#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 -0.35 0.70 1.61 1.04 -1.26 -5.18 113.70 110.26 2cui s SER 2 Ca 0.00 -0.04 -0.09 0.00 0.48 0.00 0.00 55.95 56.29 2cui s SER 2 Cb 0.00 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.56 2cui s SER 2 CO 0.00 -0.66 1.05 -0.44 0.98 0.00 0.00 173.24 174.17 2cui s SER 3 N -2.54 5.22 0.00 7.02 0.01 -1.26 -4.93 113.70 117.22 2cui s SER 3 Ca 0.06 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.18 2cui s SER 3 Cb -0.01 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2cui s SER 3 CO -0.08 -1.41 0.00 0.61 0.41 0.00 0.00 173.24 172.77 2cui n GLY 4 N -2.95 -0.25 3.70 3.44 0.00 -1.26 -5.03 105.19 102.85 2cui n GLY 4 Ca 0.07 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.23 -3.75 1.61 2.88 -1.26 -4.97 113.62 102.90 2cui n SER 5 Ca 0.00 -0.65 -0.30 0.00 -1.33 0.00 0.00 58.87 56.59 2cui n SER 5 Cb 0.00 -4.59 0.24 0.00 -0.75 0.00 0.00 64.21 59.12 2cui n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cui s SER 6 N -3.45 0.85 0.00 -3.46 1.04 -1.26 -5.05 113.70 102.36 2cui s SER 6 Ca 0.54 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.54 2cui s SER 6 Cb -0.25 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2cui s SER 6 CO 0.77 -4.16 0.00 0.61 0.98 0.00 0.00 173.24 171.44 2cui n GLY 7 N -1.04 -0.13 3.78 7.32 0.00 -1.26 -5.17 105.19 108.69 2cui n GLY 7 Ca 0.14 0.47 -0.34 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 5.71 0.08 1.61 0.01 -1.26 -5.04 113.70 114.82 2cui s SER 8 Ca 0.00 0.19 -0.36 0.00 1.31 0.00 0.00 55.95 57.09 2cui s SER 8 Cb 0.00 -1.67 -0.18 0.00 0.21 0.00 0.00 66.02 64.38 2cui s SER 8 CO 0.00 0.30 1.56 0.03 0.41 0.00 0.00 173.24 175.54 2cui h ARG 9 N 4.35 -1.03 -6.29 12.44 2.47 -1.99 -3.41 114.38 120.92 2cui h ARG 9 Ca -0.50 0.07 -0.55 0.00 -1.26 0.00 0.00 59.98 57.74 2cui h ARG 9 Cb 1.19 0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 29.73 2cui h ARG 9 CO 0.61 -0.69 0.96 -1.25 0.56 0.00 0.00 179.97 180.16 2cui s PRO 10 N -5.86 4.23 0.34 0.04 0.04 -1.26 -5.02 135.00 127.50 2cui s PRO 10 Ca -0.18 2.02 0.09 0.00 0.04 0.00 0.00 61.00 62.96 2cui s PRO 10 Cb 0.04 -3.77 -0.06 0.00 0.04 0.00 0.00 34.50 30.74 2cui s PRO 10 CO 0.60 -0.72 -0.09 1.03 0.04 0.00 0.00 177.00 177.87 2cui s ARG 11 N 3.26 1.78 0.56 4.56 1.81 -1.26 -4.80 118.95 124.86 2cui s ARG 11 Ca 0.66 -1.92 -0.05 0.00 -1.72 0.00 0.00 55.73 52.71 2cui s ARG 11 Cb -0.31 -1.62 0.00 0.00 -0.45 0.00 0.00 34.95 32.58 2cui s ARG 11 CO 0.26 0.12 0.86 -0.51 -0.68 0.00 0.00 175.30 175.34 2cui s LEU 12 N -3.59 3.34 0.56 2.53 1.43 -1.26 -4.66 118.68 117.03 2cui s LEU 12 Ca 0.32 0.69 0.07 0.00 -1.03 0.00 0.00 54.13 54.18 2cui s LEU 12 Cb 0.03 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.77 2cui s LEU 12 CO 0.16 -0.95 0.57 -0.55 0.23 0.00 0.00 176.35 175.81 2cui s SER 13 N -4.27 4.82 -0.30 2.29 0.15 -0.89 -4.99 113.70 110.50 2cui s SER 13 Ca 0.52 -1.09 -0.33 0.00 0.70 0.00 0.00 55.95 55.75 2cui s SER 13 Cb -0.10 0.39 -0.10 0.00 -1.71 0.00 0.00 66.02 64.50 2cui s SER 13 CO 0.44 -1.22 2.18 0.00 1.20 0.00 0.00 173.24 175.85 2cui n GLN 14 N -1.97 1.35 -2.86 5.44 10.64 -1.26 -4.64 117.38 124.08 2cui n GLN 14 Ca 0.06 0.38 -0.43 0.00 -1.83 0.00 0.00 57.00 55.17 2cui n GLN 14 Cb 0.63 -2.67 -0.04 0.00 -0.86 0.00 0.00 30.24 27.30 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 7.42 4.22 0.27 2.61 2.96 -1.26 -4.63 118.68 130.28 2cui s LEU 15 Ca 1.07 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 54.48 2cui s LEU 15 Cb -0.72 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 2cui s LEU 15 CO 0.46 -1.28 0.14 -0.44 -1.32 0.00 0.00 176.35 173.91 2cui s SER 16 N 3.09 5.15 -0.16 3.68 0.01 -1.16 -4.69 113.70 119.62 2cui s SER 16 Ca 0.27 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 57.10 2cui s SER 16 Cb -0.14 -1.16 -0.00 0.00 0.21 0.00 0.00 66.02 64.93 2cui s SER 16 CO 0.16 -0.07 -0.13 -0.69 0.41 0.00 0.00 173.24 172.92 2cui s VAL 17 N -2.22 2.84 0.48 3.43 1.01 -1.26 -1.98 120.40 122.70 2cui s VAL 17 Ca 0.33 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2cui s VAL 17 Cb -0.07 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2cui s VAL 17 CO 0.23 0.50 0.01 0.42 0.00 0.00 0.00 175.10 176.26 2cui s THR 18 N 0.89 1.43 -1.09 3.92 -4.23 0.87 -4.72 115.64 112.71 2cui s THR 18 Ca -0.03 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 2cui s THR 18 Cb -0.15 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.27 2cui s THR 18 CO -0.01 0.00 0.09 -0.67 -0.54 0.00 0.00 174.62 173.49 2cui n ASP 19 N -1.17 -3.94 -4.44 3.99 2.03 -1.26 -0.91 116.55 110.84 2cui n ASP 19 Ca -0.15 0.10 -0.46 0.00 0.52 0.00 0.00 54.79 54.80 2cui n ASP 19 Cb 0.67 -3.33 -0.11 0.00 -0.72 0.00 0.00 41.12 37.64 2cui n ASP 19 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2cui n VAL 20 N -3.50 0.03 -2.82 5.18 0.31 -1.26 -4.39 118.33 111.88 2cui n VAL 20 Ca -0.13 -0.19 -0.26 0.00 -0.01 0.00 0.00 64.34 63.75 2cui n VAL 20 Cb 0.60 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 8.55 4.64 0.20 2.52 2.01 0.49 -4.63 115.64 129.42 2cui s THR 21 Ca 1.20 -0.08 -0.17 0.00 0.31 0.00 0.00 61.69 62.96 2cui s THR 21 Cb -1.04 -3.75 0.20 0.00 0.01 0.00 0.00 72.50 67.92 2cui s THR 21 CO 0.49 -0.65 1.60 0.71 -0.69 0.00 0.00 174.62 176.08 2cui h THR 22 N 0.31 0.26 0.00 -0.82 1.35 -1.91 -2.72 112.91 109.38 2cui h THR 22 Ca -0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 2cui h THR 22 Cb 1.22 0.26 -0.03 0.00 -1.73 0.00 0.00 68.15 67.88 2cui h THR 22 CO 0.61 0.00 -0.27 -1.54 -0.25 0.00 0.00 175.52 174.07 2cui n SER 23 N -5.45 1.77 -2.90 5.36 3.41 -1.26 -3.63 113.62 110.93 2cui n SER 23 Ca 0.06 -3.08 -0.12 0.00 -0.26 0.00 0.00 58.87 55.47 2cui n SER 23 Cb 0.35 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2cui n SER 23 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cui n SER 24 N -1.03 -1.92 -3.71 4.04 7.64 -1.03 -0.34 113.62 117.28 2cui n SER 24 Ca 0.14 -2.74 0.01 0.00 1.01 0.00 0.00 58.87 57.29 2cui n SER 24 Cb 0.70 3.31 0.01 0.00 -1.01 0.00 0.00 64.21 67.22 2cui n SER 24 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2cui s LEU 25 N 0.00 -0.01 0.08 -3.43 0.05 -1.12 0.19 118.68 114.43 2cui s LEU 25 Ca 0.22 -0.25 0.05 0.00 0.05 0.00 0.00 54.13 54.19 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 0.16 -0.40 -0.13 -0.60 -0.55 0.00 0.00 176.35 174.83 2cui s ARG 26 N -2.16 0.82 0.31 1.48 3.52 -0.09 -2.85 118.95 119.98 2cui s ARG 26 Ca 0.24 -0.99 0.10 0.00 -0.13 0.00 0.00 55.73 54.96 2cui s ARG 26 Cb 0.01 -0.77 -0.05 0.00 -1.56 0.00 0.00 34.95 32.58 2cui s ARG 26 CO -0.01 0.16 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.04 2cui s LEU 27 N -1.86 2.79 -0.24 -0.88 1.43 0.33 -0.09 118.68 120.17 2cui s LEU 27 Ca -0.01 -1.03 -0.08 0.00 -1.03 0.00 0.00 54.13 51.99 2cui s LEU 27 Cb -0.09 -1.20 0.11 0.00 0.03 0.00 0.00 46.19 45.04 2cui s LEU 27 CO 0.02 -0.10 0.51 0.20 0.23 0.00 0.00 176.35 177.21 2cui s ASN 28 N -3.61 -0.59 0.01 2.29 0.01 -0.84 -3.74 114.94 108.49 2cui s ASN 28 Ca 0.32 1.19 0.02 0.00 -0.71 0.00 0.00 52.86 53.68 2cui s ASN 28 Cb -0.02 1.71 -0.01 0.00 0.41 0.00 0.00 41.25 43.34 2cui s ASN 28 CO 0.17 -0.23 -0.07 -1.66 -1.51 0.00 0.00 177.10 173.80 2cui s TRP 29 N 2.72 0.65 -0.13 2.20 -2.14 -1.22 -2.99 118.94 118.03 2cui s TRP 29 Ca -0.03 -0.24 -0.10 0.00 2.66 0.00 0.00 56.10 58.39 2cui s TRP 29 Cb -0.12 -0.40 -0.05 0.00 -3.10 0.00 0.00 33.47 29.80 2cui s TRP 29 CO -0.15 -0.03 0.21 -2.00 -2.66 0.00 0.00 176.95 172.32 2cui s GLU 30 N -0.66 3.86 -0.03 3.25 2.56 -1.26 -4.67 118.70 121.74 2cui s GLU 30 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.97 54.86 2cui s GLU 30 Cb -0.05 -3.30 0.01 0.00 2.00 0.00 0.00 34.13 32.79 2cui s GLU 30 CO 0.00 0.54 0.19 0.00 -0.56 0.00 0.00 175.26 175.43 2cui s ALA 31 N -0.40 -0.46 1.00 6.30 0.00 -1.26 -2.10 121.76 124.84 2cui s ALA 31 Ca 0.15 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 2cui s ALA 31 Cb -0.13 -0.07 0.19 0.00 0.00 0.00 0.00 23.12 23.11 2cui s ALA 31 CO 0.04 -0.17 1.09 -1.25 0.00 0.00 0.00 175.76 175.47 2cui s PRO 32 N -0.79 0.39 0.15 0.00 0.04 -1.26 -4.98 135.00 128.55 2cui s PRO 32 Ca -0.09 0.52 -0.31 0.00 0.04 0.00 0.00 61.00 61.16 2cui s PRO 32 Cb -0.05 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.68 2cui s PRO 32 CO 0.01 -2.76 1.33 -1.25 0.04 0.00 0.00 177.00 174.38 2cui s PRO 33 N -4.96 4.36 -1.50 0.56 0.04 -1.26 -2.91 135.00 129.32 2cui s PRO 33 Ca 0.65 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2cui s PRO 33 Cb -0.19 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2cui s PRO 33 CO 0.58 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.69 2cui n GLY 34 N 2.97 -0.21 0.21 0.56 0.00 -1.26 -4.90 105.19 102.55 2cui n GLY 34 Ca 0.09 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 0.77 0.27 -2.25 4.61 0.00 -1.91 -3.47 119.26 117.28 2cui h ALA 35 Ca -0.41 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 53.78 2cui h ALA 35 Cb 1.29 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.89 2cui h ALA 35 CO 0.49 0.70 -0.01 -0.06 0.00 0.00 0.00 179.25 180.37 2cui s PHE 36 N -3.55 -0.51 0.16 0.00 0.08 -1.26 -4.75 117.98 108.14 2cui s PHE 36 Ca -0.09 1.00 -0.13 0.00 0.12 0.00 0.00 56.93 57.83 2cui s PHE 36 Cb 0.08 0.26 0.06 0.00 -0.57 0.00 0.00 43.02 42.85 2cui s PHE 36 CO 0.90 -0.46 1.73 0.22 -0.10 0.00 0.00 175.22 177.51 2cui h ASP 37 N 3.90 0.75 -3.54 1.36 3.58 -0.82 -3.29 116.42 118.37 2cui h ASP 37 Ca -0.28 -0.16 -0.22 0.00 0.42 0.00 0.00 57.03 56.79 2cui h ASP 37 Cb 1.16 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.96 2cui h ASP 37 CO 0.32 0.70 -0.09 -1.54 -2.88 0.00 0.00 179.24 175.76 2cui n SER 38 N -4.52 -1.25 -3.81 2.28 3.41 -1.13 -2.84 113.62 105.76 2cui n SER 38 Ca 0.03 -2.59 -0.24 0.00 -0.26 0.00 0.00 58.87 55.80 2cui n SER 38 Cb 0.15 2.29 -0.17 0.00 -0.26 0.00 0.00 64.21 66.22 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 0.92 -0.43 7.33 0.08 0.51 -2.19 117.98 120.97 2cui s PHE 39 Ca 0.24 -0.34 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 2cui s PHE 39 Cb -0.01 -0.93 0.07 0.00 -0.57 0.00 0.00 43.02 41.57 2cui s PHE 39 CO 0.17 -0.39 0.30 -1.17 -0.10 0.00 0.00 175.22 174.04 2cui s LEU 40 N 1.89 5.26 -0.13 -0.37 2.96 -0.80 -2.41 118.68 125.08 2cui s LEU 40 Ca 0.05 -1.35 -0.18 0.00 -0.22 0.00 0.00 54.13 52.43 2cui s LEU 40 Cb -0.12 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2cui s LEU 40 CO -0.06 -0.55 0.45 -0.22 -1.32 0.00 0.00 176.35 174.65 2cui s LEU 41 N 1.53 4.27 -0.20 -0.68 2.96 -1.15 -1.53 118.68 123.88 2cui s LEU 41 Ca 0.03 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 2cui s LEU 41 Cb -0.23 -2.65 0.03 0.00 0.50 0.00 0.00 46.19 43.84 2cui s LEU 41 CO 0.05 0.01 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.78 2cui s ARG 42 N 0.63 2.76 -0.19 1.98 0.52 -0.18 -2.07 118.95 122.41 2cui s ARG 42 Ca 0.25 -0.94 -0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2cui s ARG 42 Cb -0.15 -2.62 0.00 0.00 0.52 0.00 0.00 34.95 32.71 2cui s ARG 42 CO 0.09 -0.30 -0.13 -0.59 0.02 0.00 0.00 175.30 174.40 2cui s PHE 43 N 1.26 2.85 0.12 -0.53 -0.71 -1.25 -1.50 117.98 118.21 2cui s PHE 43 Ca 0.02 -1.23 0.06 0.00 -1.04 0.00 0.00 56.93 54.73 2cui s PHE 43 Cb -0.15 -1.99 -0.04 0.00 -1.21 0.00 0.00 43.02 39.64 2cui s PHE 43 CO -0.11 -0.63 -0.15 0.20 -1.34 0.00 0.00 175.22 173.19 2cui s GLY 44 N 1.26 1.07 -0.41 1.99 0.00 -0.80 -4.59 107.32 105.85 2cui s GLY 44 Ca 0.03 -1.26 -0.29 0.00 0.00 0.00 0.00 44.72 43.20 2cui s GLY 44 CO -0.06 -1.31 1.18 0.14 0.00 0.00 0.00 173.10 173.05 2cui s VAL 45 N -1.94 4.24 -0.36 1.40 1.01 -1.26 -2.85 120.40 120.63 2cui s VAL 45 Ca 0.07 1.33 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 2cui s VAL 45 Cb -0.06 -4.45 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 2cui s VAL 45 CO 0.03 -0.77 1.71 -2.16 0.00 0.00 0.00 175.10 173.91 2cui s PRO 46 N 4.27 3.36 0.09 2.72 0.04 -1.26 -5.00 135.00 139.22 2cui s PRO 46 Ca 0.50 1.27 0.06 0.00 0.04 0.00 0.00 61.00 62.87 2cui s PRO 46 Cb -0.10 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 2cui s PRO 46 CO 0.26 -1.83 -0.05 -1.54 0.04 0.00 0.00 177.00 173.88 2cui s SER 47 N 5.67 4.70 0.70 6.66 1.04 -1.26 -5.08 113.70 126.13 2cui s SER 47 Ca 0.75 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.76 2cui s SER 47 Cb -0.20 -1.01 0.02 0.00 0.10 0.00 0.00 66.02 64.93 2cui s SER 47 CO 0.33 0.18 1.10 -2.16 0.98 0.00 0.00 173.24 173.67 2cui s PRO 48 N -2.22 2.62 -0.12 4.02 0.04 -1.26 -4.99 135.00 133.10 2cui s PRO 48 Ca 0.23 1.31 0.19 0.00 0.04 0.00 0.00 61.00 62.78 2cui s PRO 48 Cb -0.11 -1.93 -0.28 0.00 0.04 0.00 0.00 34.50 32.22 2cui s PRO 48 CO 0.16 -1.38 0.27 0.45 0.04 0.00 0.00 177.00 176.54 2cui n SER 49 N -2.79 0.06 0.11 6.66 2.88 -1.26 -4.31 113.62 114.98 2cui n SER 49 Ca 0.10 0.02 -0.02 0.00 -1.33 0.00 0.00 58.87 57.64 2cui n SER 49 Cb 0.52 1.32 0.04 0.00 -0.75 0.00 0.00 64.21 65.34 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 1.36 -3.56 2.46 1.35 -2.07 -3.45 112.91 109.00 2cui h THR 50 Ca -0.32 -2.62 -0.48 0.00 -0.55 0.00 0.00 66.41 62.44 2cui h THR 50 Cb 1.74 2.48 0.05 0.00 -1.73 0.00 0.00 68.15 70.68 2cui h THR 50 CO 0.02 0.71 0.13 -0.22 -0.25 0.00 0.00 175.52 175.91 2cui s LEU 51 N -6.90 3.40 0.19 3.87 2.96 -1.26 -5.06 118.68 115.87 2cui s LEU 51 Ca 0.01 0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 54.39 2cui s LEU 51 Cb 0.10 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 43.08 2cui s LEU 51 CO 0.77 -0.87 0.90 -1.61 -1.32 0.00 0.00 176.35 174.22 2cui s GLU 52 N -4.87 4.74 0.80 1.98 8.01 -1.26 -4.92 118.70 123.17 2cui s GLU 52 Ca 0.51 1.38 -0.11 0.00 0.01 0.00 0.00 54.97 56.77 2cui s GLU 52 Cb -0.10 -3.30 0.07 0.00 -4.31 0.00 0.00 34.13 26.49 2cui s GLU 52 CO 0.45 0.46 1.09 -1.25 0.01 0.00 0.00 175.26 176.01 2cui s PRO 53 N -0.87 2.05 0.16 0.39 0.04 -1.26 -5.03 135.00 130.49 2cui s PRO 53 Ca 0.41 1.10 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 2cui s PRO 53 Cb -0.24 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 2cui s PRO 53 CO 0.30 -1.77 0.64 -1.01 0.04 0.00 0.00 177.00 175.20 2cui s HIS 54 N -2.91 3.69 -2.00 0.56 3.76 -1.26 -4.95 115.29 112.18 2cui s HIS 54 Ca 0.62 1.28 0.14 0.00 -0.15 0.00 0.00 55.06 56.95 2cui s HIS 54 Cb -0.17 -2.53 0.85 0.00 1.11 0.00 0.00 32.58 31.84 2cui s HIS 54 CO 0.56 0.43 1.27 -0.35 -0.85 0.00 0.00 174.74 175.80 2cui n PRO 55 N 1.02 0.49 -3.86 8.40 -0.04 -1.26 -4.63 135.00 135.12 2cui n PRO 55 Ca -0.05 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.05 2cui n PRO 55 Cb 0.51 -1.46 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 2cui n PRO 55 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cui s ARG 56 N -2.00 3.83 0.52 0.54 0.52 -1.26 -5.09 118.95 116.01 2cui s ARG 56 Ca 0.21 -0.40 -0.20 0.00 -0.52 0.00 0.00 55.73 54.82 2cui s ARG 56 Cb 0.10 -3.32 -0.06 0.00 0.52 0.00 0.00 34.95 32.19 2cui s ARG 56 CO 0.16 0.02 1.14 -1.25 0.02 0.00 0.00 175.30 175.39 2cui s PRO 57 N 1.09 3.47 -0.18 3.54 0.04 -1.26 -5.04 135.00 136.65 2cui s PRO 57 Ca 0.05 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2cui s PRO 57 Cb -0.14 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2cui s PRO 57 CO 0.03 -0.77 -0.17 -0.51 0.04 0.00 0.00 177.00 175.63 2cui s LEU 58 N -3.59 2.32 0.28 -3.56 1.43 -1.26 -5.11 118.68 109.19 2cui s LEU 58 Ca 0.70 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 2cui s LEU 58 Cb -0.25 -1.53 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 2cui s LEU 58 CO 0.29 0.02 0.99 -0.22 0.23 0.00 0.00 176.35 177.66 2cui s LEU 59 N 1.18 4.52 0.08 1.79 0.20 -1.26 -5.05 118.68 120.13 2cui s LEU 59 Ca 0.02 2.01 0.01 0.00 0.69 0.00 0.00 54.13 56.86 2cui s LEU 59 Cb -0.14 -3.75 -0.04 0.00 -0.43 0.00 0.00 46.19 41.84 2cui s LEU 59 CO -0.08 -0.01 0.19 -1.58 -0.29 0.00 0.00 176.35 174.58 2cui s GLN 60 N -1.53 3.32 0.23 1.98 2.00 -1.26 -5.05 119.66 119.34 2cui s GLN 60 Ca 0.45 -0.52 -0.08 0.00 -2.00 0.00 0.00 55.36 53.22 2cui s GLN 60 Cb -0.26 -2.96 -0.02 0.00 0.80 0.00 0.00 33.01 30.57 2cui s GLN 60 CO 0.32 0.59 0.34 1.03 -0.50 0.00 0.00 175.29 177.07 2cui s ARG 61 N -2.57 1.42 0.15 1.67 0.52 -1.26 -5.15 118.95 113.73 2cui s ARG 61 Ca 0.34 -1.41 -0.19 0.00 -0.52 0.00 0.00 55.73 53.94 2cui s ARG 61 Cb -0.13 0.39 0.05 0.00 0.52 0.00 0.00 34.95 35.78 2cui s ARG 61 CO 0.27 -0.55 0.50 -1.83 0.02 0.00 0.00 175.30 173.71 2cui s GLU 62 N -4.05 1.21 0.19 3.54 1.03 -1.26 -3.92 118.70 115.44 2cui s GLU 62 Ca 0.29 -0.64 0.06 0.00 0.03 0.00 0.00 54.97 54.71 2cui s GLU 62 Cb 0.02 0.53 -0.04 0.00 -0.80 0.00 0.00 34.13 33.84 2cui s GLU 62 CO 0.11 -0.50 0.15 -1.17 -1.33 0.00 0.00 175.26 172.51 2cui s LEU 63 N -2.79 3.79 -0.28 1.83 2.96 -0.88 -4.92 118.68 118.39 2cui s LEU 63 Ca 0.03 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 2cui s LEU 63 Cb 0.00 -2.39 0.08 0.00 0.50 0.00 0.00 46.19 44.39 2cui s LEU 63 CO -0.11 0.04 -0.00 -0.32 -1.32 0.00 0.00 176.35 174.64 2cui s MET 64 N -3.28 1.49 -0.03 1.98 1.75 -1.26 -2.91 119.30 117.04 2cui s MET 64 Ca 0.31 -1.30 0.03 0.00 -1.25 0.00 0.00 55.69 53.48 2cui s MET 64 Cb -0.09 -2.70 0.00 0.00 2.84 0.00 0.00 34.83 34.88 2cui s MET 64 CO 0.24 -0.76 -0.11 0.08 -0.65 0.00 0.00 175.02 173.81 2cui s VAL 65 N 1.26 0.98 0.59 10.11 1.01 -1.01 -4.96 120.40 128.38 2cui s VAL 65 Ca 0.01 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 2cui s VAL 65 Cb -0.19 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2cui s VAL 65 CO -0.10 0.30 1.12 -2.16 0.00 0.00 0.00 175.10 174.26 2cui s PRO 66 N 0.15 3.12 0.25 2.72 0.04 -1.26 0.19 135.00 140.20 2cui s PRO 66 Ca -0.03 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 2cui s PRO 66 Cb -0.09 -1.98 0.48 0.00 0.04 0.00 0.00 34.50 32.94 2cui s PRO 66 CO 0.01 -1.02 1.64 0.78 0.04 0.00 0.00 177.00 178.45 2cui h GLY 67 N 0.70 0.94 0.78 0.56 0.00 -1.59 0.61 103.07 105.06 2cui h GLY 67 Ca -0.49 0.07 0.14 0.00 0.00 0.00 0.00 47.33 47.05 2cui h GLY 67 CO 0.56 -0.29 0.48 0.00 0.00 0.00 0.00 176.54 177.29 2cui h THR 68 N 0.14 0.39 -3.38 4.70 1.03 -1.88 -3.37 112.91 110.54 2cui h THR 68 Ca 0.43 0.00 -0.65 0.00 -0.01 0.00 0.00 66.41 66.18 2cui h THR 68 Cb 0.78 0.62 -0.26 0.00 -1.07 0.00 0.00 68.15 68.22 2cui h THR 68 CO -0.64 0.00 -0.71 -0.13 -0.01 0.00 0.00 175.52 174.02 2cui s ARG 69 N -4.65 3.46 -0.68 0.00 0.52 0.21 -5.04 118.95 112.78 2cui s ARG 69 Ca -0.04 -0.60 0.05 0.00 -0.52 0.00 0.00 55.73 54.61 2cui s ARG 69 Cb 0.16 -2.94 0.28 0.00 0.52 0.00 0.00 34.95 32.97 2cui s ARG 69 CO 0.57 -0.02 0.89 0.72 0.02 0.00 0.00 175.30 177.47 2cui n HIS 70 N 4.28 3.60 -4.00 -0.53 8.25 -1.26 -4.32 115.22 121.25 2cui n HIS 70 Ca -0.18 -3.94 -0.08 0.00 -0.26 0.00 0.00 57.72 53.26 2cui n HIS 70 Cb 0.52 -0.62 -0.10 0.00 1.12 0.00 0.00 29.99 30.90 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 -2.61 0.31 -0.30 0.41 1.04 -1.26 -3.39 113.70 107.90 2cui s SER 71 Ca 0.41 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 56.01 2cui s SER 71 Cb 0.17 0.19 0.12 0.00 0.10 0.00 0.00 66.02 66.61 2cui s SER 71 CO -0.03 -0.51 0.69 0.00 0.98 0.00 0.00 173.24 174.37 2cui s ALA 72 N -2.95 -2.07 -0.15 5.32 0.00 -1.24 -4.88 121.76 115.78 2cui s ALA 72 Ca -0.02 2.34 0.01 0.00 0.00 0.00 0.00 51.96 54.29 2cui s ALA 72 Cb 0.01 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.41 2cui s ALA 72 CO -0.06 -0.82 -0.19 0.08 0.00 0.00 0.00 175.76 174.77 2cui s VAL 73 N 2.62 1.87 -0.10 0.00 1.01 -1.26 -0.51 120.40 124.03 2cui s VAL 73 Ca -0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 2cui s VAL 73 Cb -0.10 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2cui s VAL 73 CO -0.19 0.51 0.07 -0.76 0.00 0.00 0.00 175.10 174.73 2cui s LEU 74 N 1.16 3.98 0.44 3.92 2.01 -1.13 -4.97 118.68 124.08 2cui s LEU 74 Ca 0.00 0.30 0.03 0.00 0.01 0.00 0.00 54.13 54.47 2cui s LEU 74 Cb -0.14 -1.95 -0.03 0.00 0.01 0.00 0.00 46.19 44.08 2cui s LEU 74 CO -0.08 0.39 0.06 -0.13 1.01 0.00 0.00 176.35 177.61 2cui s ARG 75 N -0.97 2.00 -1.65 1.70 0.52 -1.26 -2.80 118.95 116.48 2cui s ARG 75 Ca 0.14 -2.23 0.00 0.00 -0.52 0.00 0.00 55.73 53.13 2cui s ARG 75 Cb -0.12 -1.07 0.00 0.00 0.52 0.00 0.00 34.95 34.28 2cui s ARG 75 CO 0.03 -0.36 0.00 -0.25 0.02 0.00 0.00 175.30 174.74 2cui n ASP 76 N -1.19 -5.16 -4.60 0.23 8.00 -1.17 -4.95 116.55 107.70 2cui n ASP 76 Ca -0.10 0.15 -0.27 0.00 0.71 0.00 0.00 54.79 55.27 2cui n ASP 76 Cb 0.66 -4.23 0.12 0.00 -0.02 0.00 0.00 41.12 37.65 2cui n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cui s LEU 77 N -4.70 2.75 0.65 0.64 1.43 0.54 -5.06 118.68 114.92 2cui s LEU 77 Ca 0.00 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2cui s LEU 77 Cb 0.00 -2.67 0.09 0.00 0.03 0.00 0.00 46.19 43.63 2cui s LEU 77 CO 0.00 -2.10 0.90 -0.13 0.23 0.00 0.00 176.35 175.25 2cui s ARG 78 N -5.52 2.06 -0.13 1.70 0.52 -1.26 -4.59 118.95 111.73 2cui s ARG 78 Ca 0.66 -0.96 -0.08 0.00 -0.52 0.00 0.00 55.73 54.83 2cui s ARG 78 Cb -0.07 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 2cui s ARG 78 CO 0.48 -1.14 0.16 -1.54 0.02 0.00 0.00 175.30 173.29 2cui s SER 79 N -4.60 6.39 -1.47 0.23 1.04 -1.26 -4.41 113.70 109.63 2cui s SER 79 Ca 0.62 0.47 -0.06 0.00 0.48 0.00 0.00 55.95 57.47 2cui s SER 79 Cb -0.08 -2.09 0.04 0.00 0.10 0.00 0.00 66.02 64.00 2cui s SER 79 CO 0.42 0.36 0.61 0.61 0.98 0.00 0.00 173.24 176.21 2cui n GLY 80 N 2.26 -0.31 3.03 7.32 0.00 -1.20 -4.84 105.19 111.44 2cui n GLY 80 Ca -0.19 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.70 0.75 -0.05 2.61 2.01 -1.26 -4.90 115.64 111.11 2cui s THR 81 Ca 0.24 -0.40 -0.28 0.00 0.31 0.00 0.00 61.69 61.56 2cui s THR 81 Cb -0.13 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 2cui s THR 81 CO 0.88 0.22 0.92 -0.22 -0.69 0.00 0.00 174.62 175.73 2cui s LEU 82 N -0.17 4.32 -0.07 4.42 1.98 -1.26 -2.35 118.68 125.55 2cui s LEU 82 Ca 0.03 1.51 0.01 0.00 -2.89 0.00 0.00 54.13 52.79 2cui s LEU 82 Cb -0.04 -3.45 -0.03 0.00 0.66 0.00 0.00 46.19 43.33 2cui s LEU 82 CO -0.00 -0.28 -0.08 -0.31 -1.89 0.00 0.00 176.35 173.78 2cui s TYR 83 N 1.26 2.89 -0.46 5.38 1.51 -0.69 -4.56 117.35 122.68 2cui s TYR 83 Ca 0.47 -0.04 -0.17 0.00 -1.01 0.00 0.00 57.07 56.32 2cui s TYR 83 Cb -0.19 -1.71 0.05 0.00 -0.11 0.00 0.00 41.96 40.00 2cui s TYR 83 CO 0.23 0.28 0.47 0.45 -1.11 0.00 0.00 175.55 175.87 2cui s SER 84 N -0.73 6.18 0.03 2.29 0.15 -1.13 -2.98 113.70 117.51 2cui s SER 84 Ca 0.11 -0.94 0.01 0.00 0.70 0.00 0.00 55.95 55.82 2cui s SER 84 Cb -0.11 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 2cui s SER 84 CO 0.01 -0.68 0.08 -0.76 1.20 0.00 0.00 173.24 173.10 2cui s LEU 85 N 2.11 3.88 -0.22 3.45 1.43 -0.62 -1.90 118.68 126.81 2cui s LEU 85 Ca 0.10 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2cui s LEU 85 Cb -0.20 -2.37 0.12 0.00 0.03 0.00 0.00 46.19 43.77 2cui s LEU 85 CO 0.11 0.24 0.36 -0.89 0.23 0.00 0.00 176.35 176.40 2cui s THR 86 N -1.27 -0.58 0.30 5.49 2.01 -0.56 -0.86 115.64 120.17 2cui s THR 86 Ca 0.25 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.15 2cui s THR 86 Cb -0.12 -0.74 -0.07 0.00 0.01 0.00 0.00 72.50 71.57 2cui s THR 86 CO 0.17 -0.07 0.64 -0.22 -0.69 0.00 0.00 174.62 174.45 2cui s LEU 87 N 2.53 4.06 -0.09 4.42 2.96 -0.58 -1.01 118.68 130.98 2cui s LEU 87 Ca 0.08 1.03 -0.00 0.00 -0.22 0.00 0.00 54.13 55.02 2cui s LEU 87 Cb -0.14 -3.84 0.02 0.00 0.50 0.00 0.00 46.19 42.73 2cui s LEU 87 CO -0.14 -0.19 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.34 2cui s TYR 88 N -2.00 1.17 -1.08 5.38 2.02 -0.58 -1.75 117.35 120.50 2cui s TYR 88 Ca 0.50 -0.51 -0.21 0.00 -0.37 0.00 0.00 57.07 56.48 2cui s TYR 88 Cb -0.11 -1.04 0.07 0.00 -0.40 0.00 0.00 41.96 40.48 2cui s TYR 88 CO 0.23 -0.41 1.49 0.20 -1.57 0.00 0.00 175.55 175.49 2cui s GLY 89 N 1.64 1.46 -0.36 0.71 0.00 0.02 -1.90 107.32 108.89 2cui s GLY 89 Ca 0.02 -2.51 -0.28 0.00 0.00 0.00 0.00 44.72 41.95 2cui s GLY 89 CO -0.06 2.61 1.87 1.08 0.00 0.00 0.00 173.10 178.60 2cui s LEU 90 N 4.46 3.47 -0.03 0.66 2.01 -0.93 -1.37 118.68 126.95 2cui s LEU 90 Ca 0.47 1.24 0.08 0.00 0.01 0.00 0.00 54.13 55.92 2cui s LEU 90 Cb 0.00 -3.36 0.28 0.00 0.01 0.00 0.00 46.19 43.12 2cui s LEU 90 CO -0.05 -1.86 1.14 -1.14 1.01 0.00 0.00 176.35 175.45 2cui n ARG 91 N 8.57 1.95 0.00 1.70 3.00 -1.20 -0.15 116.66 130.53 2cui n ARG 91 Ca 0.24 -1.11 0.00 0.00 -0.00 0.00 0.00 57.85 56.98 2cui n ARG 91 Cb 0.48 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.53 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 0.74 0.91 0.08 5.14 0.00 -1.26 -4.67 105.19 106.13 2cui n GLY 92 Ca 0.10 -0.41 -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 -0.08 -5.71 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 30.99 2cui h PRO 93 CO 0.00 0.38 -0.75 -3.38 -0.23 0.00 0.00 178.00 174.02 2cui s HIS 94 N -4.21 1.77 0.49 1.56 -3.43 -1.26 -5.13 115.29 105.08 2cui s HIS 94 Ca -0.15 -0.52 -0.23 0.00 -0.80 0.00 0.00 55.06 53.36 2cui s HIS 94 Cb 0.02 -0.84 -0.07 0.00 -1.43 0.00 0.00 32.58 30.26 2cui s HIS 94 CO 0.63 0.37 1.23 -1.59 -2.00 0.00 0.00 174.74 173.38 2cui s LYS 95 N -3.35 3.57 -0.17 -0.38 -2.85 -1.26 -3.23 119.74 112.07 2cui s LYS 95 Ca 0.20 1.93 -0.12 0.00 -1.00 0.00 0.00 55.97 56.98 2cui s LYS 95 Cb -0.03 -2.37 -0.07 0.00 -2.06 0.00 0.00 37.83 33.30 2cui s LYS 95 CO 0.07 -0.75 -0.27 0.00 0.10 0.00 0.00 175.35 174.50 2cui n ALA 96 N -0.64 1.54 -2.56 0.59 0.00 -0.47 -4.85 120.51 114.13 2cui n ALA 96 Ca 0.08 -0.75 -0.26 0.00 0.00 0.00 0.00 53.44 52.51 2cui n ALA 96 Cb 0.47 0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 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 -6.50 3.95 -0.29 0.00 2.15 -1.24 -4.72 116.67 110.03 2cui s ASP 97 Ca -0.26 -1.21 -0.10 0.00 0.43 0.00 0.00 52.55 51.41 2cui s ASP 97 Cb 0.08 -0.42 0.12 0.00 -0.30 0.00 0.00 42.92 42.40 2cui s ASP 97 CO 0.35 -0.34 0.62 -0.94 -0.17 0.00 0.00 175.17 174.69 2cui s SER 98 N -3.70 -1.03 0.04 -0.34 1.04 -1.26 -0.80 113.70 107.66 2cui s SER 98 Ca 0.35 1.50 0.03 0.00 0.48 0.00 0.00 55.95 58.31 2cui s SER 98 Cb 0.05 2.15 -0.04 0.00 0.10 0.00 0.00 66.02 68.28 2cui s SER 98 CO 0.18 -0.22 0.00 -0.51 0.98 0.00 0.00 173.24 173.67 2cui s ILE 99 N 2.81 4.09 -0.31 -1.02 2.07 -0.72 -4.96 121.20 123.16 2cui s ILE 99 Ca -0.06 -0.79 -0.08 0.00 -1.41 0.00 0.00 60.65 58.31 2cui s ILE 99 Cb -0.12 -2.89 0.01 0.00 0.13 0.00 0.00 42.46 39.59 2cui s ILE 99 CO -0.18 0.25 0.13 -1.10 -1.91 0.00 0.00 174.94 172.12 2cui s GLN 100 N -1.93 3.15 -0.16 3.50 -0.21 -1.26 -1.53 119.66 121.22 2cui s GLN 100 Ca 0.23 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.78 2cui s GLN 100 Cb -0.12 -3.50 0.03 0.00 1.00 0.00 0.00 33.01 30.42 2cui s GLN 100 CO 0.14 -0.47 -0.15 0.20 -2.12 0.00 0.00 175.29 172.90 2cui s GLY 101 N 1.55 1.21 0.11 3.09 0.00 -0.04 -4.91 107.32 108.33 2cui s GLY 101 Ca 0.03 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 43.77 2cui s GLY 101 CO 0.05 0.50 0.03 -0.51 0.00 0.00 0.00 173.10 173.17 2cui s THR 102 N 1.42 4.15 -0.13 0.90 -4.23 -1.26 -1.58 115.64 114.91 2cui s THR 102 Ca 0.04 -1.01 -0.29 0.00 -1.18 0.00 0.00 61.69 59.25 2cui s THR 102 Cb -0.13 -3.01 0.07 0.00 1.34 0.00 0.00 72.50 70.76 2cui s THR 102 CO -0.11 0.06 0.69 0.00 -0.54 0.00 0.00 174.62 174.73 2cui s ALA 103 N -1.44 -1.77 -0.01 3.99 0.00 -1.16 -4.79 121.76 116.58 2cui s ALA 103 Ca 0.27 1.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.79 2cui s ALA 103 Cb -0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2cui s ALA 103 CO 0.20 -0.36 0.13 0.50 0.00 0.00 0.00 175.76 176.23 2cui s ARG 104 N -0.62 3.24 0.58 0.00 6.06 -1.26 -1.70 118.95 125.24 2cui s ARG 104 Ca -0.07 -0.41 -0.03 0.00 -2.50 0.00 0.00 55.73 52.72 2cui s ARG 104 Cb -0.02 -2.97 0.03 0.00 0.06 0.00 0.00 34.95 32.05 2cui s ARG 104 CO 0.07 0.66 0.85 0.95 -2.50 0.00 0.00 175.30 175.33 2cui s THR 105 N -1.26 3.12 0.06 4.11 -4.23 -0.99 -4.95 115.64 111.51 2cui s THR 105 Ca 0.25 -0.34 -0.19 0.00 -1.18 0.00 0.00 61.69 60.23 2cui s THR 105 Cb -0.12 -3.23 -0.06 0.00 1.34 0.00 0.00 72.50 70.42 2cui s THR 105 CO 0.16 -0.20 0.57 -0.76 -0.54 0.00 0.00 174.62 173.85 2cui s LEU 106 N -4.91 4.51 0.39 4.79 1.43 -1.20 -3.42 118.68 120.27 2cui s LEU 106 Ca 0.55 1.24 0.13 0.00 -1.03 0.00 0.00 54.13 55.03 2cui s LEU 106 Cb -0.10 -2.89 0.78 0.00 0.03 0.00 0.00 46.19 44.01 2cui s LEU 106 CO 0.42 0.25 1.86 0.28 0.23 0.00 0.00 176.35 179.39 2cui h SER 107 N 4.69 0.00 -4.44 2.29 0.02 -1.88 -3.18 113.55 111.05 2cui h SER 107 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2cui h SER 107 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2cui h SER 107 CO 0.64 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 2cui n GLY 108 N -0.54 -0.48 3.72 -3.77 0.00 -1.26 -4.74 105.19 98.12 2cui n GLY 108 Ca -0.02 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 2cui n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cui s PRO 109 N -3.10 4.36 -0.19 1.61 0.04 -1.26 -4.94 135.00 131.52 2cui s PRO 109 Ca 0.00 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2cui s PRO 109 Cb 0.00 -3.24 -0.22 0.00 0.04 0.00 0.00 34.50 31.09 2cui s PRO 109 CO 0.00 -0.35 0.09 -1.13 0.04 0.00 0.00 177.00 175.65 2cui n SER 110 N 3.44 1.71 -4.43 6.66 3.41 -1.26 -4.93 113.62 118.22 2cui n SER 110 Ca 0.09 0.04 -0.33 0.00 -0.26 0.00 0.00 58.87 58.42 2cui n SER 110 Cb 0.43 -0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 2cui n SER 110 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cui s SER 111 N -6.54 4.00 0.00 4.04 0.15 -1.26 -5.34 113.70 108.74 2cui s SER 111 Ca -0.25 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2cui s SER 111 Cb 0.08 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 2cui s SER 111 CO 0.70 0.27 0.00 0.61 1.20 0.00 0.00 173.24 176.03