#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cui n SER 2 N 0.00 -2.36 -0.08 1.61 7.64 -1.26 -4.98 113.62 114.19 2cui n SER 2 Ca 0.00 0.03 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 2cui n SER 2 Cb 0.00 -1.02 -0.07 0.00 -1.01 0.00 0.00 64.21 62.11 2cui n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cui n SER 3 N -1.36 2.22 0.00 6.43 7.64 -1.26 -5.00 113.62 122.29 2cui n SER 3 Ca 0.02 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2cui n SER 3 Cb 0.60 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2cui n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cui n GLY 4 N 2.50 0.87 3.52 0.23 0.00 -1.26 -5.02 105.19 106.02 2cui n GLY 4 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.00 4.71 -0.28 1.61 0.15 -1.26 -5.09 113.70 112.53 2cui s SER 5 Ca 0.00 -0.10 -0.23 0.00 0.70 0.00 0.00 55.95 56.31 2cui s SER 5 Cb 0.00 -1.60 0.12 0.00 -1.71 0.00 0.00 66.02 62.83 2cui s SER 5 CO 0.00 0.23 0.99 -0.55 1.20 0.00 0.00 173.24 175.11 2cui s SER 6 N -0.00 -0.49 1.11 5.45 0.15 -1.26 -5.10 113.70 113.56 2cui s SER 6 Ca 0.00 0.91 -0.13 0.00 0.70 0.00 0.00 55.95 57.44 2cui s SER 6 Cb -0.13 0.98 0.20 0.00 -1.71 0.00 0.00 66.02 65.36 2cui s SER 6 CO 0.03 -0.16 0.45 0.61 1.20 0.00 0.00 173.24 175.37 2cui n GLY 7 N 2.55 -3.07 3.89 9.45 0.00 -1.26 -4.98 105.19 111.77 2cui n GLY 7 Ca -0.14 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 2cui n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cui s SER 8 N -2.35 5.74 -0.11 1.61 1.04 -1.26 -5.07 113.70 113.30 2cui s SER 8 Ca 0.35 1.10 -0.28 0.00 0.48 0.00 0.00 55.95 57.60 2cui s SER 8 Cb -0.06 -2.05 0.07 0.00 0.10 0.00 0.00 66.02 64.08 2cui s SER 8 CO 0.29 -1.10 0.66 -0.13 0.98 0.00 0.00 173.24 173.94 2cui s ARG 9 N -5.19 0.96 0.33 4.02 0.52 -1.26 -5.16 118.95 113.18 2cui s ARG 9 Ca 0.56 0.42 -0.28 0.00 -0.52 0.00 0.00 55.73 55.91 2cui s ARG 9 Cb -0.11 0.46 -0.10 0.00 0.52 0.00 0.00 34.95 35.72 2cui s ARG 9 CO 0.50 -0.26 1.22 -1.25 0.02 0.00 0.00 175.30 175.54 2cui s PRO 10 N -0.77 4.37 0.51 3.54 0.04 -1.26 -5.05 135.00 136.38 2cui s PRO 10 Ca -0.08 2.02 0.01 0.00 0.04 0.00 0.00 61.00 62.98 2cui s PRO 10 Cb -0.02 -3.02 -0.00 0.00 0.04 0.00 0.00 34.50 31.50 2cui s PRO 10 CO 0.07 -0.10 0.03 0.54 0.04 0.00 0.00 177.00 177.58 2cui n ARG 11 N 0.75 0.69 -3.31 4.56 3.00 -1.26 -4.85 116.66 116.24 2cui n ARG 11 Ca 0.01 -3.81 -0.21 0.00 -0.01 0.00 0.00 57.85 53.82 2cui n ARG 11 Cb 0.44 1.21 0.00 0.00 0.00 0.00 0.00 32.46 34.11 2cui n ARG 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2cui s LEU 12 N 0.00 3.87 0.50 0.55 1.43 -1.26 -4.43 118.68 119.34 2cui s LEU 12 Ca 0.04 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 2cui s LEU 12 Cb 0.00 -2.98 0.03 0.00 0.03 0.00 0.00 46.19 43.27 2cui s LEU 12 CO 0.03 -0.50 0.53 -0.55 0.23 0.00 0.00 176.35 176.09 2cui s SER 13 N -4.16 5.02 -0.31 2.29 0.15 -0.33 -4.97 113.70 111.39 2cui s SER 13 Ca 0.45 -0.88 -0.34 0.00 0.70 0.00 0.00 55.95 55.89 2cui s SER 13 Cb -0.10 -0.05 -0.10 0.00 -1.71 0.00 0.00 66.02 64.07 2cui s SER 13 CO 0.34 -1.00 2.18 0.00 1.20 0.00 0.00 173.24 175.96 2cui n GLN 14 N -1.85 1.31 -2.77 5.44 10.64 -1.26 -4.57 117.38 124.31 2cui n GLN 14 Ca 0.06 0.36 -0.43 0.00 -1.83 0.00 0.00 57.00 55.17 2cui n GLN 14 Cb 0.62 -2.64 -0.04 0.00 -0.86 0.00 0.00 30.24 27.33 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 7.38 3.96 0.33 2.61 2.96 -1.26 -4.65 118.68 130.00 2cui s LEU 15 Ca 1.07 -0.43 0.07 0.00 -0.22 0.00 0.00 54.13 54.61 2cui s LEU 15 Cb -0.74 -2.76 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 2cui s LEU 15 CO 0.46 -1.38 0.36 -0.44 -1.32 0.00 0.00 176.35 174.04 2cui s SER 16 N 3.14 5.62 -0.22 3.68 0.01 -1.19 -4.67 113.70 120.07 2cui s SER 16 Ca 0.31 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.25 2cui s SER 16 Cb -0.12 -1.13 0.04 0.00 0.21 0.00 0.00 66.02 65.01 2cui s SER 16 CO 0.18 -0.36 -0.14 -0.69 0.41 0.00 0.00 173.24 172.63 2cui s VAL 17 N -2.23 2.21 0.38 3.43 1.01 -1.26 -2.31 120.40 121.63 2cui s VAL 17 Ca 0.42 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 61.24 2cui s VAL 17 Cb -0.08 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2cui s VAL 17 CO 0.28 0.26 0.09 0.42 0.00 0.00 0.00 175.10 176.15 2cui s THR 18 N 1.21 2.47 -1.81 3.92 -4.23 0.11 -4.65 115.64 112.66 2cui s THR 18 Ca -0.01 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2cui s THR 18 Cb -0.16 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.76 2cui s THR 18 CO -0.09 -0.10 0.00 -0.67 -0.54 0.00 0.00 174.62 173.23 2cui n ASP 19 N -1.09 -5.82 -4.46 3.99 2.03 -1.26 -0.68 116.55 109.26 2cui n ASP 19 Ca -0.03 0.04 -0.44 0.00 0.52 0.00 0.00 54.79 54.88 2cui n ASP 19 Cb 0.64 -4.86 -0.11 0.00 -0.72 0.00 0.00 41.12 36.06 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 -3.83 0.01 -3.03 5.18 0.31 -1.26 -4.37 118.33 111.34 2cui n VAL 20 Ca -0.24 -0.21 -0.30 0.00 -0.01 0.00 0.00 64.34 63.59 2cui n VAL 20 Cb 0.69 -1.17 -0.03 0.00 -0.91 0.00 0.00 33.84 32.42 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 8.95 4.88 0.23 2.52 2.01 0.55 -4.60 115.64 130.17 2cui s THR 21 Ca 1.21 0.40 -0.14 0.00 0.31 0.00 0.00 61.69 63.47 2cui s THR 21 Cb -1.00 -3.74 0.28 0.00 0.01 0.00 0.00 72.50 68.05 2cui s THR 21 CO 0.47 -0.45 1.46 0.35 -0.69 0.00 0.00 174.62 175.76 2cui n THR 22 N -1.18 -0.47 -1.49 -0.82 -2.24 -1.26 -1.43 114.28 105.39 2cui n THR 22 Ca 0.01 2.19 0.07 0.00 -2.27 0.00 0.00 64.05 64.05 2cui n THR 22 Cb 0.54 -2.93 0.14 0.00 -2.10 0.00 0.00 70.33 65.98 2cui n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2cui n SER 23 N -5.42 1.76 -2.67 3.42 7.64 -1.26 -3.51 113.62 113.58 2cui n SER 23 Ca 0.11 -3.21 -0.10 0.00 1.01 0.00 0.00 58.87 56.68 2cui n SER 23 Cb 0.40 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2cui n SER 23 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cui n SER 24 N -1.01 -1.66 -3.68 6.43 7.64 -0.51 -0.72 113.62 120.11 2cui n SER 24 Ca 0.15 -2.53 0.01 0.00 1.01 0.00 0.00 58.87 57.50 2cui n SER 24 Cb 0.71 2.88 0.01 0.00 -1.01 0.00 0.00 64.21 66.80 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 0.03 -3.43 0.05 -1.20 0.20 118.68 114.32 2cui s LEU 25 Ca 0.19 -0.32 0.03 0.00 0.05 0.00 0.00 54.13 54.08 2cui s LEU 25 Cb -0.03 1.54 -0.02 0.00 -2.05 0.00 0.00 46.19 45.64 2cui s LEU 25 CO 0.14 -0.49 -0.09 -0.60 -0.55 0.00 0.00 176.35 174.77 2cui s ARG 26 N -2.13 0.61 0.25 1.48 3.52 0.15 -3.30 118.95 119.52 2cui s ARG 26 Ca 0.25 -0.58 0.10 0.00 -0.13 0.00 0.00 55.73 55.37 2cui s ARG 26 Cb -0.00 -0.51 -0.04 0.00 -1.56 0.00 0.00 34.95 32.84 2cui s ARG 26 CO 0.01 0.12 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.07 2cui s LEU 27 N -1.00 3.11 -0.23 -0.88 1.43 0.15 0.05 118.68 121.30 2cui s LEU 27 Ca -0.03 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.35 2cui s LEU 27 Cb -0.07 -1.65 0.12 0.00 0.03 0.00 0.00 46.19 44.62 2cui s LEU 27 CO 0.00 0.02 0.45 0.20 0.23 0.00 0.00 176.35 177.26 2cui s ASN 28 N -3.53 -0.34 0.21 2.29 0.01 -0.98 -3.56 114.94 109.03 2cui s ASN 28 Ca 0.30 0.84 0.06 0.00 -0.71 0.00 0.00 52.86 53.35 2cui s ASN 28 Cb -0.07 1.49 -0.05 0.00 0.41 0.00 0.00 41.25 43.03 2cui s ASN 28 CO 0.19 -0.25 -0.09 -1.66 -1.51 0.00 0.00 177.10 173.78 2cui s TRP 29 N 2.66 1.59 -0.04 2.20 -2.14 -1.21 -3.14 118.94 118.87 2cui s TRP 29 Ca 0.04 -0.72 0.07 0.00 2.66 0.00 0.00 56.10 58.15 2cui s TRP 29 Cb -0.13 -0.83 -0.01 0.00 -3.10 0.00 0.00 33.47 29.40 2cui s TRP 29 CO -0.15 0.18 -0.24 -2.00 -2.66 0.00 0.00 176.95 172.08 2cui s GLU 30 N -3.73 2.17 0.00 3.25 2.56 -1.26 -4.69 118.70 117.00 2cui s GLU 30 Ca 0.23 -0.86 -0.07 0.00 0.00 0.00 0.00 54.97 54.27 2cui s GLU 30 Cb 0.02 -1.97 0.00 0.00 2.00 0.00 0.00 34.13 34.18 2cui s GLU 30 CO 0.06 0.45 0.13 0.00 -0.56 0.00 0.00 175.26 175.34 2cui s ALA 31 N -0.36 -0.30 0.92 6.30 0.00 -1.26 -1.19 121.76 125.86 2cui s ALA 31 Ca 0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 2cui s ALA 31 Cb -0.11 0.11 0.14 0.00 0.00 0.00 0.00 23.12 23.27 2cui s ALA 31 CO 0.01 -0.21 1.09 -1.25 0.00 0.00 0.00 175.76 175.41 2cui s PRO 32 N -1.39 1.04 0.44 0.00 0.04 -1.26 -5.00 135.00 128.85 2cui s PRO 32 Ca -0.15 0.74 -0.24 0.00 0.04 0.00 0.00 61.00 61.39 2cui s PRO 32 Cb -0.08 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 2cui s PRO 32 CO 0.01 -2.37 1.17 -1.25 0.04 0.00 0.00 177.00 174.60 2cui s PRO 33 N -4.94 3.87 -1.44 0.56 0.04 -1.26 -3.29 135.00 128.53 2cui s PRO 33 Ca 0.64 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 63.42 2cui s PRO 33 Cb -0.18 -2.51 0.04 0.00 0.04 0.00 0.00 34.50 31.88 2cui s PRO 33 CO 0.57 -0.47 0.59 0.41 0.04 0.00 0.00 177.00 178.14 2cui n GLY 34 N 0.52 -0.51 0.02 0.56 0.00 -1.26 -4.91 105.19 99.61 2cui n GLY 34 Ca 0.06 0.12 -0.02 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 n ALA 35 N -3.62 0.15 -2.56 4.61 0.00 -1.21 -5.01 120.51 112.87 2cui n ALA 35 Ca -0.06 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 2cui n ALA 35 Cb 0.58 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.41 1.64 0.05 0.00 0.08 -1.26 -4.64 117.98 112.43 2cui s PHE 36 Ca -0.05 -0.40 -0.17 0.00 0.12 0.00 0.00 56.93 56.43 2cui s PHE 36 Cb 0.01 -0.93 -0.21 0.00 -0.57 0.00 0.00 43.02 41.32 2cui s PHE 36 CO 0.07 0.13 1.19 0.22 -0.10 0.00 0.00 175.22 176.73 2cui h ASP 37 N 4.45 0.72 -5.61 1.36 3.58 -0.25 -3.33 116.42 117.34 2cui h ASP 37 Ca -0.43 -0.71 -0.31 0.00 0.42 0.00 0.00 57.03 56.00 2cui h ASP 37 Cb 1.18 -0.22 -0.10 0.00 1.72 0.00 0.00 39.33 41.91 2cui h ASP 37 CO 0.41 1.32 -0.29 -0.94 -2.88 0.00 0.00 179.24 176.87 2cui s SER 38 N -6.93 0.99 -0.05 2.28 1.04 -1.14 -1.99 113.70 107.89 2cui s SER 38 Ca -0.12 -1.52 0.01 0.00 0.48 0.00 0.00 55.95 54.81 2cui s SER 38 Cb 0.06 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.81 2cui s SER 38 CO 0.86 -1.20 -0.05 -0.36 0.98 0.00 0.00 173.24 173.47 2cui s PHE 39 N -3.28 0.88 -0.34 5.02 0.08 0.50 -1.78 117.98 119.07 2cui s PHE 39 Ca 0.33 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 2cui s PHE 39 Cb 0.01 -0.76 0.07 0.00 -0.57 0.00 0.00 43.02 41.76 2cui s PHE 39 CO 0.21 -0.23 0.08 -1.17 -0.10 0.00 0.00 175.22 174.01 2cui s LEU 40 N 0.99 4.40 0.15 -0.37 2.96 -0.69 -2.17 118.68 123.95 2cui s LEU 40 Ca -0.10 -1.50 -0.10 0.00 -0.22 0.00 0.00 54.13 52.20 2cui s LEU 40 Cb -0.14 -1.77 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 2cui s LEU 40 CO -0.00 -0.36 0.48 -0.22 -1.32 0.00 0.00 176.35 174.93 2cui s LEU 41 N 1.23 4.28 -0.13 -0.68 2.96 -1.09 -1.59 118.68 123.66 2cui s LEU 41 Ca -0.00 0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 54.76 2cui s LEU 41 Cb -0.21 -3.30 0.05 0.00 0.50 0.00 0.00 46.19 43.23 2cui s LEU 41 CO -0.02 0.07 0.06 -0.13 -1.32 0.00 0.00 176.35 175.02 2cui s ARG 42 N -2.27 0.19 -0.22 1.98 0.52 -0.75 -2.82 118.95 115.58 2cui s ARG 42 Ca 0.39 -0.01 -0.03 0.00 -0.52 0.00 0.00 55.73 55.56 2cui s ARG 42 Cb -0.13 -1.47 -0.00 0.00 0.52 0.00 0.00 34.95 33.86 2cui s ARG 42 CO 0.20 -0.54 -0.06 -0.59 0.02 0.00 0.00 175.30 174.33 2cui s PHE 43 N 2.08 2.95 0.23 -0.53 -0.71 -1.26 -1.64 117.98 119.10 2cui s PHE 43 Ca 0.03 -1.05 0.06 0.00 -1.04 0.00 0.00 56.93 54.93 2cui s PHE 43 Cb -0.15 -2.08 -0.05 0.00 -1.21 0.00 0.00 43.02 39.53 2cui s PHE 43 CO -0.07 -0.59 -0.07 0.20 -1.34 0.00 0.00 175.22 173.35 2cui s GLY 44 N 1.45 1.58 -0.47 1.99 0.00 -1.07 -4.62 107.32 106.18 2cui s GLY 44 Ca 0.05 -1.76 -0.25 0.00 0.00 0.00 0.00 44.72 42.76 2cui s GLY 44 CO -0.04 -1.75 0.89 0.14 0.00 0.00 0.00 173.10 172.33 2cui s VAL 45 N -3.12 4.51 -0.28 1.40 1.01 -1.26 -3.07 120.40 119.59 2cui s VAL 45 Ca 0.26 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 2cui s VAL 45 Cb 0.03 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 2cui s VAL 45 CO 0.09 -0.83 1.65 -2.16 0.00 0.00 0.00 175.10 173.85 2cui s PRO 46 N 3.64 3.60 -0.11 2.72 0.04 -1.26 -5.00 135.00 138.63 2cui s PRO 46 Ca 0.35 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 2cui s PRO 46 Cb -0.11 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 2cui s PRO 46 CO 0.25 -1.53 -0.07 -1.54 0.04 0.00 0.00 177.00 174.15 2cui s SER 47 N 4.85 4.53 0.86 6.66 1.04 -1.26 -5.08 113.70 125.30 2cui s SER 47 Ca 0.73 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.91 2cui s SER 47 Cb -0.23 -1.49 0.11 0.00 0.10 0.00 0.00 66.02 64.51 2cui s SER 47 CO 0.31 0.24 1.09 -2.16 0.98 0.00 0.00 173.24 173.71 2cui s PRO 48 N -0.10 1.57 -0.10 4.02 0.04 -1.26 -4.94 135.00 134.22 2cui s PRO 48 Ca 0.01 0.93 0.11 0.00 0.04 0.00 0.00 61.00 62.09 2cui s PRO 48 Cb -0.13 -1.84 0.51 0.00 0.04 0.00 0.00 34.50 33.08 2cui s PRO 48 CO 0.03 -2.06 1.34 -1.13 0.04 0.00 0.00 177.00 175.22 2cui n SER 49 N -3.77 3.63 -0.05 6.66 3.41 -1.26 -3.93 113.62 118.31 2cui n SER 49 Ca 0.08 -2.41 -0.05 0.00 -0.26 0.00 0.00 58.87 56.22 2cui n SER 49 Cb 0.55 -0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 2cui n SER 49 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2cui n THR 50 N 0.59 0.70 -3.34 6.66 -1.04 -1.26 -5.02 114.28 111.57 2cui n THR 50 Ca 0.18 -0.41 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 2cui n THR 50 Cb 0.72 -0.76 -0.03 0.00 -1.82 0.00 0.00 70.33 68.44 2cui n THR 50 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2cui s LEU 51 N -4.87 4.06 0.37 -4.42 2.96 -1.25 -5.08 118.68 110.45 2cui s LEU 51 Ca -0.07 0.72 -0.21 0.00 -0.22 0.00 0.00 54.13 54.35 2cui s LEU 51 Cb 0.03 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.09 2cui s LEU 51 CO 0.40 -0.19 0.89 -1.83 -1.32 0.00 0.00 176.35 174.29 2cui s GLU 52 N -3.53 4.27 0.73 1.98 -1.05 -1.26 -4.88 118.70 114.95 2cui s GLU 52 Ca 0.44 1.06 -0.12 0.00 -0.15 0.00 0.00 54.97 56.19 2cui s GLU 52 Cb -0.11 -2.43 0.04 0.00 -0.44 0.00 0.00 34.13 31.19 2cui s GLU 52 CO 0.30 0.11 1.10 -1.25 0.95 0.00 0.00 175.26 176.47 2cui s PRO 53 N -2.78 2.46 0.09 -4.83 0.04 -1.26 -5.03 135.00 123.68 2cui s PRO 53 Ca 0.56 1.25 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 2cui s PRO 53 Cb -0.12 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2cui s PRO 53 CO 0.17 -1.50 0.49 -1.01 0.04 0.00 0.00 177.00 175.19 2cui s HIS 54 N -2.69 3.66 -1.58 0.56 3.76 -1.26 -4.96 115.29 112.78 2cui s HIS 54 Ca 0.63 1.03 0.15 0.00 -0.15 0.00 0.00 55.06 56.72 2cui s HIS 54 Cb -0.18 -2.33 0.80 0.00 1.11 0.00 0.00 32.58 31.97 2cui s HIS 54 CO 0.50 0.52 1.39 -0.35 -0.85 0.00 0.00 174.74 175.96 2cui n PRO 55 N 1.19 0.29 -4.23 8.40 -0.04 -1.26 -4.69 135.00 134.65 2cui n PRO 55 Ca -0.09 0.11 -0.35 0.00 -0.04 0.00 0.00 63.50 63.13 2cui n PRO 55 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 2cui n PRO 55 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2cui s ARG 56 N -2.42 3.07 0.83 0.54 1.70 -1.26 -5.11 118.95 116.30 2cui s ARG 56 Ca 0.17 -0.38 -0.11 0.00 -0.47 0.00 0.00 55.73 54.94 2cui s ARG 56 Cb 0.10 -2.87 0.09 0.00 -0.57 0.00 0.00 34.95 31.70 2cui s ARG 56 CO 0.21 0.70 1.09 -1.25 -1.08 0.00 0.00 175.30 174.98 2cui s PRO 57 N -1.09 1.81 -0.35 3.89 0.04 -1.26 -5.03 135.00 133.01 2cui s PRO 57 Ca 0.15 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 62.19 2cui s PRO 57 Cb -0.12 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.65 2cui s PRO 57 CO 0.05 -1.91 0.09 -0.51 0.04 0.00 0.00 177.00 174.76 2cui s LEU 58 N -6.05 4.53 -0.56 -3.56 1.43 -1.26 -5.05 118.68 108.16 2cui s LEU 58 Ca 0.62 -1.66 -0.26 0.00 -1.03 0.00 0.00 54.13 51.80 2cui s LEU 58 Cb -0.17 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.22 2cui s LEU 58 CO 0.56 -0.39 2.31 -0.22 0.23 0.00 0.00 176.35 178.85 2cui s LEU 59 N 1.18 3.31 0.12 1.79 2.96 -1.26 -4.94 118.68 121.84 2cui s LEU 59 Ca 0.02 0.77 0.05 0.00 -0.22 0.00 0.00 54.13 54.75 2cui s LEU 59 Cb -0.21 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2cui s LEU 59 CO -0.03 -2.94 0.03 -1.58 -1.32 0.00 0.00 176.35 170.51 2cui s GLN 60 N 8.13 2.59 0.35 1.98 0.74 -1.26 -5.11 119.66 127.07 2cui s GLN 60 Ca 0.91 -0.90 -0.07 0.00 0.05 0.00 0.00 55.36 55.34 2cui s GLN 60 Cb -0.15 -2.52 0.02 0.00 1.10 0.00 0.00 33.01 31.45 2cui s GLN 60 CO 0.22 0.51 0.57 -0.98 -0.55 0.00 0.00 175.29 175.06 2cui s ARG 61 N -2.61 1.98 0.06 1.67 1.70 -1.26 -5.14 118.95 115.35 2cui s ARG 61 Ca 0.27 -1.61 0.02 0.00 -0.47 0.00 0.00 55.73 53.94 2cui s ARG 61 Cb -0.11 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 2cui s ARG 61 CO 0.19 -0.86 -0.08 -1.21 -1.08 0.00 0.00 175.30 172.27 2cui s GLU 62 N -2.92 0.63 0.02 3.89 8.01 -1.26 -4.12 118.70 122.94 2cui s GLU 62 Ca 0.25 -0.92 -0.00 0.00 0.01 0.00 0.00 54.97 54.31 2cui s GLU 62 Cb -0.02 -0.30 -0.04 0.00 -4.31 0.00 0.00 34.13 29.46 2cui s GLU 62 CO 0.17 0.04 0.12 -1.17 0.01 0.00 0.00 175.26 174.43 2cui s LEU 63 N -1.98 4.05 -0.25 1.80 2.96 -1.13 -4.93 118.68 119.20 2cui s LEU 63 Ca -0.04 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 2cui s LEU 63 Cb -0.06 -2.47 0.05 0.00 0.50 0.00 0.00 46.19 44.21 2cui s LEU 63 CO -0.01 0.24 -0.09 -0.32 -1.32 0.00 0.00 176.35 174.85 2cui s MET 64 N -1.98 2.50 -0.02 1.98 -2.45 -1.26 -2.69 119.30 115.39 2cui s MET 64 Ca 0.26 -1.19 0.02 0.00 -1.25 0.00 0.00 55.69 53.53 2cui s MET 64 Cb -0.12 -2.93 0.00 0.00 1.25 0.00 0.00 34.83 33.04 2cui s MET 64 CO 0.18 -0.50 -0.06 0.08 1.05 0.00 0.00 175.02 175.77 2cui s VAL 65 N 1.20 0.53 0.59 10.11 1.01 -0.92 -4.96 120.40 127.95 2cui s VAL 65 Ca -0.04 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 2cui s VAL 65 Cb -0.18 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2cui s VAL 65 CO -0.05 0.17 1.12 -2.16 0.00 0.00 0.00 175.10 174.18 2cui s PRO 66 N 0.18 3.15 0.30 2.72 0.04 -1.26 0.19 135.00 140.31 2cui s PRO 66 Ca -0.02 1.53 0.05 0.00 0.04 0.00 0.00 61.00 62.60 2cui s PRO 66 Cb -0.06 -1.98 0.76 0.00 0.04 0.00 0.00 34.50 33.25 2cui s PRO 66 CO -0.00 -1.00 1.69 0.78 0.04 0.00 0.00 177.00 178.51 2cui h GLY 67 N 0.77 1.59 1.40 0.56 0.00 -1.52 0.59 103.07 106.46 2cui h GLY 67 Ca -0.49 -0.18 0.07 0.00 0.00 0.00 0.00 47.33 46.73 2cui h GLY 67 CO 0.56 -0.28 0.23 0.00 0.00 0.00 0.00 176.54 177.05 2cui h THR 68 N 0.40 0.54 -3.37 4.70 1.03 -1.86 -3.38 112.91 110.96 2cui h THR 68 Ca 0.58 0.00 -0.65 0.00 -0.01 0.00 0.00 66.41 66.33 2cui h THR 68 Cb 1.12 0.82 -0.25 0.00 -1.07 0.00 0.00 68.15 68.76 2cui h THR 68 CO -0.54 0.00 -0.70 -0.13 -0.01 0.00 0.00 175.52 174.14 2cui s ARG 69 N -4.72 3.49 -0.69 0.00 0.52 0.20 -5.04 118.95 112.73 2cui s ARG 69 Ca -0.05 -0.59 0.04 0.00 -0.52 0.00 0.00 55.73 54.62 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 0.58 0.02 0.90 0.72 0.02 0.00 0.00 175.30 177.54 2cui n HIS 70 N 4.17 3.56 -3.99 -0.53 8.25 -1.26 -4.33 115.22 121.09 2cui n HIS 70 Ca -0.18 -3.90 -0.09 0.00 -0.26 0.00 0.00 57.72 53.29 2cui n HIS 70 Cb 0.52 -0.64 -0.10 0.00 1.12 0.00 0.00 29.99 30.88 2cui n HIS 70 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2cui s SER 71 N -2.58 0.28 -0.30 0.41 0.15 -1.26 -3.28 113.70 107.13 2cui s SER 71 Ca 0.41 -0.64 -0.11 0.00 0.70 0.00 0.00 55.95 56.31 2cui s SER 71 Cb 0.17 0.17 0.12 0.00 -1.71 0.00 0.00 66.02 64.77 2cui s SER 71 CO -0.03 -0.45 0.66 0.00 1.20 0.00 0.00 173.24 174.62 2cui s ALA 72 N -2.50 -2.01 -0.17 5.45 0.00 -1.23 -4.87 121.76 116.42 2cui s ALA 72 Ca -0.06 2.36 0.01 0.00 0.00 0.00 0.00 51.96 54.27 2cui s ALA 72 Cb -0.02 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.42 2cui s ALA 72 CO -0.05 -0.82 -0.17 0.08 0.00 0.00 0.00 175.76 174.81 2cui s VAL 73 N 2.64 1.88 -0.18 0.00 1.01 -1.26 -0.68 120.40 123.81 2cui s VAL 73 Ca -0.07 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 2cui s VAL 73 Cb -0.11 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2cui s VAL 73 CO -0.19 0.48 0.06 -0.76 0.00 0.00 0.00 175.10 174.68 2cui s LEU 74 N 1.35 3.77 0.48 3.92 2.01 -1.21 -4.98 118.68 124.03 2cui s LEU 74 Ca 0.04 0.06 0.06 0.00 0.01 0.00 0.00 54.13 54.30 2cui s LEU 74 Cb -0.13 -1.95 -0.00 0.00 0.01 0.00 0.00 46.19 44.11 2cui s LEU 74 CO -0.12 0.17 0.28 -0.13 1.01 0.00 0.00 176.35 177.56 2cui s ARG 75 N 0.41 2.27 -1.08 1.70 0.52 -1.26 -3.25 118.95 118.26 2cui s ARG 75 Ca 0.03 -1.96 -0.03 0.00 -0.52 0.00 0.00 55.73 53.25 2cui s ARG 75 Cb -0.13 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2cui s ARG 75 CO 0.00 -0.38 0.92 -0.25 0.02 0.00 0.00 175.30 175.61 2cui n ASP 76 N -1.51 -3.64 -4.98 0.23 9.92 -1.19 -4.98 116.55 110.40 2cui n ASP 76 Ca -0.03 -0.50 -0.18 0.00 -0.53 0.00 0.00 54.79 53.55 2cui n ASP 76 Cb 0.64 -4.41 0.01 0.00 -0.64 0.00 0.00 41.12 36.73 2cui n ASP 76 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2cui s LEU 77 N -6.00 3.51 0.78 0.64 1.43 0.10 -5.06 118.68 114.08 2cui s LEU 77 Ca 0.22 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2cui s LEU 77 Cb -0.10 -2.36 0.10 0.00 0.03 0.00 0.00 46.19 43.86 2cui s LEU 77 CO 0.62 -0.82 1.10 -0.13 0.23 0.00 0.00 176.35 177.36 2cui s ARG 78 N -4.34 1.77 -0.07 1.70 0.52 -1.26 -4.61 118.95 112.65 2cui s ARG 78 Ca 0.54 -0.34 -0.17 0.00 -0.52 0.00 0.00 55.73 55.24 2cui s ARG 78 Cb -0.08 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.26 2cui s ARG 78 CO 0.32 -1.57 0.47 -1.54 0.02 0.00 0.00 175.30 173.00 2cui s SER 79 N -4.63 6.75 -1.33 0.23 1.04 -1.26 -4.38 113.70 110.12 2cui s SER 79 Ca 0.64 0.89 -0.19 0.00 0.48 0.00 0.00 55.95 57.77 2cui s SER 79 Cb -0.09 -2.28 0.02 0.00 0.10 0.00 0.00 66.02 63.77 2cui s SER 79 CO 0.47 0.10 0.46 0.61 0.98 0.00 0.00 173.24 175.87 2cui n GLY 80 N 2.78 -0.57 3.19 7.32 0.00 -0.20 -4.86 105.19 112.84 2cui n GLY 80 Ca -0.09 0.28 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.82 1.24 -0.28 2.61 2.01 -1.26 -4.89 115.64 111.25 2cui s THR 81 Ca 0.29 -1.25 -0.20 0.00 0.31 0.00 0.00 61.69 60.84 2cui s THR 81 Cb -0.15 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 2cui s THR 81 CO 0.96 -0.11 0.62 -0.22 -0.69 0.00 0.00 174.62 175.18 2cui s LEU 82 N -1.57 4.10 0.05 4.42 1.98 -1.26 -2.11 118.68 124.30 2cui s LEU 82 Ca 0.01 0.55 0.03 0.00 -2.89 0.00 0.00 54.13 51.83 2cui s LEU 82 Cb -0.09 -2.82 -0.04 0.00 0.66 0.00 0.00 46.19 43.90 2cui s LEU 82 CO 0.02 -0.42 0.04 -0.31 -1.89 0.00 0.00 176.35 173.80 2cui s TYR 83 N 2.54 3.13 -0.40 5.38 1.51 -0.75 -4.61 117.35 124.16 2cui s TYR 83 Ca 0.25 0.07 -0.10 0.00 -1.01 0.00 0.00 57.07 56.28 2cui s TYR 83 Cb -0.15 -1.63 0.05 0.00 -0.11 0.00 0.00 41.96 40.12 2cui s TYR 83 CO 0.10 0.50 0.24 0.45 -1.11 0.00 0.00 175.55 175.73 2cui s SER 84 N -2.10 5.70 0.05 2.29 0.15 -1.17 -3.34 113.70 115.27 2cui s SER 84 Ca 0.25 -1.26 -0.01 0.00 0.70 0.00 0.00 55.95 55.64 2cui s SER 84 Cb -0.12 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 2cui s SER 84 CO 0.17 -0.47 0.21 -0.76 1.20 0.00 0.00 173.24 173.60 2cui s LEU 85 N 1.49 4.36 -0.24 3.45 1.43 -0.98 -2.61 118.68 125.59 2cui s LEU 85 Ca 0.02 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 2cui s LEU 85 Cb -0.21 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 43.21 2cui s LEU 85 CO 0.04 0.18 0.24 -0.89 0.23 0.00 0.00 176.35 176.16 2cui s THR 86 N -1.48 -0.34 0.32 5.49 2.01 -0.65 -2.16 115.64 118.83 2cui s THR 86 Ca 0.34 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 61.91 2cui s THR 86 Cb -0.13 -0.79 -0.09 0.00 0.01 0.00 0.00 72.50 71.50 2cui s THR 86 CO 0.26 -0.31 0.75 -0.22 -0.69 0.00 0.00 174.62 174.41 2cui s LEU 87 N 2.33 4.08 -0.09 4.42 2.96 -0.48 -1.81 118.68 130.08 2cui s LEU 87 Ca 0.08 1.32 0.00 0.00 -0.22 0.00 0.00 54.13 55.32 2cui s LEU 87 Cb -0.15 -4.08 0.02 0.00 0.50 0.00 0.00 46.19 42.48 2cui s LEU 87 CO -0.20 -0.20 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.25 2cui s TYR 88 N -1.96 1.31 -0.88 5.38 2.02 -0.62 -2.09 117.35 120.51 2cui s TYR 88 Ca 0.54 -0.58 -0.20 0.00 -0.37 0.00 0.00 57.07 56.46 2cui s TYR 88 Cb -0.11 -1.09 0.11 0.00 -0.40 0.00 0.00 41.96 40.47 2cui s TYR 88 CO 0.17 -0.41 1.12 0.20 -1.57 0.00 0.00 175.55 175.07 2cui s GLY 89 N 1.44 1.72 -0.36 0.71 0.00 0.73 -1.70 107.32 109.87 2cui s GLY 89 Ca -0.01 -2.49 -0.29 0.00 0.00 0.00 0.00 44.72 41.93 2cui s GLY 89 CO -0.05 2.10 1.64 1.08 0.00 0.00 0.00 173.10 177.87 2cui s LEU 90 N 3.26 3.55 0.00 0.66 2.01 -0.73 -0.39 118.68 127.04 2cui s LEU 90 Ca 0.32 1.13 0.15 0.00 0.01 0.00 0.00 54.13 55.74 2cui s LEU 90 Cb -0.07 -3.53 0.43 0.00 0.01 0.00 0.00 46.19 43.03 2cui s LEU 90 CO -0.05 -1.58 1.35 -1.14 1.01 0.00 0.00 176.35 175.94 2cui n ARG 91 N 8.27 2.06 0.00 1.70 0.63 -1.23 0.47 116.66 128.56 2cui n ARG 91 Ca 0.20 -1.64 0.00 0.00 -0.92 0.00 0.00 57.85 55.50 2cui n ARG 91 Cb 0.47 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.02 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 1.23 0.13 0.09 5.14 0.00 -1.26 -4.69 105.19 105.84 2cui n GLY 92 Ca 0.16 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.11 -5.71 1.61 0.13 -2.01 -3.46 132.00 122.44 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 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 31.00 2cui h PRO 93 CO 0.00 0.34 -0.75 -3.38 -0.23 0.00 0.00 178.00 173.98 2cui s HIS 94 N -4.18 1.77 0.58 1.56 -3.43 -1.26 -5.12 115.29 105.21 2cui s HIS 94 Ca -0.15 -0.52 -0.21 0.00 -0.80 0.00 0.00 55.06 53.38 2cui s HIS 94 Cb 0.02 -0.84 -0.04 0.00 -1.43 0.00 0.00 32.58 30.29 2cui s HIS 94 CO 0.61 0.37 1.32 1.63 -2.00 0.00 0.00 174.74 176.67 2cui n LYS 95 N -0.17 1.49 -0.07 -0.38 5.02 -1.26 -3.51 118.16 119.27 2cui n LYS 95 Ca -0.09 0.56 -0.16 0.00 -2.02 0.00 0.00 58.31 56.60 2cui n LYS 95 Cb 0.59 -2.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.02 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 -1.31 1.93 -2.55 7.82 0.00 0.47 -4.83 120.51 122.05 2cui n ALA 96 Ca 0.12 -0.62 -0.26 0.00 0.00 0.00 0.00 53.44 52.68 2cui n ALA 96 Cb 0.46 0.27 -0.10 0.00 0.00 0.00 0.00 19.45 20.07 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 -6.38 3.78 -0.27 0.00 2.15 -1.20 -4.96 116.67 109.79 2cui s ASP 97 Ca -0.22 -1.19 -0.12 0.00 0.43 0.00 0.00 52.55 51.45 2cui s ASP 97 Cb 0.08 -0.37 0.10 0.00 -0.30 0.00 0.00 42.92 42.43 2cui s ASP 97 CO 0.28 -0.22 0.63 -0.94 -0.17 0.00 0.00 175.17 174.75 2cui s SER 98 N -3.63 -0.94 0.11 -0.34 1.04 -1.26 -0.19 113.70 108.49 2cui s SER 98 Ca 0.33 1.46 0.09 0.00 0.48 0.00 0.00 55.95 58.30 2cui s SER 98 Cb 0.03 1.70 -0.04 0.00 0.10 0.00 0.00 66.02 67.81 2cui s SER 98 CO 0.17 -0.23 -0.18 -0.51 0.98 0.00 0.00 173.24 173.47 2cui s ILE 99 N 2.19 2.83 -0.29 -1.02 2.07 -0.89 -4.96 121.20 121.13 2cui s ILE 99 Ca -0.08 -1.48 -0.04 0.00 -1.41 0.00 0.00 60.65 57.64 2cui s ILE 99 Cb -0.09 -2.29 0.03 0.00 0.13 0.00 0.00 42.46 40.25 2cui s ILE 99 CO -0.19 0.12 0.02 -1.10 -1.91 0.00 0.00 174.94 171.89 2cui s GLN 100 N -2.08 2.80 -0.18 3.50 -0.21 -1.26 -1.38 119.66 120.85 2cui s GLN 100 Ca 0.18 -1.03 -0.01 0.00 0.02 0.00 0.00 55.36 54.51 2cui s GLN 100 Cb -0.11 -3.23 -0.00 0.00 1.00 0.00 0.00 33.01 30.67 2cui s GLN 100 CO 0.10 -0.50 -0.12 0.20 -2.12 0.00 0.00 175.29 172.85 2cui s GLY 101 N 1.38 1.52 -0.11 3.09 0.00 -0.92 -4.93 107.32 107.35 2cui s GLY 101 Ca -0.01 -1.08 -0.05 0.00 0.00 0.00 0.00 44.72 43.58 2cui s GLY 101 CO -0.00 0.15 0.10 -0.51 0.00 0.00 0.00 173.10 172.84 2cui s THR 102 N 1.00 5.14 -0.00 0.90 -4.23 -1.26 -2.32 115.64 114.86 2cui s THR 102 Ca -0.01 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.45 2cui s THR 102 Cb -0.15 -3.22 0.01 0.00 1.34 0.00 0.00 72.50 70.49 2cui s THR 102 CO -0.02 0.61 0.24 0.00 -0.54 0.00 0.00 174.62 174.92 2cui s ALA 103 N -0.98 -0.60 -0.23 3.99 0.00 -1.21 -4.81 121.76 117.93 2cui s ALA 103 Ca 0.14 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.25 2cui s ALA 103 Cb -0.12 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.15 2cui s ALA 103 CO 0.03 -0.25 -0.14 0.50 0.00 0.00 0.00 175.76 175.90 2cui s ARG 104 N -1.42 2.49 1.22 0.00 3.52 -1.26 -1.80 118.95 121.69 2cui s ARG 104 Ca -0.14 -1.12 -0.15 0.00 -0.13 0.00 0.00 55.73 54.20 2cui s ARG 104 Cb -0.06 -2.74 0.29 0.00 -1.56 0.00 0.00 34.95 30.89 2cui s ARG 104 CO 0.03 -0.43 0.87 0.25 -0.81 0.00 0.00 175.30 175.21 2cui n THR 105 N 4.52 0.00 -3.13 4.11 -2.24 -0.90 -4.86 114.28 111.79 2cui n THR 105 Ca -0.17 -0.43 -0.28 0.00 -2.27 0.00 0.00 64.05 60.91 2cui n THR 105 Cb 0.45 -0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 67.71 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 -6.63 3.93 0.07 3.22 1.43 -1.23 -3.68 118.68 115.78 2cui s LEU 106 Ca 0.67 0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 54.49 2cui s LEU 106 Cb -0.23 -3.64 -0.29 0.00 0.03 0.00 0.00 46.19 42.06 2cui s LEU 106 CO 0.65 -0.32 1.12 -1.28 0.23 0.00 0.00 176.35 176.74 2cui h SER 107 N 1.14 0.47 0.00 2.29 0.87 -1.89 -0.50 113.55 115.93 2cui h SER 107 Ca -0.48 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2cui h SER 107 Cb 1.20 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2cui h SER 107 CO 0.64 1.40 0.00 0.61 -0.53 0.00 0.00 176.83 178.95 2cui n GLY 108 N 1.56 0.69 0.00 5.77 0.00 -1.26 -4.71 105.19 107.23 2cui n GLY 108 Ca -0.10 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 0.49 -1.69 1.61 -0.04 -1.26 -4.85 135.00 129.26 2cui n PRO 109 Ca 0.00 0.00 -0.59 0.00 -0.04 0.00 0.00 63.50 62.87 2cui n PRO 109 Cb 0.00 -1.40 -0.08 0.00 -0.04 0.00 0.00 33.50 31.99 2cui n PRO 109 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cui n SER 110 N -0.90 1.86 -0.05 3.54 7.64 -1.26 -4.84 113.62 119.60 2cui n SER 110 Ca 0.09 1.11 -0.10 0.00 1.01 0.00 0.00 58.87 60.98 2cui n SER 110 Cb 0.04 -1.08 -0.04 0.00 -1.01 0.00 0.00 64.21 62.13 2cui n SER 110 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cui n SER 111 N 4.39 1.55 -0.11 6.43 7.64 -1.26 -5.09 113.62 127.17 2cui n SER 111 Ca 0.26 0.07 0.01 0.00 1.01 0.00 0.00 58.87 60.22 2cui n SER 111 Cb 0.09 -0.27 0.01 0.00 -1.01 0.00 0.00 64.21 63.04 2cui n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64