 2cui s VAL 17 N -2.11 2.20 0.34 3.43 1.01 -1.26 -2.42 120.40 121.59 2cui s VAL 17 Ca 0.36 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.54 2cui s VAL 17 Cb -0.08 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 2cui s VAL 17 CO 0.27 0.53 -0.06 0.42 0.00 0.00 0.00 175.10 176.26 2cui s THR 18 N 1.22 2.39 -1.55 3.92 -4.23 -0.52 -4.70 115.64 112.17 2cui s THR 18 Ca 0.03 -2.13 -0.05 0.00 -1.18 0.00 0.00 61.69 58.36 2cui s THR 18 Cb -0.14 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 71.03 2cui s THR 18 CO -0.10 -0.21 0.58 0.47 -0.54 0.00 0.00 174.62 174.82 2cui n ASP 19 N -0.84 -5.97 -4.47 3.99 9.92 -1.26 -1.87 116.55 116.04 2cui n ASP 19 Ca -0.05 -0.28 -0.44 0.00 -0.53 0.00 0.00 54.79 53.49 2cui n ASP 19 Cb 0.63 -4.84 -0.10 0.00 -0.64 0.00 0.00 41.12 36.17 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 -4.47 0.02 -2.22 2.53 0.31 -1.26 -4.43 118.33 108.81 2cui n VAL 20 Ca -0.11 -0.24 -0.29 0.00 -0.01 0.00 0.00 64.34 63.69 2cui n VAL 20 Cb 0.62 -1.27 0.02 0.00 -0.91 0.00 0.00 33.84 32.30 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 9.03 4.23 0.22 2.52 2.01 0.64 -4.64 115.64 129.64 2cui s THR 21 Ca 1.20 0.38 -0.08 0.00 0.31 0.00 0.00 61.69 63.50 2cui s THR 21 Cb -0.96 -3.68 0.17 0.00 0.01 0.00 0.00 72.50 68.05 2cui s THR 21 CO 0.46 -0.78 1.74 0.71 -0.69 0.00 0.00 174.62 176.06 2cui h THR 22 N -0.20 0.74 0.00 -0.82 1.35 -1.91 -3.00 112.91 109.07 2cui h THR 22 Ca -0.45 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2cui h THR 22 Cb 1.22 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2cui h THR 22 CO 0.62 0.08 -0.14 -1.20 -0.25 0.00 0.00 175.52 174.63 2cui n SER 23 N -5.00 1.44 -3.00 5.36 7.64 -1.26 -3.37 113.62 115.44 2cui n SER 23 Ca 0.10 -2.44 -0.11 0.00 1.01 0.00 0.00 58.87 57.43 2cui n SER 23 Cb 0.32 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2cui n SER 23 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cui s SER 24 N -1.82 0.41 0.11 6.43 1.04 -1.15 -0.65 113.70 118.06 2cui s SER 24 Ca 0.15 -1.31 -0.22 0.00 0.48 0.00 0.00 55.95 55.05 2cui s SER 24 Cb 0.14 0.79 0.08 0.00 0.10 0.00 0.00 66.02 67.12 2cui s SER 24 CO 0.01 -1.56 1.03 0.00 0.98 0.00 0.00 173.24 173.71 2cui n LEU 25 N -0.55 0.00 -4.16 2.42 -0.00 -1.13 0.23 117.00 113.81 2cui n LEU 25 Ca -0.05 -1.03 -0.17 0.00 -0.00 0.00 0.00 56.01 54.76 2cui n LEU 25 Cb 0.60 2.31 -0.12 0.00 -0.00 0.00 0.00 43.42 46.22 2cui n LEU 25 CO 0.28 -0.34 -0.44 -0.60 -0.00 0.00 0.00 177.39 176.29 2cui s ARG 26 N -2.04 0.80 0.27 1.47 3.52 -0.78 -2.96 118.95 119.23 2cui s ARG 26 Ca 0.23 -0.99 0.11 0.00 -0.13 0.00 0.00 55.73 54.96 2cui s ARG 26 Cb -0.02 -0.70 -0.05 0.00 -1.56 0.00 0.00 34.95 32.62 2cui s ARG 26 CO 0.03 0.14 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.97 2cui s LEU 27 N -1.91 2.59 -0.24 -0.88 1.43 0.01 -1.43 118.68 118.25 2cui s LEU 27 Ca -0.01 -1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 51.99 2cui s LEU 27 Cb -0.08 -1.01 0.11 0.00 0.03 0.00 0.00 46.19 45.24 2cui s LEU 27 CO 0.02 -0.02 0.49 0.20 0.23 0.00 0.00 176.35 177.27 2cui s ASN 28 N -3.48 -0.51 0.03 2.29 0.01 -1.01 -3.68 114.94 108.59 2cui s ASN 28 Ca 0.29 1.05 0.04 0.00 -0.71 0.00 0.00 52.86 53.52 2cui s ASN 28 Cb -0.04 1.63 -0.02 0.00 0.41 0.00 0.00 41.25 43.24 2cui s ASN 28 CO 0.13 -0.24 -0.12 -1.66 -1.51 0.00 0.00 177.10 173.70 2cui s TRP 29 N 2.70 1.07 -0.15 2.20 -2.14 -1.22 -3.16 118.94 118.24 2cui s TRP 29 Ca 0.01 -0.33 -0.09 0.00 2.66 0.00 0.00 56.10 58.34 2cui s TRP 29 Cb -0.13 -0.65 -0.05 0.00 -3.10 0.00 0.00 33.47 29.55 2cui s TRP 29 CO -0.15 0.01 0.16 -2.00 -2.66 0.00 0.00 176.95 172.31 2cui s GLU 30 N -1.01 3.88 -0.01 3.25 2.12 -1.26 -4.72 118.70 120.95 2cui s GLU 30 Ca 0.01 -0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.18 2cui s GLU 30 Cb -0.07 -3.32 -0.00 0.00 0.26 0.00 0.00 34.13 31.00 2cui s GLU 30 CO 0.01 0.51 0.07 0.00 -0.54 0.00 0.00 175.26 175.31 2cui s ALA 31 N -0.26 -0.16 0.94 6.30 0.00 -1.26 -2.37 121.76 124.95 2cui s ALA 31 Ca 0.12 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 2cui s ALA 31 Cb -0.12 0.01 0.16 0.00 0.00 0.00 0.00 23.12 23.17 2cui s ALA 31 CO 0.02 -0.12 1.09 -1.25 0.00 0.00 0.00 175.76 175.50 2cui s PRO 32 N -0.79 0.88 0.38 0.00 0.04 -1.26 -5.00 135.00 129.25 2cui s PRO 32 Ca -0.09 0.68 -0.26 0.00 0.04 0.00 0.00 61.00 61.38 2cui s PRO 32 Cb -0.05 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 2cui s PRO 32 CO 0.00 -2.46 1.20 -1.25 0.04 0.00 0.00 177.00 174.52 2cui s PRO 33 N -4.95 4.12 -1.29 0.56 0.04 -1.26 -3.19 135.00 129.04 2cui s PRO 33 Ca 0.64 1.92 -0.06 0.00 0.04 0.00 0.00 61.00 63.54 2cui s PRO 33 Cb -0.18 -2.77 0.04 0.00 0.04 0.00 0.00 34.50 31.63 2cui s PRO 33 CO 0.57 -0.29 0.38 0.41 0.04 0.00 0.00 177.00 178.11 2cui n GLY 34 N 0.70 -0.50 0.06 0.56 0.00 -1.26 -4.88 105.19 99.88 2cui n GLY 34 Ca 0.03 0.07 -0.06 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 0.99 0.03 -3.09 4.61 0.00 -1.94 -3.48 119.26 116.37 2cui h ALA 35 Ca -0.41 -0.33 -0.39 0.00 0.00 0.00 0.00 54.91 53.77 2cui h ALA 35 Cb 1.29 0.20 -0.20 0.00 0.00 0.00 0.00 17.79 19.08 2cui h ALA 35 CO 0.49 0.20 -0.76 -0.06 0.00 0.00 0.00 179.25 179.12 2cui s PHE 36 N -1.92 1.23 0.02 0.00 0.40 -1.26 -4.75 117.98 111.69 2cui s PHE 36 Ca -0.10 -0.53 -0.20 0.00 -0.60 0.00 0.00 56.93 55.49 2cui s PHE 36 Cb 0.01 -0.67 -0.19 0.00 0.51 0.00 0.00 43.02 42.67 2cui s PHE 36 CO 0.23 0.07 1.20 -0.44 0.70 0.00 0.00 175.22 176.98 2cui h ASP 37 N 3.88 0.45 -3.79 1.36 5.19 0.52 -3.36 116.42 120.67 2cui h ASP 37 Ca -0.40 -0.65 -0.28 0.00 -0.62 0.00 0.00 57.03 55.09 2cui h ASP 37 Cb 1.19 -0.13 -0.07 0.00 0.18 0.00 0.00 39.33 40.50 2cui h ASP 37 CO 0.46 1.02 -0.21 -1.54 -3.12 0.00 0.00 179.24 175.86 2cui n SER 38 N -4.38 -0.89 -3.81 6.45 3.41 -0.31 -2.41 113.62 111.68 2cui n SER 38 Ca -0.08 -2.60 -0.21 0.00 -0.26 0.00 0.00 58.87 55.71 2cui n SER 38 Cb 0.52 1.77 -0.17 0.00 -0.26 0.00 0.00 64.21 66.08 2cui n SER 38 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2cui s PHE 39 N -3.23 0.63 -0.30 7.33 0.08 0.58 -1.56 117.98 121.51 2cui s PHE 39 Ca 0.26 -0.15 -0.03 0.00 0.12 0.00 0.00 56.93 57.14 2cui s PHE 39 Cb 0.00 -0.71 0.05 0.00 -0.57 0.00 0.00 43.02 41.78 2cui s PHE 39 CO 0.19 -0.27 0.01 -1.17 -0.10 0.00 0.00 175.22 173.88 2cui s LEU 40 N 1.59 3.89 -0.18 -0.37 2.96 -0.50 -1.88 118.68 124.20 2cui s LEU 40 Ca -0.01 -1.20 -0.14 0.00 -0.22 0.00 0.00 54.13 52.56 2cui s LEU 40 Cb -0.13 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 2cui s LEU 40 CO -0.03 -0.26 0.29 -0.22 -1.32 0.00 0.00 176.35 174.81 2cui s LEU 41 N 1.29 4.21 -0.22 -0.68 2.96 -1.07 -0.52 118.68 124.65 2cui s LEU 41 Ca -0.04 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2cui s LEU 41 Cb -0.19 -2.35 0.04 0.00 0.50 0.00 0.00 46.19 44.18 2cui s LEU 41 CO -0.01 0.07 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.82 2cui s ARG 42 N 0.67 2.65 -0.21 1.98 0.52 -0.36 -1.66 118.95 122.53 2cui s ARG 42 Ca 0.15 -1.07 -0.03 0.00 -0.52 0.00 0.00 55.73 54.26 2cui s ARG 42 Cb -0.13 -2.75 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 2cui s ARG 42 CO 0.04 -0.39 -0.06 -0.59 0.02 0.00 0.00 175.30 174.33 2cui s PHE 43 N 1.21 2.94 0.19 -0.53 -0.71 -1.23 -1.58 117.98 118.28 2cui s PHE 43 Ca -0.02 -0.96 0.06 0.00 -1.04 0.00 0.00 56.93 54.98 2cui s PHE 43 Cb -0.16 -2.08 -0.05 0.00 -1.21 0.00 0.00 43.02 39.52 2cui s PHE 43 CO -0.09 -0.54 -0.12 0.20 -1.34 0.00 0.00 175.22 173.34 2cui s GLY 44 N 1.40 1.33 -0.41 1.99 0.00 -1.11 -4.41 107.32 106.12 2cui s GLY 44 Ca 0.05 -1.62 -0.29 0.00 0.00 0.00 0.00 44.72 42.86 2cui s GLY 44 CO -0.03 -1.70 1.25 0.14 0.00 0.00 0.00 173.10 172.75 2cui s VAL 45 N -3.12 4.13 -0.39 1.40 1.01 -1.26 -3.02 120.40 119.15 2cui s VAL 45 Ca 0.21 1.19 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 2cui s VAL 45 Cb 0.01 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 2cui s VAL 45 CO 0.05 -0.78 1.72 -2.16 0.00 0.00 0.00 175.10 173.93 2cui s PRO 46 N 4.48 3.29 -0.11 2.72 0.04 -1.26 -4.99 135.00 139.17 2cui s PRO 46 Ca 0.53 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 2cui s PRO 46 Cb -0.11 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.21 2cui s PRO 46 CO 0.29 -1.92 -0.05 -1.54 0.04 0.00 0.00 177.00 173.82 2cui s SER 47 N 5.89 4.74 0.65 6.66 1.04 -1.26 -5.06 113.70 126.36 2cui s SER 47 Ca 0.74 -0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.96 2cui s SER 47 Cb -0.19 -1.46 -0.01 0.00 0.10 0.00 0.00 66.02 64.46 2cui s SER 47 CO 0.32 0.28 1.11 -2.16 0.98 0.00 0.00 173.24 173.77 2cui s PRO 48 N -0.32 2.85 0.25 4.02 0.04 -1.26 -4.97 135.00 135.62 2cui s PRO 48 Ca 0.05 1.41 0.23 0.00 0.04 0.00 0.00 61.00 62.72 2cui s PRO 48 Cb -0.12 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.52 2cui s PRO 48 CO 0.02 -1.21 1.15 0.77 0.04 0.00 0.00 177.00 177.77 2cui h SER 49 N 0.14 0.00 0.43 6.66 0.02 -2.01 -3.33 113.55 115.46 2cui h SER 49 Ca -0.47 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.34 2cui h SER 49 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2cui h SER 49 CO 0.54 0.00 -0.59 0.71 -1.14 0.00 0.00 176.83 176.36 2cui h THR 50 N 0.00 1.39 -1.71 -2.27 1.35 -2.06 -3.45 112.91 106.17 2cui h THR 50 Ca -0.00 -1.97 -0.45 0.00 -0.55 0.00 0.00 66.41 63.44 2cui h THR 50 Cb 1.00 2.01 -0.00 0.00 -1.73 0.00 0.00 68.15 69.43 2cui h THR 50 CO 0.00 0.57 -0.35 -0.76 -0.25 0.00 0.00 175.52 174.74 2cui s LEU 51 N -7.86 3.78 0.13 3.87 2.01 -1.25 -5.11 118.68 114.24 2cui s LEU 51 Ca -0.03 -0.35 -0.09 0.00 0.01 0.00 0.00 54.13 53.67 2cui s LEU 51 Cb 0.12 -2.57 -0.06 0.00 0.01 0.00 0.00 46.19 43.70 2cui s LEU 51 CO 0.78 -0.51 0.44 -1.61 1.01 0.00 0.00 176.35 176.46 2cui s GLU 52 N -4.17 3.75 0.47 1.70 0.41 -1.26 -4.84 118.70 114.76 2cui s GLU 52 Ca 0.47 0.16 -0.22 0.00 -0.41 0.00 0.00 54.97 54.96 2cui s GLU 52 Cb -0.08 -2.89 -0.07 0.00 -1.78 0.00 0.00 34.13 29.31 2cui s GLU 52 CO 0.30 0.48 1.16 -1.25 -0.49 0.00 0.00 175.26 175.47 2cui s PRO 53 N -2.27 3.69 0.36 0.39 0.04 -1.26 -5.01 135.00 130.94 2cui s PRO 53 Ca 0.38 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.91 2cui s PRO 53 Cb -0.13 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 2cui s PRO 53 CO 0.20 -0.60 1.04 -1.01 0.04 0.00 0.00 177.00 176.68 2cui s HIS 54 N -1.58 3.42 -2.00 0.56 3.76 -1.26 -4.91 115.29 113.27 2cui s HIS 54 Ca 0.65 1.68 0.11 0.00 -0.15 0.00 0.00 55.06 57.35 2cui s HIS 54 Cb -0.28 -3.13 0.64 0.00 1.11 0.00 0.00 32.58 30.93 2cui s HIS 54 CO 0.33 -0.45 1.08 -0.35 -0.85 0.00 0.00 174.74 174.50 2cui n PRO 55 N 0.33 0.49 -2.90 8.40 -0.04 -1.26 -4.75 135.00 135.28 2cui n PRO 55 Ca 0.03 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.09 2cui n PRO 55 Cb 0.49 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.00 4.58 0.03 0.54 3.52 -1.26 -5.02 118.95 119.34 2cui s ARG 56 Ca 0.16 1.21 -0.30 0.00 -0.13 0.00 0.00 55.73 56.67 2cui s ARG 56 Cb 0.07 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 2cui s ARG 56 CO 0.12 0.30 1.42 -1.25 -0.81 0.00 0.00 175.30 175.08 2cui s PRO 57 N -0.18 4.29 -0.20 5.12 0.04 -1.26 -5.02 135.00 137.79 2cui s PRO 57 Ca 0.41 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.47 2cui s PRO 57 Cb -0.22 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 30.84 2cui s PRO 57 CO 0.26 -0.55 -0.15 -0.48 0.04 0.00 0.00 177.00 176.11 2cui s LEU 58 N 2.12 2.42 0.21 -3.56 2.34 -1.26 -5.12 118.68 115.83 2cui s LEU 58 Ca 0.65 -0.63 -0.08 0.00 0.06 0.00 0.00 54.13 54.13 2cui s LEU 58 Cb -0.33 -1.55 -0.07 0.00 -0.56 0.00 0.00 46.19 43.67 2cui s LEU 58 CO 0.28 -0.02 0.50 -0.76 -1.06 0.00 0.00 176.35 175.29 2cui s LEU 59 N 1.33 4.20 0.17 1.48 1.02 -1.26 -5.10 118.68 120.52 2cui s LEU 59 Ca 0.04 0.83 0.06 0.00 0.02 0.00 0.00 54.13 55.09 2cui s LEU 59 Cb -0.14 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.45 2cui s LEU 59 CO -0.10 -0.04 0.06 -1.10 0.02 0.00 0.00 176.35 175.19 2cui s GLN 60 N -2.77 2.62 0.07 1.70 1.11 -1.26 -5.00 119.66 116.13 2cui s GLN 60 Ca 0.46 -1.01 -0.13 0.00 0.01 0.00 0.00 55.36 54.69 2cui s GLN 60 Cb -0.11 -2.48 0.02 0.00 -1.01 0.00 0.00 33.01 29.42 2cui s GLN 60 CO 0.22 0.47 0.29 0.50 0.01 0.00 0.00 175.29 176.78 2cui s ARG 61 N -3.02 0.87 0.03 2.91 3.52 -1.26 -5.13 118.95 116.87 2cui s ARG 61 Ca 0.29 -0.68 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 2cui s ARG 61 Cb -0.10 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.65 2cui s ARG 61 CO 0.21 -0.29 0.03 -1.83 -0.81 0.00 0.00 175.30 172.61 2cui s GLU 62 N -3.18 0.50 0.18 5.12 1.03 -1.26 -3.48 118.70 117.61 2cui s GLU 62 Ca -0.01 -0.79 0.04 0.00 0.03 0.00 0.00 54.97 54.25 2cui s GLU 62 Cb 0.01 0.19 -0.04 0.00 -0.80 0.00 0.00 34.13 33.49 2cui s GLU 62 CO -0.07 -0.11 0.23 -1.17 -1.33 0.00 0.00 175.26 172.81 2cui s LEU 63 N -2.04 4.08 -0.12 1.83 2.96 -0.66 -4.92 118.68 119.80 2cui s LEU 63 Ca -0.06 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2cui s LEU 63 Cb -0.02 -2.66 0.01 0.00 0.50 0.00 0.00 46.19 44.01 2cui s LEU 63 CO -0.04 0.03 -0.22 -0.32 -1.32 0.00 0.00 176.35 174.48 2cui s MET 64 N -3.34 2.90 -0.15 1.98 1.75 -1.26 -2.58 119.30 118.60 2cui s MET 64 Ca 0.33 -0.82 -0.10 0.00 -1.25 0.00 0.00 55.69 53.85 2cui s MET 64 Cb -0.10 -2.28 0.05 0.00 2.84 0.00 0.00 34.83 35.34 2cui s MET 64 CO 0.26 0.06 0.36 0.08 -0.65 0.00 0.00 175.02 175.14 2cui s VAL 65 N 0.63 -0.02 0.63 10.11 1.01 -0.79 -4.99 120.40 126.98 2cui s VAL 65 Ca -0.12 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 2cui s VAL 65 Cb -0.17 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 2cui s VAL 65 CO 0.03 0.03 1.11 -2.16 0.00 0.00 0.00 175.10 174.11 2cui s PRO 66 N 0.87 2.93 0.36 2.72 0.04 -1.26 0.22 135.00 140.87 2cui s PRO 66 Ca -0.05 1.44 0.14 0.00 0.04 0.00 0.00 61.00 62.56 2cui s PRO 66 Cb -0.06 -1.96 0.99 0.00 0.04 0.00 0.00 34.50 33.51 2cui s PRO 66 CO -0.06 -1.16 1.76 0.78 0.04 0.00 0.00 177.00 178.36 2cui h GLY 67 N 0.30 1.52 2.00 0.56 0.00 -1.63 0.58 103.07 106.39 2cui h GLY 67 Ca -0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 2cui h GLY 67 CO 0.55 -0.17 -0.04 0.00 0.00 0.00 0.00 176.54 176.88 2cui h THR 68 N 0.50 0.60 -3.35 4.70 1.03 -1.86 -3.40 112.91 111.13 2cui h THR 68 Ca 0.61 -0.17 -0.65 0.00 -0.01 0.00 0.00 66.41 66.19 2cui h THR 68 Cb 1.35 1.11 -0.26 0.00 -1.07 0.00 0.00 68.15 69.27 2cui h THR 68 CO -0.37 0.04 -0.72 -0.13 -0.01 0.00 0.00 175.52 174.33 2cui s ARG 69 N -4.55 3.44 -0.66 0.00 0.52 0.20 -5.04 118.95 112.86 2cui s ARG 69 Ca -0.04 -0.62 0.05 0.00 -0.52 0.00 0.00 55.73 54.60 2cui s ARG 69 Cb 0.15 -2.87 0.27 0.00 0.52 0.00 0.00 34.95 33.02 2cui s ARG 69 CO 0.57 0.03 0.86 0.72 0.02 0.00 0.00 175.30 177.50 2cui n HIS 70 N 4.12 3.64 -3.97 -0.53 8.25 -1.26 -4.28 115.22 121.20 2cui n HIS 70 Ca -0.18 -3.99 -0.09 0.00 -0.26 0.00 0.00 57.72 53.20 2cui n HIS 70 Cb 0.52 -0.60 -0.10 0.00 1.12 0.00 0.00 29.99 30.92 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 -2.64 0.24 -0.23 0.41 1.04 -1.26 -3.46 113.70 107.80 2cui s SER 71 Ca 0.41 -0.55 -0.09 0.00 0.48 0.00 0.00 55.95 56.20 2cui s SER 71 Cb 0.17 0.16 0.10 0.00 0.10 0.00 0.00 66.02 66.55 2cui s SER 71 CO -0.03 -0.42 0.51 0.00 0.98 0.00 0.00 173.24 174.28 2cui s ALA 72 N -2.16 -1.47 -0.17 5.32 0.00 -1.24 -4.87 121.76 117.17 2cui s ALA 72 Ca -0.09 1.84 0.01 0.00 0.00 0.00 0.00 51.96 53.72 2cui s ALA 72 Cb -0.04 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.67 2cui s ALA 72 CO -0.03 -0.72 -0.20 0.08 0.00 0.00 0.00 175.76 174.89 2cui s VAL 73 N 2.47 2.04 -0.07 0.00 1.01 -1.26 -0.81 120.40 123.78 2cui s VAL 73 Ca -0.05 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 2cui s VAL 73 Cb -0.11 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2cui s VAL 73 CO -0.15 0.54 0.14 -0.76 0.00 0.00 0.00 175.10 174.87 2cui s LEU 74 N 1.18 4.29 0.33 3.92 2.01 -1.16 -4.97 118.68 124.30 2cui s LEU 74 Ca 0.02 0.38 0.03 0.00 0.01 0.00 0.00 54.13 54.57 2cui s LEU 74 Cb -0.14 -2.26 -0.04 0.00 0.01 0.00 0.00 46.19 43.76 2cui s LEU 74 CO -0.10 0.35 0.11 -0.13 1.01 0.00 0.00 176.35 177.58 2cui s ARG 75 N -1.39 1.68 -1.47 1.70 0.52 -1.26 -2.83 118.95 115.90 2cui s ARG 75 Ca 0.20 -1.97 0.00 0.00 -0.52 0.00 0.00 55.73 53.44 2cui s ARG 75 Cb -0.12 -0.50 0.00 0.00 0.52 0.00 0.00 34.95 34.85 2cui s ARG 75 CO 0.10 -0.36 0.00 -3.47 0.02 0.00 0.00 175.30 171.59 2cui n ASP 76 N -0.89 -4.79 -4.88 0.23 2.03 -1.20 -4.96 116.55 102.09 2cui n ASP 76 Ca -0.02 0.13 -0.30 0.00 0.52 0.00 0.00 54.79 55.12 2cui n ASP 76 Cb 0.66 -3.83 -0.03 0.00 -0.72 0.00 0.00 41.12 37.20 2cui n ASP 76 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2cui s LEU 77 N -4.21 3.79 0.42 -2.67 1.43 0.18 -5.06 118.68 112.56 2cui s LEU 77 Ca 0.00 1.12 -0.22 0.00 -1.03 0.00 0.00 54.13 54.00 2cui s LEU 77 Cb 0.00 -4.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.10 2cui s LEU 77 CO 0.00 -0.44 0.99 -0.60 0.23 0.00 0.00 176.35 176.53 2cui s ARG 78 N -3.99 4.18 0.41 1.70 3.00 -1.26 -4.45 118.95 118.54 2cui s ARG 78 Ca 0.51 1.28 -0.25 0.00 -1.00 0.00 0.00 55.73 56.27 2cui s ARG 78 Cb -0.10 -2.33 -0.08 0.00 0.00 0.00 0.00 34.95 32.44 2cui s ARG 78 CO 0.33 -0.09 1.18 -1.12 0.00 0.00 0.00 175.30 175.61 2cui s SER 79 N -1.93 6.47 -1.11 -2.12 0.01 -1.26 -3.78 113.70 109.98 2cui s SER 79 Ca 0.60 2.36 -0.24 0.00 1.31 0.00 0.00 55.95 59.99 2cui s SER 79 Cb -0.15 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.49 2cui s SER 79 CO 0.19 -0.71 0.71 0.61 0.41 0.00 0.00 173.24 174.44 2cui n GLY 80 N 0.61 -0.98 3.08 3.44 0.00 -0.91 -4.86 105.19 105.57 2cui n GLY 80 Ca 0.05 0.42 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.40 0.01 -0.16 2.61 2.01 -1.25 -4.95 115.64 110.51 2cui s THR 81 Ca 0.40 -0.11 -0.20 0.00 0.31 0.00 0.00 61.69 62.09 2cui s THR 81 Cb -0.19 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 2cui s THR 81 CO 0.92 -0.06 0.57 -0.22 -0.69 0.00 0.00 174.62 175.13 2cui s LEU 82 N -0.15 4.20 -0.04 4.42 1.98 -1.26 -2.12 118.68 125.70 2cui s LEU 82 Ca -0.02 0.82 0.04 0.00 -2.89 0.00 0.00 54.13 52.07 2cui s LEU 82 Cb -0.02 -2.81 -0.03 0.00 0.66 0.00 0.00 46.19 43.99 2cui s LEU 82 CO 0.01 -0.16 -0.15 -0.31 -1.89 0.00 0.00 176.35 173.85 2cui s TYR 83 N 1.39 2.69 -0.50 5.38 1.51 -1.09 -4.56 117.35 122.18 2cui s TYR 83 Ca 0.28 -0.17 -0.20 0.00 -1.01 0.00 0.00 57.07 55.97 2cui s TYR 83 Cb -0.16 -1.62 0.05 0.00 -0.11 0.00 0.00 41.96 40.13 2cui s TYR 83 CO 0.11 0.19 0.65 0.45 -1.11 0.00 0.00 175.55 175.84 2cui s SER 84 N -0.77 6.25 -0.16 2.29 0.15 -1.17 -3.45 113.70 116.84 2cui s SER 84 Ca 0.12 -0.76 -0.13 0.00 0.70 0.00 0.00 55.95 55.87 2cui s SER 84 Cb -0.11 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.85 2cui s SER 84 CO 0.01 -0.89 0.28 -0.76 1.20 0.00 0.00 173.24 173.07 2cui s LEU 85 N 2.76 4.25 -0.26 3.45 1.43 -1.00 -2.73 118.68 126.57 2cui s LEU 85 Ca 0.17 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2cui s LEU 85 Cb -0.18 -2.35 0.08 0.00 0.03 0.00 0.00 46.19 43.78 2cui s LEU 85 CO 0.14 0.12 0.07 -0.89 0.23 0.00 0.00 176.35 176.02 2cui s THR 86 N 0.37 0.65 0.35 5.49 2.01 -0.62 -1.00 115.64 122.89 2cui s THR 86 Ca 0.16 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.00 2cui s THR 86 Cb -0.13 -1.35 -0.09 0.00 0.01 0.00 0.00 72.50 70.94 2cui s THR 86 CO 0.04 -0.49 0.78 -0.22 -0.69 0.00 0.00 174.62 174.04 2cui s LEU 87 N 1.76 4.03 -0.10 4.42 2.96 -0.38 -1.23 118.68 130.14 2cui s LEU 87 Ca 0.05 1.36 0.00 0.00 -0.22 0.00 0.00 54.13 55.33 2cui s LEU 87 Cb -0.17 -4.18 0.02 0.00 0.50 0.00 0.00 46.19 42.36 2cui s LEU 87 CO -0.20 -0.24 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.19 2cui s TYR 88 N -2.03 1.50 -1.09 5.38 2.02 0.33 -1.65 117.35 121.80 2cui s TYR 88 Ca 0.56 -0.71 -0.20 0.00 -0.37 0.00 0.00 57.07 56.35 2cui s TYR 88 Cb -0.10 -1.20 0.09 0.00 -0.40 0.00 0.00 41.96 40.34 2cui s TYR 88 CO 0.17 -0.46 1.44 0.20 -1.57 0.00 0.00 175.55 175.33 2cui s GLY 89 N 1.45 1.63 -0.37 0.71 0.00 0.47 -1.41 107.32 109.80 2cui s GLY 89 Ca 0.00 -2.65 -0.28 0.00 0.00 0.00 0.00 44.72 41.79 2cui s GLY 89 CO -0.06 2.47 1.90 1.08 0.00 0.00 0.00 173.10 178.49 2cui s LEU 90 N 3.91 3.46 -0.05 0.66 2.01 -0.60 -0.35 118.68 127.71 2cui s LEU 90 Ca 0.44 1.20 0.09 0.00 0.01 0.00 0.00 54.13 55.87 2cui s LEU 90 Cb -0.00 -3.28 0.34 0.00 0.01 0.00 0.00 46.19 43.25 2cui s LEU 90 CO -0.05 -1.92 1.19 -2.11 1.01 0.00 0.00 176.35 174.47 2cui n ARG 91 N 8.62 2.23 0.00 1.70 1.85 -1.19 0.11 116.66 129.98 2cui n ARG 91 Ca 0.24 -1.35 0.00 0.00 -1.00 0.00 0.00 57.85 55.74 2cui n ARG 91 Cb 0.48 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.38 2cui n ARG 91 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2cui n GLY 92 N 0.75 0.96 0.09 2.89 0.00 -1.26 -4.44 105.19 104.17 2cui n GLY 92 Ca 0.12 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.09 -5.72 1.61 0.13 -2.01 -3.46 132.00 122.46 2cui h PRO 93 Ca 0.00 0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.37 -0.75 -1.01 -0.23 0.00 0.00 178.00 176.37 2cui s HIS 94 N -4.19 1.78 0.44 1.56 3.76 -1.26 -5.12 115.29 112.26 2cui s HIS 94 Ca -0.15 -0.52 -0.25 0.00 -0.15 0.00 0.00 55.06 53.99 2cui s HIS 94 Cb 0.02 -0.84 -0.08 0.00 1.11 0.00 0.00 32.58 32.78 2cui s HIS 94 CO 0.63 0.37 1.35 0.15 -0.85 0.00 0.00 174.74 176.39 2cui s LYS 95 N -3.35 3.77 -0.22 1.40 1.02 -1.26 -3.20 119.74 117.89 2cui s LYS 95 Ca 0.21 2.25 -0.16 0.00 0.02 0.00 0.00 55.97 58.28 2cui s LYS 95 Cb -0.03 -2.65 -0.12 0.00 -0.52 0.00 0.00 37.83 34.51 2cui s LYS 95 CO 0.07 -0.69 -0.17 0.00 -0.92 0.00 0.00 175.35 173.65 2cui n ALA 96 N -0.14 0.92 -2.37 5.17 0.00 0.52 -4.83 120.51 119.78 2cui n ALA 96 Ca 0.05 -0.78 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 2cui n ALA 96 Cb 0.43 -0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.68 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 -6.80 1.70 -0.19 0.00 -4.77 -1.24 -4.86 116.67 100.51 2cui s ASP 97 Ca -0.31 -1.50 -0.09 0.00 -3.30 0.00 0.00 52.55 47.36 2cui s ASP 97 Cb 0.09 0.28 0.07 0.00 -1.09 0.00 0.00 42.92 42.27 2cui s ASP 97 CO 0.47 -0.81 0.43 -0.94 0.70 0.00 0.00 175.17 175.02 2cui s SER 98 N -3.40 -0.43 0.03 2.11 1.04 -1.26 -0.40 113.70 111.40 2cui s SER 98 Ca 0.35 0.98 0.02 0.00 0.48 0.00 0.00 55.95 57.78 2cui s SER 98 Cb 0.06 1.08 -0.04 0.00 0.10 0.00 0.00 66.02 67.22 2cui s SER 98 CO 0.16 -0.21 0.02 -0.51 0.98 0.00 0.00 173.24 173.67 2cui s ILE 99 N 1.97 4.23 -0.21 -1.02 1.10 -0.66 -4.94 121.20 121.66 2cui s ILE 99 Ca -0.06 -0.70 -0.03 0.00 -0.51 0.00 0.00 60.65 59.34 2cui s ILE 99 Cb -0.10 -2.95 -0.01 0.00 0.15 0.00 0.00 42.46 39.56 2cui s ILE 99 CO -0.13 0.27 -0.05 -1.10 -2.11 0.00 0.00 174.94 171.82 2cui s GLN 100 N -1.88 3.36 -0.14 3.50 -0.21 -1.26 -1.25 119.66 121.78 2cui s GLN 100 Ca 0.23 -0.63 -0.00 0.00 0.02 0.00 0.00 55.36 54.97 2cui s GLN 100 Cb -0.12 -2.97 0.03 0.00 1.00 0.00 0.00 33.01 30.95 2cui s GLN 100 CO 0.14 -0.18 -0.07 0.20 -2.12 0.00 0.00 175.29 173.27 2cui s GLY 101 N 1.41 0.89 -0.07 3.09 0.00 -0.17 -4.78 107.32 107.69 2cui s GLY 101 Ca 0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 44.72 43.98 2cui s GLY 101 CO -0.03 0.86 0.28 -0.51 0.00 0.00 0.00 173.10 173.69 2cui s THR 102 N 1.67 5.27 -0.13 0.90 -4.23 -1.26 -2.38 115.64 115.48 2cui s THR 102 Ca 0.03 0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 61.00 2cui s THR 102 Cb -0.14 -3.56 0.05 0.00 1.34 0.00 0.00 72.50 70.19 2cui s THR 102 CO -0.08 0.58 0.30 0.00 -0.54 0.00 0.00 174.62 174.88 2cui s ALA 103 N -0.91 -0.73 -0.30 3.99 0.00 -1.22 -4.80 121.76 117.78 2cui s ALA 103 Ca 0.19 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 2cui s ALA 103 Cb -0.14 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2cui s ALA 103 CO 0.08 -0.22 0.18 0.50 0.00 0.00 0.00 175.76 176.31 2cui s ARG 104 N 1.24 3.59 1.12 0.00 3.52 -1.26 -2.66 118.95 124.50 2cui s ARG 104 Ca -0.09 -0.56 -0.13 0.00 -0.13 0.00 0.00 55.73 54.83 2cui s ARG 104 Cb -0.09 -3.64 0.26 0.00 -1.56 0.00 0.00 34.95 29.91 2cui s ARG 104 CO -0.09 -0.33 1.05 0.95 -0.81 0.00 0.00 175.30 176.06 2cui s THR 105 N 1.69 2.02 0.26 4.11 -4.23 -0.90 -4.90 115.64 113.69 2cui s THR 105 Ca 0.06 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.61 2cui s THR 105 Cb -0.17 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 2cui s THR 105 CO 0.09 -0.01 0.40 -0.76 -0.54 0.00 0.00 174.62 173.80 2cui s LEU 106 N -6.98 4.24 0.05 4.79 1.43 -1.14 -3.76 118.68 117.32 2cui s LEU 106 Ca 0.67 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.85 2cui s LEU 106 Cb -0.23 -2.99 -0.31 0.00 0.03 0.00 0.00 46.19 42.69 2cui s LEU 106 CO 0.62 -0.11 1.08 0.77 0.23 0.00 0.00 176.35 178.93 2cui h SER 107 N 1.18 0.67 -4.02 2.29 4.64 -1.89 -2.42 113.55 114.00 2cui h SER 107 Ca -0.51 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.11 2cui h SER 107 Cb 1.22 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2cui h SER 107 CO 0.62 1.54 -0.09 0.61 -0.87 0.00 0.00 176.83 178.64 2cui n GLY 108 N 1.59 -3.32 0.04 -0.77 0.00 -1.26 -4.74 105.19 96.74 2cui n GLY 108 Ca -0.13 -1.02 0.08 0.00 0.00 0.00 0.00 46.02 44.96 2cui n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cui n PRO 109 N -0.69 0.06 -1.72 1.61 -0.04 -1.26 -4.78 135.00 128.18 2cui n PRO 109 Ca 0.00 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.46 2cui n PRO 109 Cb 0.00 -1.61 0.03 0.00 -0.04 0.00 0.00 33.50 31.88 2cui n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cui s SER 110 N -3.38 5.68 0.41 3.54 1.04 -1.26 -4.96 113.70 114.76 2cui s SER 110 Ca 0.06 1.58 -0.21 0.00 0.48 0.00 0.00 55.95 57.86 2cui s SER 110 Cb 0.09 -2.49 -0.15 0.00 0.10 0.00 0.00 66.02 63.57 2cui s SER 110 CO 0.30 -1.24 0.19 -1.54 0.98 0.00 0.00 173.24 171.92 2cui n SER 111 N -2.88 -2.44 -0.45 7.02 3.41 -1.26 -5.14 113.62 111.88 2cui n SER 111 Ca 0.07 0.83 0.06 0.00 -0.26 0.00 0.00 58.87 59.57 2cui n SER 111 Cb 0.54 -0.93 0.05 0.00 -0.26 0.00 0.00 64.21 63.60 2cui n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49