#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 1.80 -0.25 1.61 0.15 -1.26 -5.12 113.70 110.63 2cui s SER 2 Ca 0.00 -0.29 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 2cui s SER 2 Cb 0.00 -0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 63.70 2cui s SER 2 CO 0.00 0.10 0.42 -0.55 1.20 0.00 0.00 173.24 174.41 2cui s SER 3 N 0.23 6.36 -0.28 5.45 0.15 -1.26 -5.03 113.70 119.32 2cui s SER 3 Ca -0.06 0.42 -0.01 0.00 0.70 0.00 0.00 55.95 57.00 2cui s SER 3 Cb -0.12 -2.24 0.13 0.00 -1.71 0.00 0.00 66.02 62.09 2cui s SER 3 CO 0.02 -0.19 0.30 -0.83 1.20 0.00 0.00 173.24 173.74 2cui s GLY 4 N 1.46 -0.16 -0.25 9.45 0.00 -1.26 -5.13 107.32 111.43 2cui s GLY 4 Ca 0.18 -0.16 -0.10 0.00 0.00 0.00 0.00 44.72 44.64 2cui s GLY 4 CO 0.09 2.61 0.14 -1.35 0.00 0.00 0.00 173.10 174.60 2cui s SER 5 N 2.38 5.81 -0.12 1.64 1.04 -1.26 -5.06 113.70 118.12 2cui s SER 5 Ca 0.09 -0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 2cui s SER 5 Cb -0.14 -2.06 0.06 0.00 0.10 0.00 0.00 66.02 63.99 2cui s SER 5 CO -0.30 0.01 0.25 -0.44 0.98 0.00 0.00 173.24 173.74 2cui s SER 6 N 1.36 0.43 -0.07 7.02 0.01 -1.26 -5.14 113.70 116.05 2cui s SER 6 Ca 0.07 0.54 0.01 0.00 1.31 0.00 0.00 55.95 57.87 2cui s SER 6 Cb -0.15 0.64 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2cui s SER 6 CO 0.06 -0.24 -0.07 -0.83 0.41 0.00 0.00 173.24 172.57 2cui s GLY 7 N 2.40 0.67 0.59 3.44 0.00 -1.26 -5.12 107.32 108.04 2cui s GLY 7 Ca 0.02 -0.32 -0.15 0.00 0.00 0.00 0.00 44.72 44.27 2cui s GLY 7 CO -0.08 0.54 -0.32 1.44 0.00 0.00 0.00 173.10 174.68 2cui n SER 8 N 4.38 -3.90 0.49 1.64 7.64 -1.26 -4.87 113.62 117.74 2cui n SER 8 Ca -0.18 0.41 -0.20 0.00 1.01 0.00 0.00 58.87 59.92 2cui n SER 8 Cb 0.51 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.91 2cui n SER 8 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2cui h ARG 9 N -0.32 -1.20 -6.42 1.43 9.65 -2.00 -3.42 114.38 112.11 2cui h ARG 9 Ca -0.36 0.08 -0.54 0.00 -1.10 0.00 0.00 59.98 58.06 2cui h ARG 9 Cb 1.20 0.27 0.01 0.00 -1.39 0.00 0.00 29.97 30.06 2cui h ARG 9 CO 0.30 -0.80 0.82 -1.25 2.80 0.00 0.00 179.97 181.85 2cui s PRO 10 N -5.77 4.28 0.23 0.20 0.04 -1.26 -5.02 135.00 127.70 2cui s PRO 10 Ca -0.19 2.03 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2cui s PRO 10 Cb 0.02 -3.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 2cui s PRO 10 CO 0.57 -0.56 -0.06 1.03 0.04 0.00 0.00 177.00 178.02 2cui s ARG 11 N 2.13 1.38 0.77 4.56 1.81 -1.26 -4.89 118.95 123.44 2cui s ARG 11 Ca 0.65 -1.67 -0.11 0.00 -1.72 0.00 0.00 55.73 52.87 2cui s ARG 11 Cb -0.33 -0.91 0.05 0.00 -0.45 0.00 0.00 34.95 33.30 2cui s ARG 11 CO 0.28 0.03 1.09 -0.51 -0.68 0.00 0.00 175.30 175.51 2cui s LEU 12 N -3.34 2.74 0.00 2.53 1.43 -1.26 -4.65 118.68 116.12 2cui s LEU 12 Ca 0.26 1.34 0.08 0.00 -1.03 0.00 0.00 54.13 54.78 2cui s LEU 12 Cb 0.03 -4.03 0.08 0.00 0.03 0.00 0.00 46.19 42.31 2cui s LEU 12 CO 0.09 -1.78 0.67 -0.24 0.23 0.00 0.00 176.35 175.31 2cui n SER 13 N -3.32 2.40 -4.56 2.29 2.88 -0.81 -5.00 113.62 107.51 2cui n SER 13 Ca 0.07 -2.71 -0.45 0.00 -1.33 0.00 0.00 58.87 54.45 2cui n SER 13 Cb 0.56 -0.28 -0.04 0.00 -0.75 0.00 0.00 64.21 63.69 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 -2.11 1.77 -2.64 -1.46 10.64 -1.26 -4.68 117.38 117.64 2cui n GLN 14 Ca 0.10 0.49 -0.42 0.00 -1.83 0.00 0.00 57.00 55.33 2cui n GLN 14 Cb 0.62 -3.05 -0.03 0.00 -0.86 0.00 0.00 30.24 26.92 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 8.00 3.58 0.25 2.61 2.96 -1.26 -4.65 118.68 130.17 2cui s LEU 15 Ca 1.03 -0.16 0.07 0.00 -0.22 0.00 0.00 54.13 54.85 2cui s LEU 15 Cb -0.46 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 2cui s LEU 15 CO 0.39 -1.50 0.21 -0.44 -1.32 0.00 0.00 176.35 173.69 2cui s SER 16 N 3.13 5.60 -0.16 3.68 0.01 -1.05 -4.66 113.70 120.25 2cui s SER 16 Ca 0.38 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.43 2cui s SER 16 Cb -0.09 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.71 2cui s SER 16 CO 0.21 -0.04 -0.20 -0.69 0.41 0.00 0.00 173.24 172.93 2cui s VAL 17 N -2.11 2.02 0.39 3.43 1.01 -1.26 -1.65 120.40 122.23 2cui s VAL 17 Ca 0.33 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.45 2cui s VAL 17 Cb -0.08 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 2cui s VAL 17 CO 0.25 0.54 -0.01 0.42 0.00 0.00 0.00 175.10 176.30 2cui s THR 18 N 1.14 2.04 -1.58 3.92 -4.23 0.32 -4.73 115.64 112.53 2cui s THR 18 Ca 0.01 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.43 2cui s THR 18 Cb -0.14 -2.91 0.01 0.00 1.34 0.00 0.00 72.50 70.80 2cui s THR 18 CO -0.09 -0.05 0.45 0.47 -0.54 0.00 0.00 174.62 174.86 2cui n ASP 19 N -0.92 -5.87 -4.48 3.99 8.00 -1.26 -1.25 116.55 114.76 2cui n ASP 19 Ca -0.05 -0.22 -0.43 0.00 0.71 0.00 0.00 54.79 54.80 2cui n ASP 19 Cb 0.66 -4.79 -0.10 0.00 -0.02 0.00 0.00 41.12 36.88 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 -4.34 0.01 -3.00 2.53 0.31 -1.26 -4.37 118.33 108.22 2cui n VAL 20 Ca -0.14 -0.27 -0.30 0.00 -0.01 0.00 0.00 64.34 63.62 2cui n VAL 20 Cb 0.63 -1.37 -0.03 0.00 -0.91 0.00 0.00 33.84 32.16 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 9.31 4.85 0.26 2.52 2.01 0.56 -4.58 115.64 130.56 2cui s THR 21 Ca 1.19 0.48 -0.09 0.00 0.31 0.00 0.00 61.69 63.58 2cui s THR 21 Cb -0.90 -3.73 0.37 0.00 0.01 0.00 0.00 72.50 68.25 2cui s THR 21 CO 0.44 -0.45 1.59 0.71 -0.69 0.00 0.00 174.62 176.22 2cui h THR 22 N 1.20 0.15 0.00 -0.82 1.35 -1.91 -2.10 112.91 110.77 2cui h THR 22 Ca -0.47 -0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 2cui h THR 22 Cb 1.19 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 2cui h THR 22 CO 0.64 0.00 -0.24 -1.20 -0.25 0.00 0.00 175.52 174.47 2cui n SER 23 N -5.54 1.68 -2.75 5.36 7.64 -1.26 -3.44 113.62 115.31 2cui n SER 23 Ca 0.14 -2.92 -0.11 0.00 1.01 0.00 0.00 58.87 56.99 2cui n SER 23 Cb 0.46 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.98 -1.77 -3.74 6.43 7.64 -0.80 -0.86 113.62 119.55 2cui n SER 24 Ca 0.13 -2.61 0.02 0.00 1.01 0.00 0.00 58.87 57.42 2cui n SER 24 Cb 0.69 3.06 0.01 0.00 -1.01 0.00 0.00 64.21 66.96 2cui n SER 24 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cui n LEU 25 N 0.00 0.00 -4.05 -3.43 -0.00 -1.21 0.21 117.00 108.52 2cui n LEU 25 Ca -0.04 -0.59 -0.15 0.00 -0.00 0.00 0.00 56.01 55.22 2cui n LEU 25 Cb 0.55 2.02 -0.13 0.00 -0.00 0.00 0.00 43.42 45.86 2cui n LEU 25 CO 0.26 -0.20 -0.42 -0.60 -0.00 0.00 0.00 177.39 176.44 2cui s ARG 26 N -2.02 0.59 0.31 1.47 3.52 -0.38 -3.25 118.95 119.19 2cui s ARG 26 Ca 0.29 -0.60 0.09 0.00 -0.13 0.00 0.00 55.73 55.38 2cui s ARG 26 Cb -0.01 -0.48 -0.05 0.00 -1.56 0.00 0.00 34.95 32.86 2cui s ARG 26 CO 0.00 0.11 0.03 -0.51 -0.81 0.00 0.00 175.30 174.12 2cui s LEU 27 N -1.08 3.12 -0.23 -0.88 1.43 0.26 -0.52 118.68 120.79 2cui s LEU 27 Ca -0.04 -0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 52.18 2cui s LEU 27 Cb -0.07 -1.59 0.10 0.00 0.03 0.00 0.00 46.19 44.66 2cui s LEU 27 CO 0.00 -0.14 0.51 0.20 0.23 0.00 0.00 176.35 177.15 2cui s ASN 28 N -3.72 -0.62 0.01 2.29 0.01 -0.66 -3.69 114.94 108.56 2cui s ASN 28 Ca 0.34 1.21 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 2cui s ASN 28 Cb -0.04 1.59 -0.01 0.00 0.41 0.00 0.00 41.25 43.21 2cui s ASN 28 CO 0.20 -0.22 -0.02 -1.66 -1.51 0.00 0.00 177.10 173.89 2cui s TRP 29 N 2.49 0.18 -0.14 2.20 -2.14 -1.21 -2.52 118.94 117.81 2cui s TRP 29 Ca -0.05 -0.20 -0.07 0.00 2.66 0.00 0.00 56.10 58.45 2cui s TRP 29 Cb -0.11 -0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.10 2cui s TRP 29 CO -0.15 -0.06 0.11 -2.00 -2.66 0.00 0.00 176.95 172.18 2cui s GLU 30 N -0.54 3.61 -0.01 3.25 2.12 -1.26 -4.64 118.70 121.23 2cui s GLU 30 Ca -0.05 -0.22 -0.03 0.00 0.36 0.00 0.00 54.97 55.03 2cui s GLU 30 Cb -0.04 -3.18 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 2cui s GLU 30 CO -0.00 0.60 0.07 0.00 -0.54 0.00 0.00 175.26 175.38 2cui s ALA 31 N -0.52 -0.15 0.95 6.30 0.00 -1.26 -1.92 121.76 125.16 2cui s ALA 31 Ca 0.12 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 2cui s ALA 31 Cb -0.12 -0.01 0.16 0.00 0.00 0.00 0.00 23.12 23.16 2cui s ALA 31 CO 0.02 -0.11 1.09 -1.25 0.00 0.00 0.00 175.76 175.52 2cui s PRO 32 N -0.65 0.79 0.38 0.00 0.04 -1.26 -5.00 135.00 129.30 2cui s PRO 32 Ca -0.07 0.65 -0.26 0.00 0.04 0.00 0.00 61.00 61.36 2cui s PRO 32 Cb -0.04 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 2cui s PRO 32 CO 0.00 -2.52 1.20 -1.25 0.04 0.00 0.00 177.00 174.47 2cui s PRO 33 N -4.95 4.13 -1.54 0.56 0.04 -1.26 -3.34 135.00 128.64 2cui s PRO 33 Ca 0.64 1.92 -0.14 0.00 0.04 0.00 0.00 61.00 63.47 2cui s PRO 33 Cb -0.18 -2.78 0.09 0.00 0.04 0.00 0.00 34.50 31.67 2cui s PRO 33 CO 0.57 -0.28 0.98 0.41 0.04 0.00 0.00 177.00 178.72 2cui n GLY 34 N 0.71 -0.50 0.10 0.56 0.00 -1.26 -4.90 105.19 99.90 2cui n GLY 34 Ca 0.03 0.19 -0.17 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 n ALA 35 N -4.66 0.71 -2.28 4.61 0.00 -1.21 -5.02 120.51 112.65 2cui n ALA 35 Ca 0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 2cui n ALA 35 Cb 0.52 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 2cui n ALA 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2cui s PHE 36 N -2.34 0.64 0.04 0.00 0.08 -1.26 -4.74 117.98 110.39 2cui s PHE 36 Ca -0.25 -0.91 -0.17 0.00 0.12 0.00 0.00 56.93 55.72 2cui s PHE 36 Cb 0.05 -0.41 -0.25 0.00 -0.57 0.00 0.00 43.02 41.84 2cui s PHE 36 CO 0.47 -0.25 1.12 -0.44 -0.10 0.00 0.00 175.22 176.02 2cui h ASP 37 N 3.37 0.73 -5.34 1.36 5.19 0.63 -3.38 116.42 118.97 2cui h ASP 37 Ca -0.34 -0.78 -0.20 0.00 -0.62 0.00 0.00 57.03 55.09 2cui h ASP 37 Cb 1.16 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 40.40 2cui h ASP 37 CO 0.61 1.42 -0.01 -0.94 -3.12 0.00 0.00 179.24 177.19 2cui s SER 38 N -7.08 0.67 -0.08 6.45 1.04 -0.90 -3.01 113.70 110.79 2cui s SER 38 Ca -0.11 -1.41 0.01 0.00 0.48 0.00 0.00 55.95 54.91 2cui s SER 38 Cb 0.05 0.75 0.02 0.00 0.10 0.00 0.00 66.02 66.94 2cui s SER 38 CO 0.88 -1.48 -0.08 -0.36 0.98 0.00 0.00 173.24 173.19 2cui s PHE 39 N -2.65 1.23 -0.37 5.02 0.08 0.33 -1.61 117.98 120.02 2cui s PHE 39 Ca 0.25 -0.50 -0.02 0.00 0.12 0.00 0.00 56.93 56.78 2cui s PHE 39 Cb -0.02 -1.02 0.09 0.00 -0.57 0.00 0.00 43.02 41.50 2cui s PHE 39 CO 0.18 -0.35 0.13 -1.17 -0.10 0.00 0.00 175.22 173.91 2cui s LEU 40 N 1.24 4.79 -0.08 -0.37 2.96 -0.92 -2.13 118.68 124.17 2cui s LEU 40 Ca -0.05 -1.81 -0.21 0.00 -0.22 0.00 0.00 54.13 51.84 2cui s LEU 40 Cb -0.14 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2cui s LEU 40 CO -0.02 -0.44 0.62 -0.22 -1.32 0.00 0.00 176.35 174.96 2cui s LEU 41 N 1.15 4.31 -0.24 -0.68 2.96 -1.15 -1.96 118.68 123.07 2cui s LEU 41 Ca 0.04 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 55.02 2cui s LEU 41 Cb -0.21 -2.94 0.04 0.00 0.50 0.00 0.00 46.19 43.58 2cui s LEU 41 CO -0.04 -0.06 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.70 2cui s ARG 42 N 0.68 2.57 -0.22 1.98 0.52 0.15 -2.20 118.95 122.42 2cui s ARG 42 Ca 0.33 -1.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.36 2cui s ARG 42 Cb -0.17 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 2cui s ARG 42 CO 0.15 -0.45 0.00 -0.59 0.02 0.00 0.00 175.30 174.43 2cui s PHE 43 N 1.21 3.02 0.08 -0.53 -0.71 -1.25 -1.62 117.98 118.19 2cui s PHE 43 Ca -0.03 -0.64 0.06 0.00 -1.04 0.00 0.00 56.93 55.28 2cui s PHE 43 Cb -0.18 -2.14 -0.03 0.00 -1.21 0.00 0.00 43.02 39.46 2cui s PHE 43 CO -0.06 -0.40 -0.17 0.20 -1.34 0.00 0.00 175.22 173.45 2cui s GLY 44 N 1.38 1.03 -0.44 1.99 0.00 -0.78 -4.51 107.32 106.00 2cui s GLY 44 Ca 0.05 -1.11 -0.29 0.00 0.00 0.00 0.00 44.72 43.37 2cui s GLY 44 CO 0.00 -1.12 1.15 0.14 0.00 0.00 0.00 173.10 173.26 2cui s VAL 45 N -1.22 4.24 -0.30 1.40 1.01 -1.26 -2.73 120.40 121.54 2cui s VAL 45 Ca 0.02 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 63.02 2cui s VAL 45 Cb -0.10 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 2cui s VAL 45 CO 0.03 -0.89 1.67 -2.16 0.00 0.00 0.00 175.10 173.75 2cui s PRO 46 N 4.32 3.56 -0.04 2.72 0.04 -1.26 -5.00 135.00 139.34 2cui s PRO 46 Ca 0.48 1.45 0.02 0.00 0.04 0.00 0.00 61.00 62.99 2cui s PRO 46 Cb -0.09 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 2cui s PRO 46 CO 0.28 -1.59 -0.06 -1.54 0.04 0.00 0.00 177.00 174.13 2cui s SER 47 N 5.02 4.67 0.68 6.66 1.04 -1.26 -5.07 113.70 125.45 2cui s SER 47 Ca 0.74 -0.06 -0.14 0.00 0.48 0.00 0.00 55.95 56.97 2cui s SER 47 Cb -0.22 -1.15 0.01 0.00 0.10 0.00 0.00 66.02 64.76 2cui s SER 47 CO 0.32 0.33 1.11 -2.16 0.98 0.00 0.00 173.24 173.82 2cui s PRO 48 N -1.05 2.69 -0.05 4.02 0.04 -1.26 -4.96 135.00 134.43 2cui s PRO 48 Ca 0.14 1.35 0.19 0.00 0.04 0.00 0.00 61.00 62.72 2cui s PRO 48 Cb -0.11 -1.94 0.65 0.00 0.04 0.00 0.00 34.50 33.14 2cui s PRO 48 CO 0.04 -1.33 1.54 0.45 0.04 0.00 0.00 177.00 177.75 2cui n SER 49 N -2.63 4.10 -0.09 6.66 2.88 -1.26 -4.15 113.62 119.13 2cui n SER 49 Ca 0.10 -2.21 -0.10 0.00 -1.33 0.00 0.00 58.87 55.34 2cui n SER 49 Cb 0.52 -0.51 -0.13 0.00 -0.75 0.00 0.00 64.21 63.34 2cui n SER 49 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2cui n THR 50 N 1.29 1.18 -2.55 2.46 5.66 -1.26 -5.00 114.28 116.07 2cui n THR 50 Ca 0.24 -0.67 -0.27 0.00 -3.05 0.00 0.00 64.05 60.30 2cui n THR 50 Cb 0.71 -0.69 0.02 0.00 -1.55 0.00 0.00 70.33 68.82 2cui n THR 50 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2cui s LEU 51 N -5.45 3.43 0.18 1.09 2.96 -1.26 -5.06 118.68 114.57 2cui s LEU 51 Ca -0.12 0.76 -0.28 0.00 -0.22 0.00 0.00 54.13 54.26 2cui s LEU 51 Cb 0.06 -3.64 -0.08 0.00 0.50 0.00 0.00 46.19 43.03 2cui s LEU 51 CO 0.66 -0.84 0.87 -1.61 -1.32 0.00 0.00 176.35 174.11 2cui s GLU 52 N -4.85 4.71 0.51 1.98 2.02 -1.26 -4.97 118.70 116.83 2cui s GLU 52 Ca 0.51 1.34 -0.21 0.00 0.02 0.00 0.00 54.97 56.63 2cui s GLU 52 Cb -0.10 -3.30 -0.06 0.00 0.10 0.00 0.00 34.13 30.76 2cui s GLU 52 CO 0.44 0.47 1.14 -1.25 0.02 0.00 0.00 175.26 176.08 2cui s PRO 53 N -0.88 3.52 0.29 0.39 0.04 -1.26 -5.02 135.00 132.07 2cui s PRO 53 Ca 0.40 1.67 -0.21 0.00 0.04 0.00 0.00 61.00 62.90 2cui s PRO 53 Cb -0.24 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 2cui s PRO 53 CO 0.29 -0.73 0.82 -1.01 0.04 0.00 0.00 177.00 176.41 2cui s HIS 54 N -1.69 3.59 -2.00 0.56 3.76 -1.26 -4.94 115.29 113.31 2cui s HIS 54 Ca 0.69 1.51 0.15 0.00 -0.15 0.00 0.00 55.06 57.26 2cui s HIS 54 Cb -0.26 -2.73 0.91 0.00 1.11 0.00 0.00 32.58 31.62 2cui s HIS 54 CO 0.30 0.22 1.32 -0.35 -0.85 0.00 0.00 174.74 175.37 2cui n PRO 55 N 0.37 0.49 -4.03 8.40 -0.04 -1.26 -4.62 135.00 134.30 2cui n PRO 55 Ca 0.01 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 2cui n PRO 55 Cb 0.51 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 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 3.68 0.63 0.54 0.52 -1.26 -5.10 118.95 115.96 2cui s ARG 56 Ca 0.23 -0.49 -0.16 0.00 -0.52 0.00 0.00 55.73 54.79 2cui s ARG 56 Cb 0.10 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 2cui s ARG 56 CO 0.18 0.03 1.11 -1.25 0.02 0.00 0.00 175.30 175.39 2cui s PRO 57 N 0.98 2.92 -0.31 3.54 0.04 -1.26 -5.03 135.00 135.86 2cui s PRO 57 Ca 0.02 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.51 2cui s PRO 57 Cb -0.14 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.51 2cui s PRO 57 CO 0.02 -1.16 0.01 -0.51 0.04 0.00 0.00 177.00 175.39 2cui s LEU 58 N -4.64 4.22 0.45 -3.56 1.43 -1.26 -5.10 118.68 110.22 2cui s LEU 58 Ca 0.68 -1.70 -0.25 0.00 -1.03 0.00 0.00 54.13 51.83 2cui s LEU 58 Cb -0.21 -1.65 -0.08 0.00 0.03 0.00 0.00 46.19 44.28 2cui s LEU 58 CO 0.38 -0.31 1.39 -0.22 0.23 0.00 0.00 176.35 177.82 2cui s LEU 59 N 1.07 4.11 0.11 1.79 2.96 -1.26 -5.02 118.68 122.46 2cui s LEU 59 Ca 0.01 2.84 0.03 0.00 -0.22 0.00 0.00 54.13 56.79 2cui s LEU 59 Cb -0.20 -3.96 -0.04 0.00 0.50 0.00 0.00 46.19 42.49 2cui s LEU 59 CO -0.05 -1.13 0.15 0.00 -1.32 0.00 0.00 176.35 174.00 2cui s GLN 60 N -2.45 3.06 0.11 1.98 -2.07 -1.26 -5.06 119.66 113.98 2cui s GLN 60 Ca 0.61 -0.69 -0.00 0.00 -1.82 0.00 0.00 55.36 53.45 2cui s GLN 60 Cb -0.42 -2.79 -0.04 0.00 -1.09 0.00 0.00 33.01 28.67 2cui s GLN 60 CO 0.54 0.54 0.01 1.03 -1.32 0.00 0.00 175.29 176.08 2cui s ARG 61 N -2.77 0.85 0.04 9.60 0.52 -1.26 -5.14 118.95 120.79 2cui s ARG 61 Ca 0.32 -1.37 -0.16 0.00 -0.52 0.00 0.00 55.73 53.99 2cui s ARG 61 Cb -0.11 0.10 0.03 0.00 0.52 0.00 0.00 34.95 35.48 2cui s ARG 61 CO 0.24 -0.17 0.35 -1.83 0.02 0.00 0.00 175.30 173.92 2cui s GLU 62 N -3.96 0.85 0.17 3.54 1.03 -1.26 -3.74 118.70 115.32 2cui s GLU 62 Ca 0.17 -0.42 0.04 0.00 0.03 0.00 0.00 54.97 54.79 2cui s GLU 62 Cb 0.07 0.37 -0.04 0.00 -0.80 0.00 0.00 34.13 33.74 2cui s GLU 62 CO -0.02 -0.28 0.20 -1.17 -1.33 0.00 0.00 175.26 172.66 2cui s LEU 63 N -1.99 4.02 -0.22 1.83 2.96 -0.94 -4.93 118.68 119.41 2cui s LEU 63 Ca -0.06 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2cui s LEU 63 Cb -0.01 -2.61 0.05 0.00 0.50 0.00 0.00 46.19 44.12 2cui s LEU 63 CO -0.02 0.05 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.66 2cui s MET 64 N -3.23 1.82 -0.01 1.98 1.75 -1.26 -2.91 119.30 117.43 2cui s MET 64 Ca 0.32 -0.91 0.02 0.00 -1.25 0.00 0.00 55.69 53.87 2cui s MET 64 Cb -0.10 -2.49 0.00 0.00 2.84 0.00 0.00 34.83 35.08 2cui s MET 64 CO 0.26 -0.51 -0.06 0.08 -0.65 0.00 0.00 175.02 174.13 2cui s VAL 65 N 1.40 0.52 0.48 10.11 1.01 -0.91 -4.98 120.40 128.04 2cui s VAL 65 Ca -0.04 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 2cui s VAL 65 Cb -0.18 -0.46 -0.07 0.00 0.00 0.00 0.00 36.38 35.67 2cui s VAL 65 CO -0.07 0.16 1.15 -2.16 0.00 0.00 0.00 175.10 174.19 2cui s PRO 66 N 0.06 3.65 0.35 2.72 0.04 -1.26 0.12 135.00 140.68 2cui s PRO 66 Ca -0.00 1.73 0.15 0.00 0.04 0.00 0.00 61.00 62.92 2cui s PRO 66 Cb -0.05 -2.30 1.12 0.00 0.04 0.00 0.00 34.50 33.32 2cui s PRO 66 CO -0.00 -0.63 1.65 0.78 0.04 0.00 0.00 177.00 178.84 2cui h GLY 67 N 1.82 2.09 1.16 0.56 0.00 -1.72 0.81 103.07 107.79 2cui h GLY 67 Ca -0.50 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 46.68 2cui h GLY 67 CO 0.59 -0.53 0.38 0.00 0.00 0.00 0.00 176.54 176.98 2cui h THR 68 N 0.29 0.95 -3.31 4.70 1.03 -1.88 -3.40 112.91 111.28 2cui h THR 68 Ca 0.75 -0.16 -0.62 0.00 -0.01 0.00 0.00 66.41 66.37 2cui h THR 68 Cb 1.75 0.45 -0.18 0.00 -1.07 0.00 0.00 68.15 69.10 2cui h THR 68 CO -0.62 0.08 -0.59 -0.13 -0.01 0.00 0.00 175.52 174.25 2cui s ARG 69 N -5.43 3.88 -0.61 0.00 0.52 0.28 -5.03 118.95 112.56 2cui s ARG 69 Ca -0.08 -0.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.79 2cui s ARG 69 Cb 0.19 -3.15 0.28 0.00 0.52 0.00 0.00 34.95 32.79 2cui s ARG 69 CO 0.75 0.24 0.81 0.72 0.02 0.00 0.00 175.30 177.84 2cui n HIS 70 N 3.61 3.67 -3.94 -0.53 8.25 -1.26 -4.32 115.22 120.71 2cui n HIS 70 Ca -0.17 -4.09 -0.10 0.00 -0.26 0.00 0.00 57.72 53.11 2cui n HIS 70 Cb 0.52 -0.53 -0.11 0.00 1.12 0.00 0.00 29.99 30.99 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 -2.79 0.16 -0.18 0.41 1.04 -1.26 -3.28 113.70 107.80 2cui s SER 71 Ca 0.43 -0.37 -0.07 0.00 0.48 0.00 0.00 55.95 56.42 2cui s SER 71 Cb 0.20 0.13 0.08 0.00 0.10 0.00 0.00 66.02 66.53 2cui s SER 71 CO -0.06 -0.30 0.39 0.00 0.98 0.00 0.00 173.24 174.25 2cui s ALA 72 N -1.34 -1.02 -0.22 5.32 0.00 -1.24 -4.88 121.76 118.37 2cui s ALA 72 Ca -0.15 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.24 2cui s ALA 72 Cb -0.09 -1.18 0.04 0.00 0.00 0.00 0.00 23.12 21.90 2cui s ALA 72 CO -0.00 -0.62 -0.13 0.08 0.00 0.00 0.00 175.76 175.09 2cui s VAL 73 N 2.30 1.97 0.12 0.00 1.01 -1.26 -0.57 120.40 123.97 2cui s VAL 73 Ca -0.03 -1.26 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 2cui s VAL 73 Cb -0.11 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2cui s VAL 73 CO -0.12 0.18 0.36 -0.76 0.00 0.00 0.00 175.10 174.76 2cui s LEU 74 N 1.24 4.29 0.00 3.92 2.01 -1.20 -4.98 118.68 123.96 2cui s LEU 74 Ca -0.03 0.59 0.04 0.00 0.01 0.00 0.00 54.13 54.74 2cui s LEU 74 Cb -0.17 -3.21 -0.01 0.00 0.01 0.00 0.00 46.19 42.80 2cui s LEU 74 CO -0.08 0.08 0.14 0.54 1.01 0.00 0.00 176.35 178.05 2cui n ARG 75 N 0.25 0.59 -3.54 1.70 1.74 -1.26 -3.28 116.66 112.85 2cui n ARG 75 Ca -0.04 -3.31 -0.26 0.00 -0.77 0.00 0.00 57.85 53.47 2cui n ARG 75 Cb 0.52 1.83 0.01 0.00 -1.02 0.00 0.00 32.46 33.80 2cui n ARG 75 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2cui n ASP 76 N -1.55 -4.50 -4.75 0.55 9.92 -1.22 -4.95 116.55 110.04 2cui n ASP 76 Ca -0.05 -0.54 -0.24 0.00 -0.53 0.00 0.00 54.79 53.43 2cui n ASP 76 Cb 0.59 -3.65 0.09 0.00 -0.64 0.00 0.00 41.12 37.50 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 -6.84 2.99 0.31 0.64 1.43 -0.04 -5.07 118.68 112.10 2cui s LEU 77 Ca 0.49 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.47 2cui s LEU 77 Cb -0.25 -2.46 -0.06 0.00 0.03 0.00 0.00 46.19 43.45 2cui s LEU 77 CO 0.61 -1.71 0.61 -0.60 0.23 0.00 0.00 176.35 175.49 2cui s ARG 78 N -5.14 3.70 0.17 1.70 6.06 -1.26 -4.66 118.95 119.53 2cui s ARG 78 Ca 0.63 0.18 -0.27 0.00 -2.50 0.00 0.00 55.73 53.77 2cui s ARG 78 Cb -0.08 -2.58 -0.08 0.00 0.06 0.00 0.00 34.95 32.28 2cui s ARG 78 CO 0.44 0.17 0.83 -1.54 -2.50 0.00 0.00 175.30 172.70 2cui s SER 79 N -3.01 7.45 -1.42 -2.12 1.04 -1.26 -4.04 113.70 110.34 2cui s SER 79 Ca 0.46 1.72 -0.04 0.00 0.48 0.00 0.00 55.95 58.57 2cui s SER 79 Cb -0.11 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2cui s SER 79 CO 0.28 0.16 0.32 0.61 0.98 0.00 0.00 173.24 175.59 2cui n GLY 80 N 1.70 -0.28 3.06 7.32 0.00 -0.89 -4.83 105.19 111.27 2cui n GLY 80 Ca -0.04 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.05 0.61 -0.12 2.61 2.01 -1.25 -4.92 115.64 110.54 2cui s THR 81 Ca 0.07 -0.92 -0.22 0.00 0.31 0.00 0.00 61.69 60.92 2cui s THR 81 Cb -0.03 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 2cui s THR 81 CO 0.93 -0.24 0.66 -0.22 -0.69 0.00 0.00 174.62 175.07 2cui s LEU 82 N -1.27 4.25 0.05 4.42 1.98 -1.26 -2.07 118.68 124.79 2cui s LEU 82 Ca -0.06 1.04 0.06 0.00 -2.89 0.00 0.00 54.13 52.28 2cui s LEU 82 Cb -0.08 -2.99 -0.04 0.00 0.66 0.00 0.00 46.19 43.74 2cui s LEU 82 CO 0.00 -0.17 -0.11 -0.31 -1.89 0.00 0.00 176.35 173.87 2cui s TYR 83 N 1.20 2.74 -0.41 5.38 1.51 -0.88 -4.54 117.35 122.35 2cui s TYR 83 Ca 0.34 -0.15 -0.11 0.00 -1.01 0.00 0.00 57.07 56.14 2cui s TYR 83 Cb -0.17 -1.50 0.05 0.00 -0.11 0.00 0.00 41.96 40.24 2cui s TYR 83 CO 0.14 0.36 0.25 0.45 -1.11 0.00 0.00 175.55 175.65 2cui s SER 84 N -1.73 5.77 -0.02 2.29 0.15 -1.11 -3.34 113.70 115.72 2cui s SER 84 Ca 0.18 -1.23 -0.02 0.00 0.70 0.00 0.00 55.95 55.58 2cui s SER 84 Cb -0.11 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 2cui s SER 84 CO 0.09 -0.48 0.15 -0.76 1.20 0.00 0.00 173.24 173.44 2cui s LEU 85 N 1.52 4.22 -0.19 3.45 1.43 -0.86 -1.86 118.68 126.39 2cui s LEU 85 Ca 0.03 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.38 2cui s LEU 85 Cb -0.21 -2.45 0.09 0.00 0.03 0.00 0.00 46.19 43.65 2cui s LEU 85 CO 0.05 0.28 0.25 -0.89 0.23 0.00 0.00 176.35 176.27 2cui s THR 86 N -1.25 -0.38 0.31 5.49 2.01 -0.64 -1.15 115.64 120.02 2cui s THR 86 Ca 0.25 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 2cui s THR 86 Cb -0.12 -0.64 -0.08 0.00 0.01 0.00 0.00 72.50 71.66 2cui s THR 86 CO 0.16 -0.12 0.69 -0.22 -0.69 0.00 0.00 174.62 174.43 2cui s LEU 87 N 2.38 4.07 -0.18 4.42 2.96 -0.40 -0.68 118.68 131.25 2cui s LEU 87 Ca 0.07 1.18 -0.01 0.00 -0.22 0.00 0.00 54.13 55.14 2cui s LEU 87 Cb -0.15 -3.98 0.05 0.00 0.50 0.00 0.00 46.19 42.61 2cui s LEU 87 CO -0.12 -0.19 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.41 2cui s TYR 88 N -1.97 1.43 -1.13 5.38 2.02 -0.83 -1.57 117.35 120.68 2cui s TYR 88 Ca 0.52 -1.00 -0.22 0.00 -0.37 0.00 0.00 57.07 56.00 2cui s TYR 88 Cb -0.10 -1.19 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 2cui s TYR 88 CO 0.19 -0.61 1.76 0.20 -1.57 0.00 0.00 175.55 175.52 2cui s GLY 89 N 1.72 0.89 -0.39 0.71 0.00 0.15 -2.17 107.32 108.24 2cui s GLY 89 Ca -0.01 -2.30 -0.27 0.00 0.00 0.00 0.00 44.72 42.14 2cui s GLY 89 CO -0.07 3.08 2.05 1.08 0.00 0.00 0.00 173.10 179.23 2cui s LEU 90 N 7.27 3.43 -0.07 0.66 2.01 -0.63 -0.66 118.68 130.68 2cui s LEU 90 Ca 0.59 1.22 0.05 0.00 0.01 0.00 0.00 54.13 56.00 2cui s LEU 90 Cb -0.00 -3.11 0.28 0.00 0.01 0.00 0.00 46.19 43.36 2cui s LEU 90 CO 0.03 -2.15 0.96 -1.14 1.01 0.00 0.00 176.35 175.07 2cui n ARG 91 N 8.78 2.27 0.00 1.70 0.00 -1.17 0.12 116.66 128.35 2cui n ARG 91 Ca 0.27 -1.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.05 2cui n ARG 91 Cb 0.49 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.25 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 0.30 1.18 0.09 5.14 0.00 -1.26 -4.58 105.19 106.05 2cui n GLY 92 Ca 0.09 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -5.70 1.61 0.13 -2.01 -3.46 132.00 122.47 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 -0.16 0.00 0.13 0.00 0.00 31.00 31.00 2cui h PRO 93 CO 0.00 0.36 -0.75 -1.01 -0.23 0.00 0.00 178.00 176.37 2cui s HIS 94 N -4.20 1.76 0.42 1.56 3.76 -1.26 -5.12 115.29 112.21 2cui s HIS 94 Ca -0.15 -0.53 -0.26 0.00 -0.15 0.00 0.00 55.06 53.97 2cui s HIS 94 Cb 0.02 -0.84 -0.09 0.00 1.11 0.00 0.00 32.58 32.78 2cui s HIS 94 CO 0.63 0.36 1.39 0.15 -0.85 0.00 0.00 174.74 176.41 2cui s LYS 95 N -3.33 3.85 -0.22 1.40 1.02 -1.26 -3.05 119.74 118.15 2cui s LYS 95 Ca 0.20 2.34 -0.06 0.00 0.02 0.00 0.00 55.97 58.47 2cui s LYS 95 Cb -0.03 -2.74 -0.11 0.00 -0.52 0.00 0.00 37.83 34.43 2cui s LYS 95 CO 0.07 -0.65 -0.25 0.00 -0.92 0.00 0.00 175.35 173.60 2cui n ALA 96 N 0.02 1.55 -2.37 5.17 0.00 0.16 -4.81 120.51 120.23 2cui n ALA 96 Ca 0.04 -0.89 -0.19 0.00 0.00 0.00 0.00 53.44 52.40 2cui n ALA 96 Cb 0.42 0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 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 -6.62 2.28 -0.21 0.00 2.15 -1.20 -4.76 116.67 108.30 2cui s ASP 97 Ca -0.30 -1.19 -0.12 0.00 0.43 0.00 0.00 52.55 51.37 2cui s ASP 97 Cb 0.10 -0.08 0.07 0.00 -0.30 0.00 0.00 42.92 42.71 2cui s ASP 97 CO 0.43 -0.42 0.52 -0.94 -0.17 0.00 0.00 175.17 174.60 2cui s SER 98 N -3.36 -0.69 0.30 -0.34 1.04 -1.26 0.31 113.70 109.70 2cui s SER 98 Ca 0.28 1.14 0.11 0.00 0.48 0.00 0.00 55.95 57.96 2cui s SER 98 Cb 0.04 1.03 -0.05 0.00 0.10 0.00 0.00 66.02 67.14 2cui s SER 98 CO 0.10 -0.21 -0.16 -0.51 0.98 0.00 0.00 173.24 173.44 2cui s ILE 99 N 1.51 2.47 -0.16 -1.02 2.07 -0.61 -4.96 121.20 120.51 2cui s ILE 99 Ca -0.10 -2.32 0.01 0.00 -1.41 0.00 0.00 60.65 56.84 2cui s ILE 99 Cb -0.07 -2.44 0.02 0.00 0.13 0.00 0.00 42.46 40.10 2cui s ILE 99 CO -0.16 -0.34 -0.17 -1.10 -1.91 0.00 0.00 174.94 171.26 2cui s GLN 100 N -3.55 2.63 -0.18 3.50 -0.21 -1.26 -1.28 119.66 119.31 2cui s GLN 100 Ca 0.31 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 55.00 2cui s GLN 100 Cb -0.03 -2.31 0.04 0.00 1.00 0.00 0.00 33.01 31.70 2cui s GLN 100 CO 0.16 -0.21 -0.11 0.20 -2.12 0.00 0.00 175.29 173.21 2cui s GLY 101 N 1.34 1.19 -0.00 3.09 0.00 -0.30 -4.84 107.32 107.80 2cui s GLY 101 Ca 0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 44.72 43.66 2cui s GLY 101 CO -0.11 0.68 0.18 -0.51 0.00 0.00 0.00 173.10 173.33 2cui s THR 102 N 1.45 5.36 -0.14 0.90 -4.23 -1.26 -2.03 115.64 115.69 2cui s THR 102 Ca 0.01 -0.21 -0.23 0.00 -1.18 0.00 0.00 61.69 60.08 2cui s THR 102 Cb -0.15 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 70.23 2cui s THR 102 CO -0.09 0.31 0.58 0.00 -0.54 0.00 0.00 174.62 174.88 2cui s ALA 103 N -1.33 -1.46 -0.24 3.99 0.00 -1.21 -4.81 121.76 116.70 2cui s ALA 103 Ca 0.28 1.36 -0.06 0.00 0.00 0.00 0.00 51.96 53.54 2cui s ALA 103 Cb -0.13 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 2cui s ALA 103 CO 0.19 -0.31 0.01 0.50 0.00 0.00 0.00 175.76 176.16 2cui s ARG 104 N -0.42 3.49 0.90 0.00 3.52 -1.26 -2.06 118.95 123.11 2cui s ARG 104 Ca -0.06 -0.57 -0.11 0.00 -0.13 0.00 0.00 55.73 54.86 2cui s ARG 104 Cb -0.03 -3.17 0.13 0.00 -1.56 0.00 0.00 34.95 30.32 2cui s ARG 104 CO 0.04 -0.20 1.09 0.95 -0.81 0.00 0.00 175.30 176.37 2cui s THR 105 N 1.54 2.67 0.30 4.11 -4.23 -0.88 -4.90 115.64 114.25 2cui s THR 105 Ca 0.06 0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.70 2cui s THR 105 Cb -0.15 -2.64 -0.06 0.00 1.34 0.00 0.00 72.50 70.99 2cui s THR 105 CO 0.00 -0.28 0.62 -0.76 -0.54 0.00 0.00 174.62 173.66 2cui s LEU 106 N -6.27 4.03 0.10 4.79 1.43 -1.20 -3.18 118.68 118.39 2cui s LEU 106 Ca 0.64 0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 54.55 2cui s LEU 106 Cb -0.19 -3.73 -0.16 0.00 0.03 0.00 0.00 46.19 42.14 2cui s LEU 106 CO 0.57 -0.21 1.26 -1.28 0.23 0.00 0.00 176.35 176.92 2cui h SER 107 N 1.84 0.79 -4.20 2.29 0.87 -1.88 -2.38 113.55 110.89 2cui h SER 107 Ca -0.47 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.48 2cui h SER 107 Cb 1.18 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2cui h SER 107 CO 0.66 1.40 0.00 0.61 -0.53 0.00 0.00 176.83 178.97 2cui n GLY 108 N 0.93 -1.11 0.22 5.77 0.00 -1.26 -4.59 105.19 105.16 2cui n GLY 108 Ca -0.09 -1.63 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 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 0.55 -5.75 1.61 0.13 -2.03 -3.40 132.00 123.11 2cui h PRO 109 Ca 0.00 -0.29 -0.32 0.00 -0.87 0.00 0.00 66.00 64.52 2cui h PRO 109 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2cui h PRO 109 CO 0.00 0.88 0.83 -1.54 -0.23 0.00 0.00 178.00 177.94 2cui s SER 110 N -6.86 5.13 0.46 1.44 1.04 -1.26 -4.92 113.70 108.72 2cui s SER 110 Ca -0.07 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 55.92 2cui s SER 110 Cb 0.12 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 2cui s SER 110 CO 0.83 -2.71 0.01 -0.94 0.98 0.00 0.00 173.24 171.41 2cui s SER 111 N 8.15 3.89 0.00 7.02 1.04 -1.26 -5.09 113.70 127.45 2cui s SER 111 Ca 0.70 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2cui s SER 111 Cb -0.08 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2cui s SER 111 CO 0.03 -0.71 0.06 0.61 0.98 0.00 0.00 173.24 174.21