#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 4.98 -0.40 1.61 0.01 -1.26 -5.06 113.70 113.58 2cui s SER 2 Ca 0.00 -0.29 -0.28 0.00 1.31 0.00 0.00 55.95 56.68 2cui s SER 2 Cb 0.00 -1.14 -0.00 0.00 0.21 0.00 0.00 66.02 65.09 2cui s SER 2 CO 0.00 0.10 1.57 -0.44 0.41 0.00 0.00 173.24 174.89 2cui s SER 3 N -2.83 6.12 0.48 2.44 0.01 -1.26 -4.77 113.70 113.89 2cui s SER 3 Ca 0.28 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2cui s SER 3 Cb -0.10 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2cui s SER 3 CO 0.19 -1.59 0.00 0.61 0.41 0.00 0.00 173.24 172.87 2cui n GLY 4 N 5.24 -3.15 3.50 3.44 0.00 -1.26 -5.03 105.19 107.93 2cui n GLY 4 Ca 0.19 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 2cui n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cui s SER 5 N -6.59 -0.73 0.13 1.61 0.15 -1.26 -5.17 113.70 101.83 2cui s SER 5 Ca 0.00 1.25 -0.08 0.00 0.70 0.00 0.00 55.95 57.83 2cui s SER 5 Cb 0.00 1.17 -0.01 0.00 -1.71 0.00 0.00 66.02 65.48 2cui s SER 5 CO 0.00 -0.22 0.21 -0.94 1.20 0.00 0.00 173.24 173.50 2cui s SER 6 N 1.13 0.11 -0.39 5.45 1.04 -1.26 -5.13 113.70 114.66 2cui s SER 6 Ca -0.07 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.58 2cui s SER 6 Cb -0.06 0.38 0.16 0.00 0.10 0.00 0.00 66.02 66.60 2cui s SER 6 CO -0.11 -0.80 0.40 -0.83 0.98 0.00 0.00 173.24 172.87 2cui s GLY 7 N -2.93 0.02 -0.33 7.32 0.00 -1.26 -4.98 107.32 105.16 2cui s GLY 7 Ca 0.13 -1.11 0.07 0.00 0.00 0.00 0.00 44.72 43.81 2cui s GLY 7 CO -0.04 2.74 1.57 -1.14 0.00 0.00 0.00 173.10 176.23 2cui n SER 8 N 3.98 2.83 -4.35 1.64 3.41 -1.26 -4.99 113.62 114.89 2cui n SER 8 Ca 0.14 -3.76 -0.23 0.00 -0.26 0.00 0.00 58.87 54.75 2cui n SER 8 Cb 0.46 -0.69 -0.12 0.00 -0.26 0.00 0.00 64.21 63.61 2cui n SER 8 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2cui s ARG 9 N -3.28 1.31 -0.03 4.33 3.00 -1.26 -5.11 118.95 117.91 2cui s ARG 9 Ca 0.48 -1.40 -0.30 0.00 0.00 0.00 0.00 55.73 54.51 2cui s ARG 9 Cb 0.43 -1.47 -0.05 0.00 0.00 0.00 0.00 34.95 33.85 2cui s ARG 9 CO 0.02 0.31 1.47 -1.25 0.00 0.00 0.00 175.30 175.85 2cui s PRO 10 N -2.62 4.24 0.41 3.54 0.04 -1.26 -5.01 135.00 134.34 2cui s PRO 10 Ca 0.16 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.24 2cui s PRO 10 Cb -0.07 -3.71 -0.03 0.00 0.04 0.00 0.00 34.50 30.73 2cui s PRO 10 CO 0.07 -0.68 0.09 1.03 0.04 0.00 0.00 177.00 177.56 2cui s ARG 11 N 2.99 1.93 0.55 4.56 1.81 -1.26 -4.77 118.95 124.75 2cui s ARG 11 Ca 0.66 -2.17 -0.05 0.00 -1.72 0.00 0.00 55.73 52.45 2cui s ARG 11 Cb -0.31 -0.83 -0.00 0.00 -0.45 0.00 0.00 34.95 33.35 2cui s ARG 11 CO 0.26 -0.40 0.84 -0.51 -0.68 0.00 0.00 175.30 174.82 2cui s LEU 12 N -3.63 3.38 0.00 2.53 1.43 -1.26 -4.68 118.68 116.44 2cui s LEU 12 Ca 0.23 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 2cui s LEU 12 Cb 0.04 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.72 2cui s LEU 12 CO 0.13 -0.91 0.23 -0.24 0.23 0.00 0.00 176.35 175.79 2cui n SER 13 N -2.44 1.75 -4.52 2.29 2.88 -0.86 -4.99 113.62 107.73 2cui n SER 13 Ca 0.03 -1.92 -0.48 0.00 -1.33 0.00 0.00 58.87 55.18 2cui n SER 13 Cb 0.57 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 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 -1.22 1.50 -3.03 -1.46 6.02 -1.26 -4.63 117.38 113.30 2cui n GLN 14 Ca 0.00 0.42 -0.44 0.00 -0.01 0.00 0.00 57.00 56.98 2cui n GLN 14 Cb 0.31 -2.77 -0.05 0.00 1.02 0.00 0.00 30.24 28.74 2cui n GLN 14 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2cui s LEU 15 N 7.47 4.73 0.33 1.08 2.96 -1.26 -4.56 118.68 129.44 2cui s LEU 15 Ca 1.05 -0.86 0.08 0.00 -0.22 0.00 0.00 54.13 54.18 2cui s LEU 15 Cb -0.64 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 2cui s LEU 15 CO 0.44 -1.09 0.17 -0.44 -1.32 0.00 0.00 176.35 174.11 2cui s SER 16 N 3.01 4.84 -0.12 3.68 0.01 -1.18 -4.57 113.70 119.38 2cui s SER 16 Ca 0.19 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2cui s SER 16 Cb -0.18 -0.81 -0.01 0.00 0.21 0.00 0.00 66.02 65.22 2cui s SER 16 CO 0.13 -0.28 -0.15 -0.69 0.41 0.00 0.00 173.24 172.65 2cui s VAL 17 N -2.38 2.82 0.38 3.43 1.01 -1.26 -2.01 120.40 122.39 2cui s VAL 17 Ca 0.38 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.68 2cui s VAL 17 Cb -0.04 -2.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.10 2cui s VAL 17 CO 0.23 0.53 0.02 0.42 0.00 0.00 0.00 175.10 176.30 2cui s THR 18 N 0.37 1.75 -1.51 3.92 -4.23 0.14 -4.76 115.64 111.33 2cui s THR 18 Ca -0.12 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.25 2cui s THR 18 Cb -0.16 -2.91 0.08 0.00 1.34 0.00 0.00 72.50 70.85 2cui s THR 18 CO 0.06 -0.02 0.86 0.47 -0.54 0.00 0.00 174.62 175.46 2cui n ASP 19 N -0.87 -4.68 -4.48 3.99 8.00 -1.26 -1.08 116.55 116.17 2cui n ASP 19 Ca -0.04 -0.69 -0.43 0.00 0.71 0.00 0.00 54.79 54.34 2cui n ASP 19 Cb 0.67 -3.76 -0.09 0.00 -0.02 0.00 0.00 41.12 37.91 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 -4.53 0.02 -2.36 2.53 0.31 -1.26 -4.37 118.33 108.67 2cui n VAL 20 Ca 0.03 -0.30 -0.28 0.00 -0.01 0.00 0.00 64.34 63.77 2cui n VAL 20 Cb 0.53 -1.46 0.01 0.00 -0.91 0.00 0.00 33.84 32.01 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 9.38 4.47 0.22 2.52 2.01 0.44 -4.59 115.64 130.08 2cui s THR 21 Ca 1.17 0.32 -0.11 0.00 0.31 0.00 0.00 61.69 63.38 2cui s THR 21 Cb -0.86 -3.74 0.22 0.00 0.01 0.00 0.00 72.50 68.13 2cui s THR 21 CO 0.43 -0.81 1.64 0.71 -0.69 0.00 0.00 174.62 175.91 2cui h THR 22 N -0.05 0.42 0.00 -0.82 1.35 -1.91 -2.85 112.91 109.05 2cui h THR 22 Ca -0.46 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.36 2cui h THR 22 Cb 1.22 0.35 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 2cui h THR 22 CO 0.62 0.01 -0.32 -1.54 -0.25 0.00 0.00 175.52 174.04 2cui n SER 23 N -5.35 1.47 -2.76 5.36 3.41 -1.26 -3.39 113.62 111.09 2cui n SER 23 Ca 0.09 -2.82 -0.11 0.00 -0.26 0.00 0.00 58.87 55.77 2cui n SER 23 Cb 0.36 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2cui n SER 23 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cui n SER 24 N -0.80 -1.77 -3.67 4.04 2.88 -1.09 0.11 113.62 113.31 2cui n SER 24 Ca 0.11 -2.62 0.01 0.00 -1.33 0.00 0.00 58.87 55.04 2cui n SER 24 Cb 0.71 3.07 0.00 0.00 -0.75 0.00 0.00 64.21 67.24 2cui n SER 24 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2cui s LEU 25 N 0.00 -0.03 0.08 2.46 0.05 -1.21 0.17 118.68 120.19 2cui s LEU 25 Ca 0.20 -0.22 0.07 0.00 0.05 0.00 0.00 54.13 54.23 2cui s LEU 25 Cb -0.03 1.45 -0.03 0.00 -2.05 0.00 0.00 46.19 45.53 2cui s LEU 25 CO 0.15 -0.38 -0.18 -0.60 -0.55 0.00 0.00 176.35 174.79 2cui s ARG 26 N -2.28 1.04 0.29 1.48 3.52 -0.24 -3.14 118.95 119.63 2cui s ARG 26 Ca 0.20 -1.03 0.10 0.00 -0.13 0.00 0.00 55.73 54.87 2cui s ARG 26 Cb 0.02 -1.19 -0.05 0.00 -1.56 0.00 0.00 34.95 32.17 2cui s ARG 26 CO -0.02 0.28 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.20 2cui s LEU 27 N -1.68 2.98 -0.25 -0.88 1.43 0.07 0.25 118.68 120.60 2cui s LEU 27 Ca 0.04 -0.85 -0.06 0.00 -1.03 0.00 0.00 54.13 52.22 2cui s LEU 27 Cb -0.10 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.80 2cui s LEU 27 CO 0.03 -0.07 0.49 0.20 0.23 0.00 0.00 176.35 177.23 2cui s ASN 28 N -3.65 -0.54 0.06 2.29 0.01 -0.85 -3.70 114.94 108.55 2cui s ASN 28 Ca 0.32 0.96 0.06 0.00 -0.71 0.00 0.00 52.86 53.49 2cui s ASN 28 Cb -0.04 1.66 -0.03 0.00 0.41 0.00 0.00 41.25 43.25 2cui s ASN 28 CO 0.19 -0.25 -0.16 -1.66 -1.51 0.00 0.00 177.10 173.71 2cui s TRP 29 N 2.71 1.37 -0.15 2.20 -2.14 -1.23 -3.09 118.94 118.61 2cui s TRP 29 Ca 0.04 -0.40 -0.11 0.00 2.66 0.00 0.00 56.10 58.29 2cui s TRP 29 Cb -0.13 -0.79 -0.05 0.00 -3.10 0.00 0.00 33.47 29.41 2cui s TRP 29 CO -0.16 0.07 0.21 -2.00 -2.66 0.00 0.00 176.95 172.41 2cui s GLU 30 N -1.46 3.99 -0.05 3.25 -6.30 -1.26 -4.75 118.70 112.12 2cui s GLU 30 Ca 0.02 -0.03 -0.09 0.00 -2.50 0.00 0.00 54.97 52.37 2cui s GLU 30 Cb -0.09 -3.34 0.02 0.00 0.00 0.00 0.00 34.13 30.71 2cui s GLU 30 CO 0.02 0.44 0.21 0.00 0.02 0.00 0.00 175.26 175.95 2cui s ALA 31 N -0.10 -0.52 0.94 6.30 0.00 -1.26 -2.03 121.76 125.09 2cui s ALA 31 Ca 0.14 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 2cui s ALA 31 Cb -0.12 -0.16 0.15 0.00 0.00 0.00 0.00 23.12 22.99 2cui s ALA 31 CO 0.03 -0.16 1.09 -1.25 0.00 0.00 0.00 175.76 175.47 2cui s PRO 32 N -0.54 0.93 0.36 0.00 0.04 -1.26 -5.00 135.00 129.53 2cui s PRO 32 Ca -0.06 0.70 -0.27 0.00 0.04 0.00 0.00 61.00 61.41 2cui s PRO 32 Cb -0.04 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 2cui s PRO 32 CO 0.01 -2.43 1.21 -1.25 0.04 0.00 0.00 177.00 174.57 2cui s PRO 33 N -4.95 4.25 -1.52 0.56 0.04 -1.26 -3.30 135.00 128.82 2cui s PRO 33 Ca 0.64 1.97 -0.13 0.00 0.04 0.00 0.00 61.00 63.51 2cui s PRO 33 Cb -0.18 -2.89 0.09 0.00 0.04 0.00 0.00 34.50 31.55 2cui s PRO 33 CO 0.57 -0.19 0.90 0.41 0.04 0.00 0.00 177.00 178.73 2cui n GLY 34 N 0.79 -0.50 0.04 0.56 0.00 -1.26 -4.90 105.19 99.92 2cui n GLY 34 Ca 0.02 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 0.97 0.00 -4.03 4.61 0.00 -1.94 -3.48 119.26 115.38 2cui h ALA 35 Ca -0.56 -0.38 -0.68 0.00 0.00 0.00 0.00 54.91 53.28 2cui h ALA 35 Cb 1.37 0.29 -0.31 0.00 0.00 0.00 0.00 17.79 19.13 2cui h ALA 35 CO 0.66 0.29 -0.88 -0.06 0.00 0.00 0.00 179.25 179.26 2cui s PHE 36 N -1.71 2.37 0.52 0.00 0.08 -1.26 -4.66 117.98 113.32 2cui s PHE 36 Ca -0.08 -0.69 0.18 0.00 0.12 0.00 0.00 56.93 56.45 2cui s PHE 36 Cb 0.01 -1.55 1.33 0.00 -0.57 0.00 0.00 43.02 42.23 2cui s PHE 36 CO 0.12 -0.21 2.15 0.22 -0.10 0.00 0.00 175.22 177.41 2cui h ASP 37 N 6.05 0.00 -2.56 1.36 3.58 -0.10 -3.20 116.42 121.55 2cui h ASP 37 Ca -0.32 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.17 2cui h ASP 37 Cb 1.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 2cui h ASP 37 CO 0.47 0.01 0.35 -1.54 -2.88 0.00 0.00 179.24 175.65 2cui n SER 38 N -4.44 -1.82 -3.75 2.28 3.41 -1.12 -3.49 113.62 104.70 2cui n SER 38 Ca -0.03 -2.16 -0.23 0.00 -0.26 0.00 0.00 58.87 56.19 2cui n SER 38 Cb 0.10 3.01 -0.18 0.00 -0.26 0.00 0.00 64.21 66.88 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 -2.87 0.60 -0.42 7.33 0.08 0.65 -2.17 117.98 121.17 2cui s PHE 39 Ca 0.16 -0.16 -0.08 0.00 0.12 0.00 0.00 56.93 56.97 2cui s PHE 39 Cb -0.04 -0.77 0.09 0.00 -0.57 0.00 0.00 43.02 41.73 2cui s PHE 39 CO 0.08 -0.33 0.26 -1.17 -0.10 0.00 0.00 175.22 173.96 2cui s LEU 40 N 2.00 5.21 0.02 -0.37 2.96 -0.85 -1.17 118.68 126.48 2cui s LEU 40 Ca 0.05 -1.62 -0.14 0.00 -0.22 0.00 0.00 54.13 52.19 2cui s LEU 40 Cb -0.13 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 2cui s LEU 40 CO -0.05 -0.55 0.42 -0.22 -1.32 0.00 0.00 176.35 174.62 2cui s LEU 41 N 1.38 4.45 -0.17 -0.68 2.96 0.43 -1.75 118.68 125.29 2cui s LEU 41 Ca 0.04 0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 54.88 2cui s LEU 41 Cb -0.23 -2.70 0.05 0.00 0.50 0.00 0.00 46.19 43.81 2cui s LEU 41 CO 0.01 0.29 -0.02 -0.13 -1.32 0.00 0.00 176.35 175.18 2cui s ARG 42 N -1.27 1.12 -0.20 1.98 0.52 -0.02 -0.97 118.95 120.11 2cui s ARG 42 Ca 0.26 -0.49 -0.03 0.00 -0.52 0.00 0.00 55.73 54.96 2cui s ARG 42 Cb -0.16 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.29 2cui s ARG 42 CO 0.15 -0.51 -0.07 -0.59 0.02 0.00 0.00 175.30 174.30 2cui s PHE 43 N 1.71 2.92 0.20 -0.53 -0.71 -1.23 -2.15 117.98 118.19 2cui s PHE 43 Ca -0.00 -0.96 0.05 0.00 -1.04 0.00 0.00 56.93 54.98 2cui s PHE 43 Cb -0.16 -2.05 -0.05 0.00 -1.21 0.00 0.00 43.02 39.55 2cui s PHE 43 CO -0.07 -0.52 -0.08 0.20 -1.34 0.00 0.00 175.22 173.40 2cui s GLY 44 N 1.28 1.41 -0.45 1.99 0.00 -1.10 -4.40 107.32 106.04 2cui s GLY 44 Ca 0.03 -1.67 -0.28 0.00 0.00 0.00 0.00 44.72 42.80 2cui s GLY 44 CO -0.03 -1.69 1.09 0.14 0.00 0.00 0.00 173.10 172.60 2cui s VAL 45 N -3.20 4.30 -0.29 1.40 1.01 -1.26 -3.12 120.40 119.24 2cui s VAL 45 Ca 0.23 1.20 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 2cui s VAL 45 Cb 0.03 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 2cui s VAL 45 CO 0.06 -0.90 1.66 -2.16 0.00 0.00 0.00 175.10 173.76 2cui s PRO 46 N 4.20 3.59 -0.10 2.72 0.04 -1.26 -4.99 135.00 139.20 2cui s PRO 46 Ca 0.45 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 2cui s PRO 46 Cb -0.08 -4.09 -0.05 0.00 0.04 0.00 0.00 34.50 30.31 2cui s PRO 46 CO 0.28 -1.54 0.36 -1.54 0.04 0.00 0.00 177.00 174.60 2cui s SER 47 N 4.89 6.60 0.42 6.66 1.04 -1.26 -5.07 113.70 126.98 2cui s SER 47 Ca 0.73 0.71 -0.25 0.00 0.48 0.00 0.00 55.95 57.62 2cui s SER 47 Cb -0.22 -2.22 -0.08 0.00 0.10 0.00 0.00 66.02 63.60 2cui s SER 47 CO 0.31 0.16 1.18 -2.16 0.98 0.00 0.00 173.24 173.72 2cui s PRO 48 N -0.03 3.96 -0.09 4.02 0.04 -1.26 -4.92 135.00 136.72 2cui s PRO 48 Ca 0.21 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.14 2cui s PRO 48 Cb -0.14 -2.61 0.23 0.00 0.04 0.00 0.00 34.50 32.02 2cui s PRO 48 CO 0.08 -0.41 0.96 0.45 0.04 0.00 0.00 177.00 178.13 2cui n SER 49 N -0.08 2.60 -0.03 6.66 2.88 -1.26 -3.53 113.62 120.85 2cui n SER 49 Ca 0.05 -2.32 -0.03 0.00 -1.33 0.00 0.00 58.87 55.23 2cui n SER 49 Cb 0.47 -0.57 -0.05 0.00 -0.75 0.00 0.00 64.21 63.31 2cui n SER 49 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2cui n THR 50 N 0.15 0.42 -3.60 2.46 -1.04 -1.26 -5.04 114.28 106.37 2cui n THR 50 Ca 0.10 -0.25 -0.20 0.00 -2.04 0.00 0.00 64.05 61.66 2cui n THR 50 Cb 0.61 -0.83 -0.01 0.00 -1.82 0.00 0.00 70.33 68.28 2cui n THR 50 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2cui s LEU 51 N -4.57 4.07 0.45 -4.42 1.43 -1.23 -5.10 118.68 109.30 2cui s LEU 51 Ca -0.04 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 2cui s LEU 51 Cb 0.02 -2.83 -0.08 0.00 0.03 0.00 0.00 46.19 43.33 2cui s LEU 51 CO 0.24 -0.33 0.90 -1.61 0.23 0.00 0.00 176.35 175.79 2cui s GLU 52 N -4.14 3.97 0.46 1.70 0.41 -1.26 -4.89 118.70 114.94 2cui s GLU 52 Ca 0.41 0.85 -0.23 0.00 -0.41 0.00 0.00 54.97 55.59 2cui s GLU 52 Cb -0.09 -2.23 -0.07 0.00 -1.78 0.00 0.00 34.13 29.95 2cui s GLU 52 CO 0.31 -0.13 1.17 -1.25 -0.49 0.00 0.00 175.26 174.87 2cui s PRO 53 N -3.74 3.77 0.18 0.39 0.04 -1.26 -5.02 135.00 129.36 2cui s PRO 53 Ca 0.57 1.78 -0.22 0.00 0.04 0.00 0.00 61.00 63.17 2cui s PRO 53 Cb -0.10 -2.42 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 2cui s PRO 53 CO 0.26 -0.54 0.73 -1.01 0.04 0.00 0.00 177.00 176.48 2cui s HIS 54 N -1.54 3.79 -1.72 0.56 3.76 -1.26 -4.95 115.29 113.94 2cui s HIS 54 Ca 0.63 1.49 0.15 0.00 -0.15 0.00 0.00 55.06 57.18 2cui s HIS 54 Cb -0.29 -2.67 0.85 0.00 1.11 0.00 0.00 32.58 31.57 2cui s HIS 54 CO 0.35 0.45 1.38 -0.35 -0.85 0.00 0.00 174.74 175.72 2cui n PRO 55 N 1.24 0.35 -3.37 8.40 -0.04 -1.26 -4.68 135.00 135.65 2cui n PRO 55 Ca -0.05 0.07 -0.38 0.00 -0.04 0.00 0.00 63.50 63.10 2cui n PRO 55 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.28 4.24 0.22 0.54 3.00 -1.26 -5.05 118.95 118.35 2cui s ARG 56 Ca 0.19 0.29 -0.30 0.00 -1.00 0.00 0.00 55.73 54.91 2cui s ARG 56 Cb 0.10 -3.50 -0.09 0.00 0.00 0.00 0.00 34.95 31.47 2cui s ARG 56 CO 0.20 0.04 1.29 -1.25 0.00 0.00 0.00 175.30 175.58 2cui s PRO 57 N 1.05 4.41 -0.35 5.12 0.04 -1.26 -5.01 135.00 139.00 2cui s PRO 57 Ca 0.21 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 2cui s PRO 57 Cb -0.15 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.23 2cui s PRO 57 CO 0.08 -0.20 0.19 -0.51 0.04 0.00 0.00 177.00 176.60 2cui s LEU 58 N -0.45 4.49 0.10 -3.56 1.02 -1.26 -5.07 118.68 113.96 2cui s LEU 58 Ca 0.54 -0.81 -0.31 0.00 0.02 0.00 0.00 54.13 53.58 2cui s LEU 58 Cb -0.36 -2.02 -0.07 0.00 0.02 0.00 0.00 46.19 43.75 2cui s LEU 58 CO 0.40 -0.31 1.37 -0.22 0.02 0.00 0.00 176.35 177.61 2cui s LEU 59 N 1.58 4.37 0.63 1.79 2.96 -1.26 -5.01 118.68 123.74 2cui s LEU 59 Ca 0.03 2.27 -0.11 0.00 -0.22 0.00 0.00 54.13 56.11 2cui s LEU 59 Cb -0.18 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 2cui s LEU 59 CO 0.07 -0.64 1.03 0.00 -1.32 0.00 0.00 176.35 175.49 2cui s GLN 60 N 1.22 3.36 0.06 1.98 0.00 -1.26 -5.04 119.66 119.97 2cui s GLN 60 Ca 0.64 0.60 -0.11 0.00 -0.00 0.00 0.00 55.36 56.49 2cui s GLN 60 Cb -0.35 -2.09 0.01 0.00 0.00 0.00 0.00 33.01 30.57 2cui s GLN 60 CO 0.30 -0.69 0.23 0.50 0.00 0.00 0.00 175.29 175.64 2cui s ARG 61 N -5.20 0.78 -0.20 9.60 6.06 -1.26 -5.13 118.95 123.60 2cui s ARG 61 Ca 0.55 -0.68 -0.20 0.00 -2.50 0.00 0.00 55.73 52.90 2cui s ARG 61 Cb -0.11 0.33 0.06 0.00 0.06 0.00 0.00 34.95 35.29 2cui s ARG 61 CO 0.52 -0.25 0.57 -1.83 -2.50 0.00 0.00 175.30 171.82 2cui s GLU 62 N -2.96 0.69 -0.08 5.12 -1.05 -1.26 -3.57 118.70 115.59 2cui s GLU 62 Ca -0.02 0.75 0.00 0.00 -0.15 0.00 0.00 54.97 55.56 2cui s GLU 62 Cb 0.01 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 2cui s GLU 62 CO -0.06 -0.09 -0.05 -1.17 0.95 0.00 0.00 175.26 174.84 2cui s LEU 63 N 0.20 3.27 -0.02 1.83 0.20 -0.14 -4.92 118.68 119.11 2cui s LEU 63 Ca -0.01 0.01 0.03 0.00 0.69 0.00 0.00 54.13 54.86 2cui s LEU 63 Cb -0.04 -1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 43.97 2cui s LEU 63 CO 0.01 0.36 -0.09 -0.04 -0.29 0.00 0.00 176.35 176.30 2cui s MET 64 N -0.78 2.53 -0.21 1.98 -1.94 -1.25 -0.43 119.30 119.19 2cui s MET 64 Ca 0.12 -0.71 -0.18 0.00 -1.71 0.00 0.00 55.69 53.21 2cui s MET 64 Cb -0.11 -2.46 0.06 0.00 2.01 0.00 0.00 34.83 34.32 2cui s MET 64 CO 0.02 0.61 0.56 0.08 -0.01 0.00 0.00 175.02 176.28 2cui s VAL 65 N -0.91 -0.00 0.33 -6.03 1.01 -0.32 -4.94 120.40 109.54 2cui s VAL 65 Ca 0.15 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 2cui s VAL 65 Cb -0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 36.38 35.39 2cui s VAL 65 CO 0.05 0.01 1.22 -2.16 0.00 0.00 0.00 175.10 174.21 2cui s PRO 66 N 0.61 4.37 0.21 2.72 0.04 -1.26 0.24 135.00 141.93 2cui s PRO 66 Ca -0.02 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 2cui s PRO 66 Cb -0.05 -3.02 0.44 0.00 0.04 0.00 0.00 34.50 31.92 2cui s PRO 66 CO -0.04 -0.10 1.13 0.41 0.04 0.00 0.00 177.00 178.44 2cui n GLY 67 N 0.88 -1.10 0.29 0.56 0.00 -1.21 0.18 105.19 104.79 2cui n GLY 67 Ca 0.01 0.74 0.07 0.00 0.00 0.00 0.00 46.02 46.84 2cui n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cui h THR 68 N 0.00 0.59 -3.52 2.61 1.03 -1.90 -3.38 112.91 108.34 2cui h THR 68 Ca 0.39 -0.14 -0.61 0.00 -0.01 0.00 0.00 66.41 66.05 2cui h THR 68 Cb 0.72 0.14 -0.12 0.00 -1.07 0.00 0.00 68.15 67.82 2cui h THR 68 CO -0.71 0.07 -0.22 -0.13 -0.01 0.00 0.00 175.52 174.52 2cui s ARG 69 N -5.99 4.14 -0.67 0.00 0.52 0.48 -5.01 118.95 112.43 2cui s ARG 69 Ca -0.12 0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.29 2cui s ARG 69 Cb 0.22 -3.55 0.28 0.00 0.52 0.00 0.00 34.95 32.41 2cui s ARG 69 CO 0.77 -0.07 0.87 0.72 0.02 0.00 0.00 175.30 177.61 2cui n HIS 70 N 4.59 3.63 -3.95 -0.53 8.25 -1.26 -4.23 115.22 121.72 2cui n HIS 70 Ca -0.09 -3.97 -0.09 0.00 -0.26 0.00 0.00 57.72 53.31 2cui n HIS 70 Cb 0.51 -0.61 -0.10 0.00 1.12 0.00 0.00 29.99 30.91 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 0.20 -0.20 0.41 1.04 -1.26 -3.48 113.70 107.77 2cui s SER 71 Ca 0.41 -0.47 -0.07 0.00 0.48 0.00 0.00 55.95 56.30 2cui s SER 71 Cb 0.17 0.15 0.09 0.00 0.10 0.00 0.00 66.02 66.53 2cui s SER 71 CO -0.03 -0.36 0.43 0.00 0.98 0.00 0.00 173.24 174.25 2cui s ALA 72 N -1.75 -1.17 -0.10 5.32 0.00 -1.24 -4.86 121.76 117.95 2cui s ALA 72 Ca -0.13 1.54 0.03 0.00 0.00 0.00 0.00 51.96 53.41 2cui s ALA 72 Cb -0.07 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2cui s ALA 72 CO -0.01 -0.67 -0.21 0.08 0.00 0.00 0.00 175.76 174.94 2cui s VAL 73 N 2.40 1.88 -0.21 0.00 1.01 -1.26 -0.75 120.40 123.46 2cui s VAL 73 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 2cui s VAL 73 Cb -0.11 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2cui s VAL 73 CO -0.13 0.52 -0.11 -0.76 0.00 0.00 0.00 175.10 174.62 2cui s LEU 74 N 0.50 2.70 0.50 3.92 2.01 -1.19 -4.99 118.68 122.13 2cui s LEU 74 Ca -0.16 -0.65 0.08 0.00 0.01 0.00 0.00 54.13 53.41 2cui s LEU 74 Cb -0.17 -1.62 0.03 0.00 0.01 0.00 0.00 46.19 44.44 2cui s LEU 74 CO 0.06 -0.05 0.52 -0.13 1.01 0.00 0.00 176.35 177.76 2cui s ARG 75 N 1.36 2.42 -1.05 1.70 0.52 -1.26 -3.33 118.95 119.31 2cui s ARG 75 Ca 0.04 -1.67 -0.03 0.00 -0.52 0.00 0.00 55.73 53.54 2cui s ARG 75 Cb -0.15 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.91 2cui s ARG 75 CO -0.07 -0.51 0.43 -3.47 0.02 0.00 0.00 175.30 171.70 2cui n ASP 76 N -1.83 -4.68 -4.26 0.23 2.03 -1.17 -4.96 116.55 101.91 2cui n ASP 76 Ca 0.06 -0.20 -0.20 0.00 0.52 0.00 0.00 54.79 54.97 2cui n ASP 76 Cb 0.62 -3.53 0.10 0.00 -0.72 0.00 0.00 41.12 37.59 2cui n ASP 76 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2cui n LEU 77 N -2.84 0.00 -4.96 -2.67 4.77 0.12 -5.06 117.00 106.35 2cui n LEU 77 Ca -0.07 -1.88 -0.22 0.00 -0.03 0.00 0.00 56.01 53.81 2cui n LEU 77 Cb 0.58 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 2cui n LEU 77 CO 0.33 -0.91 0.26 -0.60 -1.33 0.00 0.00 177.39 175.13 2cui s ARG 78 N -4.74 2.98 0.15 3.23 3.52 -1.26 -4.65 118.95 118.17 2cui s ARG 78 Ca 0.58 -0.64 -0.23 0.00 -0.13 0.00 0.00 55.73 55.31 2cui s ARG 78 Cb -0.03 -2.59 -0.08 0.00 -1.56 0.00 0.00 34.95 30.69 2cui s ARG 78 CO 0.38 -0.29 0.72 -1.54 -0.81 0.00 0.00 175.30 173.76 2cui s SER 79 N -4.25 7.27 -1.33 -2.12 1.04 -1.26 -4.17 113.70 108.89 2cui s SER 79 Ca 0.49 1.53 -0.02 0.00 0.48 0.00 0.00 55.95 58.43 2cui s SER 79 Cb -0.10 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2cui s SER 79 CO 0.37 0.20 0.04 0.61 0.98 0.00 0.00 173.24 175.44 2cui n GLY 80 N 1.52 -0.14 3.30 7.32 0.00 -0.20 -4.83 105.19 112.16 2cui n GLY 80 Ca -0.06 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.18 1.68 -0.10 2.61 2.01 -1.26 -4.87 115.64 111.53 2cui s THR 81 Ca 0.03 -1.77 -0.19 0.00 0.31 0.00 0.00 61.69 60.07 2cui s THR 81 Cb -0.02 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2cui s THR 81 CO 0.87 -0.27 0.51 -0.22 -0.69 0.00 0.00 174.62 174.82 2cui s LEU 82 N -2.41 4.30 -0.03 4.42 1.98 -1.26 -1.57 118.68 124.11 2cui s LEU 82 Ca 0.12 0.89 0.08 0.00 -2.89 0.00 0.00 54.13 52.33 2cui s LEU 82 Cb -0.07 -2.75 -0.02 0.00 0.66 0.00 0.00 46.19 44.01 2cui s LEU 82 CO 0.05 0.01 -0.26 -0.31 -1.89 0.00 0.00 176.35 173.96 2cui s TYR 83 N 0.48 2.35 -0.48 5.38 1.51 -0.83 -4.57 117.35 121.18 2cui s TYR 83 Ca 0.28 -0.50 -0.18 0.00 -1.01 0.00 0.00 57.07 55.65 2cui s TYR 83 Cb -0.16 -1.52 0.05 0.00 -0.11 0.00 0.00 41.96 40.23 2cui s TYR 83 CO 0.12 -0.08 0.55 0.45 -1.11 0.00 0.00 175.55 175.48 2cui s SER 84 N -0.50 6.21 -0.06 2.29 0.15 -1.18 -3.35 113.70 117.26 2cui s SER 84 Ca 0.07 -0.94 -0.06 0.00 0.70 0.00 0.00 55.95 55.72 2cui s SER 84 Cb -0.11 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 2cui s SER 84 CO 0.00 -0.79 0.19 -0.76 1.20 0.00 0.00 173.24 173.08 2cui s LEU 85 N 2.36 4.38 -0.16 3.45 1.43 -1.02 -2.72 118.68 126.41 2cui s LEU 85 Ca 0.13 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2cui s LEU 85 Cb -0.20 -2.38 0.07 0.00 0.03 0.00 0.00 46.19 43.72 2cui s LEU 85 CO 0.11 0.33 0.19 -0.89 0.23 0.00 0.00 176.35 176.32 2cui s THR 86 N -1.18 -0.28 0.06 5.49 2.01 -0.91 -1.62 115.64 119.21 2cui s THR 86 Ca 0.22 0.06 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 2cui s THR 86 Cb -0.13 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.80 2cui s THR 86 CO 0.11 -0.08 0.39 -0.22 -0.69 0.00 0.00 174.62 174.13 2cui s LEU 87 N 2.30 4.36 -0.17 4.42 2.96 -0.86 -0.84 118.68 130.85 2cui s LEU 87 Ca 0.05 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 2cui s LEU 87 Cb -0.14 -2.91 0.03 0.00 0.50 0.00 0.00 46.19 43.67 2cui s LEU 87 CO -0.09 0.20 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.70 2cui s TYR 88 N -1.35 2.29 -1.00 5.38 2.02 -0.71 -1.74 117.35 122.24 2cui s TYR 88 Ca 0.31 -1.41 -0.23 0.00 -0.37 0.00 0.00 57.07 55.38 2cui s TYR 88 Cb -0.14 -1.62 0.06 0.00 -0.40 0.00 0.00 41.96 39.86 2cui s TYR 88 CO 0.17 -0.71 1.40 0.20 -1.57 0.00 0.00 175.55 175.05 2cui s GLY 89 N 1.44 1.33 -0.41 0.71 0.00 -0.48 -2.00 107.32 107.91 2cui s GLY 89 Ca 0.02 -2.29 -0.28 0.00 0.00 0.00 0.00 44.72 42.17 2cui s GLY 89 CO -0.09 2.60 1.75 1.08 0.00 0.00 0.00 173.10 178.44 2cui s LEU 90 N 4.73 3.47 0.00 0.66 2.01 -0.92 -0.08 118.68 128.54 2cui s LEU 90 Ca 0.44 1.00 0.10 0.00 0.01 0.00 0.00 54.13 55.68 2cui s LEU 90 Cb -0.01 -3.28 0.35 0.00 0.01 0.00 0.00 46.19 43.26 2cui s LEU 90 CO -0.09 -1.82 1.27 -1.14 1.01 0.00 0.00 176.35 175.57 2cui n ARG 91 N 8.55 1.56 0.00 1.70 0.63 -1.21 0.59 116.66 128.47 2cui n ARG 91 Ca 0.21 -0.87 0.00 0.00 -0.92 0.00 0.00 57.85 56.28 2cui n ARG 91 Cb 0.48 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.17 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 0.92 0.49 0.09 5.14 0.00 -1.26 -4.57 105.19 106.00 2cui n GLY 92 Ca 0.10 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.73 1.61 0.13 -2.01 -3.46 132.00 122.45 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 0.00 178.00 176.38 2cui s HIS 94 N -4.19 1.79 0.42 1.56 3.76 -1.26 -5.12 115.29 112.25 2cui s HIS 94 Ca -0.15 -0.52 -0.26 0.00 -0.15 0.00 0.00 55.06 53.98 2cui s HIS 94 Cb 0.02 -0.84 -0.10 0.00 1.11 0.00 0.00 32.58 32.77 2cui s HIS 94 CO 0.63 0.38 1.41 1.63 -0.85 0.00 0.00 174.74 177.93 2cui n LYS 95 N -0.17 2.30 -0.13 1.40 5.02 -1.26 -3.36 118.16 121.95 2cui n LYS 95 Ca -0.09 0.81 -0.27 0.00 -2.02 0.00 0.00 58.31 56.73 2cui n LYS 95 Cb 0.59 -2.58 -0.10 0.00 -0.02 0.00 0.00 35.03 32.93 2cui n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cui n ALA 96 N -0.01 1.12 -2.53 7.82 0.00 0.89 -4.82 120.51 122.97 2cui n ALA 96 Ca 0.04 -1.01 -0.25 0.00 0.00 0.00 0.00 53.44 52.23 2cui n ALA 96 Cb 0.40 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 -7.31 2.92 -0.30 0.00 2.15 -1.20 -4.97 116.67 107.95 2cui s ASP 97 Ca -0.37 -1.52 -0.10 0.00 0.43 0.00 0.00 52.55 51.00 2cui s ASP 97 Cb 0.13 0.17 0.13 0.00 -0.30 0.00 0.00 42.92 43.05 2cui s ASP 97 CO 0.50 -0.74 0.65 -0.94 -0.17 0.00 0.00 175.17 174.47 2cui s SER 98 N -3.61 -1.15 0.29 -0.34 1.04 -1.26 -1.38 113.70 107.29 2cui s SER 98 Ca 0.28 1.57 0.08 0.00 0.48 0.00 0.00 55.95 58.35 2cui s SER 98 Cb 0.06 2.30 -0.04 0.00 0.10 0.00 0.00 66.02 68.44 2cui s SER 98 CO 0.14 -0.22 0.13 -0.51 0.98 0.00 0.00 173.24 173.75 2cui s ILE 99 N 2.90 3.67 -0.17 -1.02 2.07 -0.71 -4.96 121.20 122.97 2cui s ILE 99 Ca -0.06 -1.64 0.00 0.00 -1.41 0.00 0.00 60.65 57.55 2cui s ILE 99 Cb -0.12 -3.09 0.03 0.00 0.13 0.00 0.00 42.46 39.42 2cui s ILE 99 CO -0.19 -0.30 -0.11 -1.10 -1.91 0.00 0.00 174.94 171.33 2cui s GLN 100 N -3.80 2.01 -0.22 3.50 -0.21 -1.26 -2.02 119.66 117.66 2cui s GLN 100 Ca 0.34 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 55.08 2cui s GLN 100 Cb -0.06 -2.21 0.04 0.00 1.00 0.00 0.00 33.01 31.78 2cui s GLN 100 CO 0.23 -0.35 -0.15 0.20 -2.12 0.00 0.00 175.29 173.10 2cui s GLY 101 N 1.48 1.48 -0.11 3.09 0.00 -0.64 -4.89 107.32 107.72 2cui s GLY 101 Ca 0.01 -1.44 -0.09 0.00 0.00 0.00 0.00 44.72 43.20 2cui s GLY 101 CO -0.09 0.49 0.20 -0.51 0.00 0.00 0.00 173.10 173.19 2cui s THR 102 N 1.23 5.40 0.01 0.90 -4.23 -1.26 -2.44 115.64 115.26 2cui s THR 102 Ca -0.02 0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.73 2cui s THR 102 Cb -0.16 -3.48 0.01 0.00 1.34 0.00 0.00 72.50 70.21 2cui s THR 102 CO -0.09 0.57 0.22 0.00 -0.54 0.00 0.00 174.62 174.78 2cui s ALA 103 N -0.74 -0.48 -0.24 3.99 0.00 -1.21 -4.86 121.76 118.22 2cui s ALA 103 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 2cui s ALA 103 Cb -0.13 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.20 2cui s ALA 103 CO 0.05 -0.29 -0.09 0.50 0.00 0.00 0.00 175.76 175.93 2cui s ARG 104 N -1.89 2.85 1.27 0.00 3.52 -1.26 -1.96 118.95 121.47 2cui s ARG 104 Ca -0.10 -0.96 -0.16 0.00 -0.13 0.00 0.00 55.73 54.37 2cui s ARG 104 Cb -0.04 -2.91 0.32 0.00 -1.56 0.00 0.00 34.95 30.76 2cui s ARG 104 CO -0.00 -0.37 0.99 0.95 -0.81 0.00 0.00 175.30 176.06 2cui s THR 105 N 1.31 1.72 0.27 4.11 -4.23 -0.61 -4.86 115.64 113.35 2cui s THR 105 Ca 0.01 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.54 2cui s THR 105 Cb -0.16 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 2cui s THR 105 CO -0.06 0.00 0.43 -0.76 -0.54 0.00 0.00 174.62 173.69 2cui s LEU 106 N -7.48 4.19 -0.10 4.79 1.43 -1.13 -3.46 118.68 116.91 2cui s LEU 106 Ca 0.69 0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.91 2cui s LEU 106 Cb -0.21 -3.09 -0.13 0.00 0.03 0.00 0.00 46.19 42.79 2cui s LEU 106 CO 0.63 -0.14 0.48 0.77 0.23 0.00 0.00 176.35 178.31 2cui h SER 107 N 1.21 -0.05 0.00 2.29 4.64 -1.88 -0.50 113.55 119.27 2cui h SER 107 Ca -0.50 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.37 2cui h SER 107 Cb 1.22 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2cui h SER 107 CO 0.63 0.65 0.00 0.61 -0.87 0.00 0.00 176.83 177.85 2cui n GLY 108 N 1.45 3.02 0.27 -0.77 0.00 -1.26 -4.68 105.19 103.22 2cui n GLY 108 Ca -0.05 -0.48 0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -6.14 1.61 0.13 -2.04 -3.45 132.00 122.11 2cui h PRO 109 Ca 0.00 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.38 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 0.00 0.47 -1.13 -0.23 0.00 0.00 178.00 177.11 2cui n SER 110 N -3.02 1.31 -4.54 1.44 3.41 -1.26 -4.83 113.62 106.12 2cui n SER 110 Ca 0.01 1.13 -0.41 0.00 -0.26 0.00 0.00 58.87 59.33 2cui n SER 110 Cb 0.29 -1.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.14 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 1.33 6.40 0.00 4.04 0.01 -1.26 -5.08 113.70 119.13 2cui s SER 111 Ca 0.92 -1.19 0.11 0.00 1.31 0.00 0.00 55.95 57.10 2cui s SER 111 Cb -1.13 -2.54 0.67 0.00 0.21 0.00 0.00 66.02 63.23 2cui s SER 111 CO 0.58 -1.56 1.11 0.61 0.41 0.00 0.00 173.24 174.39