#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2itc s ILE 2 N 0.00 4.76 -0.20 0.53 1.01 -1.26 -5.01 121.20 121.02 2itc s ILE 2 Ca 0.00 2.04 -0.12 0.00 0.00 0.00 0.00 60.65 62.56 2itc s ILE 2 Cb 0.00 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 2itc s ILE 2 CO 0.00 -0.02 0.23 -0.22 0.00 0.00 0.00 174.94 174.93 2itc s LEU 3 N 2.19 4.18 -0.26 2.97 2.96 -1.26 -4.81 118.68 124.64 2itc s LEU 3 Ca 0.48 0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 54.63 2itc s LEU 3 Cb -0.18 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 2itc s LEU 3 CO 0.16 0.07 0.08 -0.76 -1.32 0.00 0.00 176.35 174.58 2itc s LEU 4 N 0.81 3.57 -0.23 -0.68 1.02 -1.26 -0.98 118.68 120.93 2itc s LEU 4 Ca 0.12 -0.31 -0.07 0.00 0.02 0.00 0.00 54.13 53.89 2itc s LEU 4 Cb -0.13 -1.93 -0.03 0.00 0.02 0.00 0.00 46.19 44.12 2itc s LEU 4 CO 0.04 -0.07 0.05 -0.89 0.02 0.00 0.00 176.35 175.49 2itc s THR 5 N 1.60 4.26 -0.35 5.49 2.01 0.28 -3.95 115.64 124.98 2itc s THR 5 Ca 0.06 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 2itc s THR 5 Cb -0.16 -2.97 0.07 0.00 0.01 0.00 0.00 72.50 69.45 2itc s THR 5 CO 0.04 0.37 0.10 -1.10 -0.69 0.00 0.00 174.62 173.34 2itc s GLN 6 N 1.39 2.27 0.01 4.92 -0.21 -1.26 -1.53 119.66 125.24 2itc s GLN 6 Ca 0.05 -1.49 0.01 0.00 0.02 0.00 0.00 55.36 53.95 2itc s GLN 6 Cb -0.15 -3.39 -0.01 0.00 1.00 0.00 0.00 33.01 30.46 2itc s GLN 6 CO 0.03 -0.82 -0.04 0.45 -2.12 0.00 0.00 175.29 172.78 2itc s SER 7 N 1.52 0.48 0.75 5.90 0.15 -1.24 -4.27 113.70 116.99 2itc s SER 7 Ca 0.01 -0.20 -0.11 0.00 0.70 0.00 0.00 55.95 56.36 2itc s SER 7 Cb -0.21 -0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.13 2itc s SER 7 CO -0.02 -0.04 1.08 -2.16 1.20 0.00 0.00 173.24 173.30 2itc s PRO 8 N -0.50 2.45 0.53 5.44 0.04 -1.26 -4.41 135.00 137.29 2itc s PRO 8 Ca -0.03 1.03 0.32 0.00 0.04 0.00 0.00 61.00 62.36 2itc s PRO 8 Cb -0.04 -1.93 1.21 0.00 0.04 0.00 0.00 34.50 33.78 2itc s PRO 8 CO -0.00 -1.47 1.93 0.00 0.04 0.00 0.00 177.00 177.50 2itc h ALA 9 N -0.99 1.00 -3.70 8.56 0.00 -1.83 -3.44 119.26 118.86 2itc h ALA 9 Ca -0.44 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.19 2itc h ALA 9 Cb 1.23 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.72 2itc h ALA 9 CO 0.54 0.03 -0.73 0.42 0.00 0.00 0.00 179.25 179.51 2itc s ILE 10 N -3.61 0.03 -0.13 0.00 1.01 -1.26 -1.34 121.20 115.89 2itc s ILE 10 Ca 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 2itc s ILE 10 Cb 0.09 -0.06 0.02 0.00 0.01 0.00 0.00 42.46 42.52 2itc s ILE 10 CO 0.57 0.03 -0.10 -0.22 0.00 0.00 0.00 174.94 175.22 2itc s LEU 11 N 0.22 1.40 -0.23 2.97 2.96 0.02 -4.92 118.68 121.10 2itc s LEU 11 Ca -0.02 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 2itc s LEU 11 Cb -0.03 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 2itc s LEU 11 CO -0.01 -0.10 0.11 -0.44 -1.32 0.00 0.00 176.35 174.60 2itc s SER 12 N 1.62 5.74 0.06 3.68 0.01 -1.26 -0.40 113.70 123.15 2itc s SER 12 Ca 0.05 0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.34 2itc s SER 12 Cb -0.13 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 2itc s SER 12 CO -0.09 0.06 -0.07 0.54 0.41 0.00 0.00 173.24 174.08 2itc s VAL 13 N 1.07 0.60 0.25 3.43 0.11 0.03 -4.96 120.40 120.94 2itc s VAL 13 Ca 0.06 -1.38 -0.14 0.00 -2.93 0.00 0.00 61.98 57.59 2itc s VAL 13 Cb -0.14 -0.98 -0.08 0.00 -1.53 0.00 0.00 36.38 33.65 2itc s VAL 13 CO 0.04 -0.55 0.65 -0.44 -3.33 0.00 0.00 175.10 171.47 2itc s SER 14 N -2.08 6.78 0.36 3.54 0.01 -1.26 -0.45 113.70 120.60 2itc s SER 14 Ca -0.02 1.16 -0.25 0.00 1.31 0.00 0.00 55.95 58.14 2itc s SER 14 Cb -0.05 -2.32 -0.13 0.00 0.21 0.00 0.00 66.02 63.73 2itc s SER 14 CO -0.01 -0.08 0.85 -2.65 0.41 0.00 0.00 173.24 171.76 2itc n PRO 15 N 0.06 1.05 -0.79 12.44 -0.02 -1.26 -1.86 135.00 144.62 2itc n PRO 15 Ca 0.00 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2itc n PRO 15 Cb 0.52 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2itc n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2itc n GLY 16 N 1.41 0.58 3.87 -1.23 0.00 0.07 -4.86 105.19 105.03 2itc n GLY 16 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2itc n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2itc s GLU 17 N -0.43 3.83 0.20 1.61 2.12 -0.78 -3.75 118.70 121.51 2itc s GLU 17 Ca 0.00 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.44 2itc s GLU 17 Cb 0.00 -2.52 -0.08 0.00 0.26 0.00 0.00 34.13 31.79 2itc s GLU 17 CO 0.00 0.17 0.93 0.50 -0.54 0.00 0.00 175.26 176.31 2itc s ARG 18 N -3.22 4.79 0.05 4.30 3.52 -1.26 -1.10 118.95 126.02 2itc s ARG 18 Ca 0.50 1.44 0.05 0.00 -0.13 0.00 0.00 55.73 57.59 2itc s ARG 18 Cb -0.11 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 2itc s ARG 18 CO 0.24 0.45 -0.14 0.54 -0.81 0.00 0.00 175.30 175.58 2itc s VAL 19 N -0.90 1.14 -0.10 7.11 0.11 -0.52 -4.94 120.40 122.30 2itc s VAL 19 Ca 0.42 -1.08 -0.00 0.00 -2.93 0.00 0.00 61.98 58.39 2itc s VAL 19 Cb -0.25 -1.04 0.02 0.00 -1.53 0.00 0.00 36.38 33.58 2itc s VAL 19 CO 0.31 -0.04 -0.07 -0.44 -3.33 0.00 0.00 175.10 171.53 2itc s SER 20 N -1.28 1.94 0.03 3.54 0.01 -1.26 -1.22 113.70 115.46 2itc s SER 20 Ca 0.01 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 56.93 2itc s SER 20 Cb -0.08 -0.74 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 2itc s SER 20 CO 0.02 -0.11 0.33 -0.36 0.41 0.00 0.00 173.24 173.52 2itc s PHE 21 N 1.57 3.60 -0.06 2.43 0.40 0.17 -4.93 117.98 121.16 2itc s PHE 21 Ca 0.02 0.70 0.04 0.00 -0.60 0.00 0.00 56.93 57.08 2itc s PHE 21 Cb -0.13 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.30 2itc s PHE 21 CO -0.06 0.59 -0.16 0.45 0.70 0.00 0.00 175.22 176.74 2itc s SER 22 N -1.63 3.83 -0.12 1.36 0.15 -1.26 -1.49 113.70 114.53 2itc s SER 22 Ca 0.29 -0.28 -0.03 0.00 0.70 0.00 0.00 55.95 56.63 2itc s SER 22 Cb -0.14 -0.92 0.05 0.00 -1.71 0.00 0.00 66.02 63.30 2itc s SER 22 CO 0.16 0.30 0.05 0.00 1.20 0.00 0.00 173.24 174.95 2itc s ARG 24 N 2.04 3.58 -0.08 0.00 3.52 -0.58 -1.23 118.95 126.21 2itc s ARG 24 Ca 0.03 -0.46 -0.09 0.00 -0.13 0.00 0.00 55.73 55.08 2itc s ARG 24 Cb -0.15 -2.95 -0.05 0.00 -1.56 0.00 0.00 34.95 30.25 2itc s ARG 24 CO -0.07 0.36 0.22 0.00 -0.81 0.00 0.00 175.30 175.00 2itc s ALA 25 N 0.07 3.83 -0.30 6.12 0.00 0.13 -0.55 121.76 131.06 2itc s ALA 25 Ca 0.01 -0.52 0.20 0.00 0.00 0.00 0.00 51.96 51.66 2itc s ALA 25 Cb -0.13 -2.09 1.06 0.00 0.00 0.00 0.00 23.12 21.96 2itc s ALA 25 CO 0.02 0.59 1.62 -1.13 0.00 0.00 0.00 175.76 176.86 2itc n SER 26 N 1.86 0.53 -3.58 0.00 3.41 -0.15 -4.64 113.62 111.05 2itc n SER 26 Ca -0.18 0.73 -0.12 0.00 -0.26 0.00 0.00 58.87 59.04 2itc n SER 26 Cb 0.54 -0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 2itc n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2itc s GLN 27 N -3.48 1.08 0.04 4.33 -2.07 -1.26 -4.99 119.66 113.30 2itc s GLN 27 Ca -0.01 -0.44 -0.32 0.00 -1.82 0.00 0.00 55.36 52.76 2itc s GLN 27 Cb 0.06 0.49 -0.11 0.00 -1.09 0.00 0.00 33.01 32.36 2itc s GLN 27 CO 0.21 -0.41 1.86 0.45 -1.32 0.00 0.00 175.29 176.07 2itc n SER 28 N 0.07 3.80 -0.37 12.60 2.88 -1.26 -4.70 113.62 126.65 2itc n SER 28 Ca -0.17 0.97 0.07 0.00 -1.33 0.00 0.00 58.87 58.41 2itc n SER 28 Cb 0.62 -1.47 0.13 0.00 -0.75 0.00 0.00 64.21 62.74 2itc n SER 28 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2itc n ILE 29 N 4.93 1.55 0.00 2.46 -5.35 0.41 -4.98 119.36 118.38 2itc n ILE 29 Ca 0.20 -2.09 0.00 0.00 -0.27 0.00 0.00 62.75 60.59 2itc n ILE 29 Cb 0.35 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 2itc n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2itc n GLY 30 N -1.01 3.96 0.73 3.28 0.00 -1.25 -2.43 105.19 108.48 2itc n GLY 30 Ca 0.14 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.24 2itc n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2itc n THR 31 N 0.00 1.04 -1.28 2.61 -2.24 -1.26 -0.08 114.28 113.07 2itc n THR 31 Ca 0.00 -1.72 -0.21 0.00 -2.27 0.00 0.00 64.05 59.85 2itc n THR 31 Cb 0.00 0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.40 2itc n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2itc n ASP 32 N -0.48 6.04 -4.48 3.42 10.43 -1.02 -2.83 116.55 127.64 2itc n ASP 32 Ca 0.11 -2.86 -0.32 0.00 2.57 0.00 0.00 54.79 54.28 2itc n ASP 32 Cb 0.82 -1.33 -0.13 0.00 1.84 0.00 0.00 41.12 42.32 2itc n ASP 32 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 2itc s ILE 33 N -0.62 3.02 0.00 0.53 1.10 -1.26 -1.89 121.20 122.08 2itc s ILE 33 Ca 0.63 -0.83 0.03 0.00 -0.51 0.00 0.00 60.65 59.97 2itc s ILE 33 Cb 0.34 -2.21 -0.01 0.00 0.15 0.00 0.00 42.46 40.74 2itc s ILE 33 CO -0.11 0.53 -0.09 -1.00 -2.11 0.00 0.00 174.94 172.15 2itc s HIS 34 N -0.79 0.83 -0.05 3.50 3.76 0.25 0.96 115.29 123.75 2itc s HIS 34 Ca 0.12 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 2itc s HIS 34 Cb -0.11 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 33.02 2itc s HIS 34 CO 0.02 -0.01 -0.02 -1.58 -0.85 0.00 0.00 174.74 172.29 2itc s TRP 35 N -0.35 3.05 0.06 1.40 0.52 0.30 -0.45 118.94 123.48 2itc s TRP 35 Ca 0.02 0.10 0.06 0.00 0.02 0.00 0.00 56.10 56.30 2itc s TRP 35 Cb -0.04 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 2itc s TRP 35 CO -0.00 0.42 -0.15 0.71 0.02 0.00 0.00 176.95 177.95 2itc s TYR 36 N -0.92 1.33 -0.08 -1.98 1.51 -0.26 -0.09 117.35 116.86 2itc s TYR 36 Ca 0.15 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 2itc s TYR 36 Cb -0.11 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 2itc s TYR 36 CO 0.04 0.07 -0.10 -1.14 -1.11 0.00 0.00 175.55 173.31 2itc s GLN 37 N -1.45 2.86 -0.20 -0.62 0.74 0.51 -1.50 119.66 120.00 2itc s GLN 37 Ca 0.01 -0.61 -0.05 0.00 0.05 0.00 0.00 55.36 54.76 2itc s GLN 37 Cb -0.09 -2.56 0.07 0.00 1.10 0.00 0.00 33.01 31.53 2itc s GLN 37 CO 0.02 0.54 0.10 -1.14 -0.55 0.00 0.00 175.29 174.26 2itc s GLN 38 N -0.49 0.10 0.66 1.67 0.74 -0.26 0.59 119.66 122.67 2itc s GLN 38 Ca 0.07 -0.19 -0.07 0.00 0.05 0.00 0.00 55.36 55.22 2itc s GLN 38 Cb -0.12 -1.69 0.04 0.00 1.10 0.00 0.00 33.01 32.34 2itc s GLN 38 CO 0.02 -0.75 0.98 1.03 -0.55 0.00 0.00 175.29 176.02 2itc s ARG 39 N 2.13 2.55 -0.03 1.67 0.52 -1.26 -0.78 118.95 123.75 2itc s ARG 39 Ca 0.03 -0.08 -0.36 0.00 -0.52 0.00 0.00 55.73 54.80 2itc s ARG 39 Cb -0.16 -2.20 -0.14 0.00 0.52 0.00 0.00 34.95 32.97 2itc s ARG 39 CO -0.15 -1.00 1.64 2.41 0.02 0.00 0.00 175.30 178.21 2itc n THR 40 N -2.79 0.22 -1.22 0.02 -1.04 -1.26 -1.28 114.28 106.94 2itc n THR 40 Ca 0.06 -0.04 -0.07 0.00 -2.04 0.00 0.00 64.05 61.96 2itc n THR 40 Cb 0.59 -1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 67.70 2itc n THR 40 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2itc n ASN 41 N 4.49 -5.24 -4.87 8.00 3.02 -1.26 -4.98 115.26 114.43 2itc n ASN 41 Ca 0.21 0.18 -0.25 0.00 -0.03 0.00 0.00 54.58 54.70 2itc n ASN 41 Cb 0.23 -3.39 -0.02 0.00 -0.61 0.00 0.00 39.78 35.98 2itc n ASN 41 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2itc s GLY 42 N -2.36 2.31 0.39 7.41 0.00 -0.40 -5.13 107.32 109.52 2itc s GLY 42 Ca 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 44.72 43.18 2itc s GLY 42 CO 0.00 -1.88 0.57 -1.35 0.00 0.00 0.00 173.10 170.44 2itc s SER 43 N -4.17 5.97 0.37 1.64 1.04 -1.26 -4.70 113.70 112.59 2itc s SER 43 Ca 0.39 0.15 -0.27 0.00 0.48 0.00 0.00 55.95 56.69 2itc s SER 43 Cb -0.01 -1.54 -0.10 0.00 0.10 0.00 0.00 66.02 64.48 2itc s SER 43 CO 0.23 -0.52 1.31 -2.84 0.98 0.00 0.00 173.24 172.40 2itc s PRO 44 N -4.36 4.15 -0.10 4.02 0.02 -1.26 -4.59 135.00 132.88 2itc s PRO 44 Ca 0.45 2.19 -0.00 0.00 0.02 0.00 0.00 61.00 63.66 2itc s PRO 44 Cb -0.10 -2.90 0.02 0.00 0.02 0.00 0.00 34.50 31.54 2itc s PRO 44 CO 0.35 -0.35 -0.07 0.50 -0.33 0.00 0.00 177.00 177.10 2itc s ARG 45 N -2.04 1.36 0.02 5.54 3.52 0.20 -4.89 118.95 122.66 2itc s ARG 45 Ca 0.53 -0.20 -0.35 0.00 -0.13 0.00 0.00 55.73 55.58 2itc s ARG 45 Cb -0.39 -1.45 -0.14 0.00 -1.56 0.00 0.00 34.95 31.42 2itc s ARG 45 CO 0.51 -0.25 1.67 -0.11 -0.81 0.00 0.00 175.30 176.31 2itc n LEU 46 N 4.87 2.95 -0.08 -0.88 7.94 -1.26 -0.37 117.00 130.18 2itc n LEU 46 Ca -0.13 1.05 -0.16 0.00 -1.11 0.00 0.00 56.01 55.66 2itc n LEU 46 Cb 0.50 -1.35 -0.06 0.00 0.53 0.00 0.00 43.42 43.05 2itc n LEU 46 CO 0.16 -0.32 -1.03 0.18 -1.11 0.00 0.00 177.39 175.27 2itc n LEU 47 N 4.64 1.47 -3.97 -1.96 4.77 0.87 -4.88 117.00 117.94 2itc n LEU 47 Ca 0.20 0.14 -0.17 0.00 -0.03 0.00 0.00 56.01 56.16 2itc n LEU 47 Cb 0.26 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 40.73 2itc n LEU 47 CO 0.68 0.41 -0.41 -0.63 -1.33 0.00 0.00 177.39 176.12 2itc s ILE 48 N -2.29 0.47 0.16 -0.08 -1.09 -1.16 -3.95 121.20 113.26 2itc s ILE 48 Ca -0.22 -0.25 0.10 0.00 -2.23 0.00 0.00 60.65 58.05 2itc s ILE 48 Cb 0.08 -0.40 -0.04 0.00 -1.58 0.00 0.00 42.46 40.51 2itc s ILE 48 CO 0.29 0.14 -0.18 -1.59 -1.23 0.00 0.00 174.94 172.36 2itc s LYS 49 N -0.09 1.73 -1.27 2.79 -2.85 -0.73 -0.54 119.74 118.78 2itc s LYS 49 Ca 0.02 -1.34 -0.26 0.00 -1.00 0.00 0.00 55.97 53.39 2itc s LYS 49 Cb -0.03 -2.01 0.03 0.00 -2.06 0.00 0.00 37.83 33.76 2itc s LYS 49 CO -0.00 0.44 0.57 0.66 0.10 0.00 0.00 175.35 177.11 2itc n TYR 50 N 0.41 -1.44 0.00 1.78 4.02 -0.83 -0.74 117.16 120.36 2itc n TYR 50 Ca -0.13 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 2itc n TYR 50 Cb 0.55 -2.91 0.00 0.00 -0.02 0.00 0.00 39.34 36.95 2itc n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2itc n ALA 51 N -4.85 0.00 -0.78 -0.72 0.00 0.27 -3.64 120.51 110.79 2itc n ALA 51 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2itc n ALA 51 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2itc n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2itc n SER 52 N 0.20 0.32 -4.71 0.00 3.41 -1.17 -3.05 113.62 108.63 2itc n SER 52 Ca 0.00 -1.10 -0.41 0.00 -0.26 0.00 0.00 58.87 57.09 2itc n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2itc n SER 52 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2itc s GLU 53 N -0.10 4.48 0.65 4.33 2.02 0.08 -4.63 118.70 125.52 2itc s GLU 53 Ca 0.00 1.21 -0.16 0.00 0.02 0.00 0.00 54.97 56.05 2itc s GLU 53 Cb 0.00 -3.48 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 2itc s GLU 53 CO 0.00 -0.08 1.12 -1.12 0.02 0.00 0.00 175.26 175.20 2itc s SER 54 N 0.97 5.14 -0.08 -0.19 0.01 -1.26 -1.77 113.70 116.53 2itc s SER 54 Ca 0.46 2.04 0.05 0.00 1.31 0.00 0.00 55.95 59.81 2itc s SER 54 Cb -0.19 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 2itc s SER 54 CO 0.22 -1.61 -0.23 -0.63 0.41 0.00 0.00 173.24 171.40 2itc s ILE 55 N -2.24 2.22 0.26 1.44 -1.09 -1.25 -4.82 121.20 115.72 2itc s ILE 55 Ca 0.68 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.81 2itc s ILE 55 Cb -0.21 -1.83 -0.10 0.00 -1.58 0.00 0.00 42.46 38.73 2itc s ILE 55 CO 0.40 0.56 1.48 -0.94 -1.23 0.00 0.00 174.94 175.21 2itc s SER 56 N -0.01 6.58 0.00 3.58 1.04 -1.26 -2.08 113.70 121.55 2itc s SER 56 Ca -0.08 2.75 0.00 0.00 0.48 0.00 0.00 55.95 59.10 2itc s SER 56 Cb -0.15 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.34 2itc s SER 56 CO 0.05 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2itc n GLY 57 N 2.13 1.34 3.75 7.32 0.00 -1.26 -5.06 105.19 113.40 2itc n GLY 57 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2itc n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2itc s ILE 58 N -2.29 5.32 0.31 -0.61 -1.09 -0.89 -5.05 121.20 116.91 2itc s ILE 58 Ca 0.00 0.47 -0.27 0.00 -2.23 0.00 0.00 60.65 58.62 2itc s ILE 58 Cb 0.00 -3.59 -0.14 0.00 -1.58 0.00 0.00 42.46 37.16 2itc s ILE 58 CO 0.00 0.43 0.92 -2.65 -1.23 0.00 0.00 174.94 172.42 2itc n PRO 59 N 3.29 1.16 0.00 2.79 -0.02 -1.26 -4.81 135.00 136.15 2itc n PRO 59 Ca -0.14 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 61.77 2itc n PRO 59 Cb 0.52 -1.76 0.08 0.00 -0.02 0.00 0.00 33.50 32.33 2itc n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2itc n SER 60 N 1.21 0.00 0.22 2.55 3.41 -1.26 -1.93 113.62 117.81 2itc n SER 60 Ca 0.10 0.40 0.07 0.00 -0.26 0.00 0.00 58.87 59.19 2itc n SER 60 Cb 0.33 -0.42 0.52 0.00 -0.26 0.00 0.00 64.21 64.37 2itc n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2itc h ARG 61 N 0.00 0.00 -5.94 4.33 2.43 -1.89 -3.43 114.38 109.88 2itc h ARG 61 Ca 0.00 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.59 2itc h ARG 61 Cb 0.05 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 2itc h ARG 61 CO 0.00 0.25 -0.09 -0.06 -1.51 0.00 0.00 179.97 178.55 2itc s PHE 62 N -4.17 3.63 -0.01 2.20 0.08 -0.81 -1.16 117.98 117.73 2itc s PHE 62 Ca -0.02 1.05 -0.17 0.00 0.12 0.00 0.00 56.93 57.90 2itc s PHE 62 Cb 0.14 -2.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 2itc s PHE 62 CO 0.66 0.33 0.37 -1.54 -0.10 0.00 0.00 175.22 174.94 2itc s SER 63 N -0.02 -0.26 0.13 1.36 1.04 0.02 -4.99 113.70 110.98 2itc s SER 63 Ca 0.28 0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.92 2itc s SER 63 Cb -0.17 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 2itc s SER 63 CO 0.14 -0.50 -0.16 -0.83 0.98 0.00 0.00 173.24 172.87 2itc s GLY 64 N -1.42 1.18 0.25 7.32 0.00 -1.26 0.91 107.32 114.31 2itc s GLY 64 Ca -0.12 -1.33 -0.12 0.00 0.00 0.00 0.00 44.72 43.15 2itc s GLY 64 CO 0.04 -1.38 0.46 -1.35 0.00 0.00 0.00 173.10 170.87 2itc s SER 65 N -2.41 -0.07 0.00 1.64 1.04 0.07 -4.22 113.70 109.74 2itc s SER 65 Ca 0.10 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2itc s SER 65 Cb -0.06 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2itc s SER 65 CO 0.04 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2itc n GLY 66 N -0.38 2.79 3.54 7.32 0.00 -1.26 0.04 105.19 117.24 2itc n GLY 66 Ca -0.01 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 2itc n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2itc s SER 67 N 0.00 -0.47 0.07 1.61 1.04 -1.12 -4.87 113.70 109.96 2itc s SER 67 Ca 0.00 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2itc s SER 67 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2itc s SER 67 CO 0.00 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2itc n GLY 68 N 0.53 1.22 0.00 7.32 0.00 0.88 -4.06 105.19 111.08 2itc n GLY 68 Ca -0.13 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2itc n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2itc n THR 69 N 0.00 0.00 -4.14 2.61 -2.24 -1.26 -0.44 114.28 108.80 2itc n THR 69 Ca 0.00 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 2itc n THR 69 Cb 0.00 0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 68.81 2itc n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2itc s ASP 70 N -1.27 3.57 0.11 3.42 1.01 -1.26 0.19 116.67 122.45 2itc s ASP 70 Ca 0.00 -0.54 0.07 0.00 0.71 0.00 0.00 52.55 52.79 2itc s ASP 70 Cb 0.00 -1.57 -0.04 0.00 1.01 0.00 0.00 42.92 42.32 2itc s ASP 70 CO 0.00 0.01 -0.18 -0.36 0.21 0.00 0.00 175.17 174.86 2itc s PHE 71 N 1.26 1.59 -0.02 4.23 0.40 -0.36 -2.79 117.98 122.29 2itc s PHE 71 Ca 0.03 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 2itc s PHE 71 Cb -0.14 -0.85 0.01 0.00 0.51 0.00 0.00 43.02 42.55 2itc s PHE 71 CO -0.08 0.19 -0.02 0.99 0.70 0.00 0.00 175.22 177.00 2itc s THR 72 N -1.57 0.24 -0.22 0.64 2.01 0.11 -1.59 115.64 115.26 2itc s THR 72 Ca 0.07 -0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.98 2itc s THR 72 Cb -0.08 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 2itc s THR 72 CO 0.04 0.12 0.03 -0.22 -0.69 0.00 0.00 174.62 173.90 2itc s LEU 73 N 0.55 3.33 0.06 4.42 2.96 -0.56 -0.75 118.68 128.70 2itc s LEU 73 Ca -0.06 -0.21 0.09 0.00 -0.22 0.00 0.00 54.13 53.74 2itc s LEU 73 Cb -0.09 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2itc s LEU 73 CO -0.01 0.01 -0.26 -0.44 -1.32 0.00 0.00 176.35 174.34 2itc s SER 74 N 1.31 3.27 -0.17 3.68 0.01 0.26 -0.66 113.70 121.39 2itc s SER 74 Ca 0.04 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2itc s SER 74 Cb -0.15 -0.31 0.03 0.00 0.21 0.00 0.00 66.02 65.80 2itc s SER 74 CO 0.02 0.24 -0.13 -0.63 0.41 0.00 0.00 173.24 173.16 2itc s ILE 75 N -0.87 1.64 -0.28 1.44 1.01 -0.36 -0.80 121.20 122.98 2itc s ILE 75 Ca 0.13 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.73 2itc s ILE 75 Cb -0.10 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 2itc s ILE 75 CO 0.03 0.34 0.75 0.20 0.00 0.00 0.00 174.94 176.26 2itc s ASN 76 N 1.43 6.67 -0.30 3.58 -0.87 -0.31 -1.43 114.94 123.71 2itc s ASN 76 Ca 0.02 0.73 -0.04 0.00 -1.57 0.00 0.00 52.86 52.01 2itc s ASN 76 Cb -0.14 -2.39 0.00 0.00 -0.02 0.00 0.00 41.25 38.70 2itc s ASN 76 CO -0.10 -0.53 0.15 -0.24 -2.57 0.00 0.00 177.10 173.81 2itc n SER 77 N 6.02 -7.34 -4.77 -1.22 2.88 -1.18 -4.86 113.62 103.16 2itc n SER 77 Ca 0.03 1.05 -0.35 0.00 -1.33 0.00 0.00 58.87 58.27 2itc n SER 77 Cb 0.48 -4.87 -0.00 0.00 -0.75 0.00 0.00 64.21 59.07 2itc n SER 77 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2itc s VAL 78 N -1.72 3.20 0.03 2.46 1.01 -0.26 -4.66 120.40 120.46 2itc s VAL 78 Ca 0.06 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.76 2itc s VAL 78 Cb -0.02 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2itc s VAL 78 CO 0.69 -0.14 0.07 -1.83 0.00 0.00 0.00 175.10 173.89 2itc s GLU 79 N -3.20 0.54 0.23 2.72 -1.05 -1.26 -0.75 118.70 115.93 2itc s GLU 79 Ca 0.71 -0.73 0.01 0.00 -0.15 0.00 0.00 54.97 54.81 2itc s GLU 79 Cb -0.24 0.21 0.56 0.00 -0.44 0.00 0.00 34.13 34.22 2itc s GLU 79 CO 0.27 -0.13 1.15 0.43 0.95 0.00 0.00 175.26 177.94 2itc n SER 80 N 0.90 -0.09 0.09 0.83 7.64 -1.26 0.63 113.62 122.36 2itc n SER 80 Ca -0.20 1.25 0.06 0.00 1.01 0.00 0.00 58.87 61.00 2itc n SER 80 Cb 0.58 -0.45 0.33 0.00 -1.01 0.00 0.00 64.21 63.66 2itc n SER 80 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2itc n GLU 81 N -5.02 0.08 0.00 1.43 0.28 -0.92 -0.89 120.64 115.60 2itc n GLU 81 Ca 0.17 0.58 0.14 0.00 -0.16 0.00 0.00 57.16 57.88 2itc n GLU 81 Cb 0.56 -1.76 0.53 0.00 1.43 0.00 0.00 31.44 32.20 2itc n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2itc n ASP 82 N -1.92 0.32 -4.64 -1.84 8.00 0.21 -4.81 116.55 111.87 2itc n ASP 82 Ca -0.01 -0.15 -0.43 0.00 0.71 0.00 0.00 54.79 54.91 2itc n ASP 82 Cb 0.02 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 2itc n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2itc s ILE 83 N -2.77 3.76 0.00 0.53 1.01 -0.07 -4.82 121.20 118.86 2itc s ILE 83 Ca 0.20 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.73 2itc s ILE 83 Cb 0.19 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2itc s ILE 83 CO 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 174.94 175.22 2itc n ALA 84 N 8.05 0.00 -2.70 9.38 0.00 -1.25 -4.75 120.51 129.24 2itc n ALA 84 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 2itc n ALA 84 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 2itc n ALA 84 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2itc s ASN 85 N -0.22 5.26 -0.12 0.00 0.02 0.04 -1.11 114.94 118.81 2itc s ASN 85 Ca 0.00 0.10 0.02 0.00 -1.02 0.00 0.00 52.86 51.96 2itc s ASN 85 Cb 0.00 -1.45 0.01 0.00 0.02 0.00 0.00 41.25 39.83 2itc s ASN 85 CO 0.00 0.33 -0.18 -0.31 0.02 0.00 0.00 177.10 176.96 2itc s TYR 86 N -0.99 2.26 0.12 2.20 1.51 0.16 -1.10 117.35 121.51 2itc s TYR 86 Ca 0.17 -1.09 0.10 0.00 -1.01 0.00 0.00 57.07 55.24 2itc s TYR 86 Cb -0.11 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 2itc s TYR 86 CO 0.06 -0.52 -0.22 0.71 -1.11 0.00 0.00 175.55 174.47 2itc s TYR 87 N 0.88 2.43 0.10 2.71 1.51 -0.57 -1.59 117.35 122.83 2itc s TYR 87 Ca -0.08 -0.32 0.07 0.00 -1.01 0.00 0.00 57.07 55.74 2itc s TYR 87 Cb -0.15 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 2itc s TYR 87 CO -0.01 0.35 -0.12 0.00 -1.11 0.00 0.00 175.55 174.66 2itc s GLN 89 N -2.10 -0.00 0.01 0.00 -0.44 0.41 0.12 119.66 117.65 2itc s GLN 89 Ca 0.20 0.21 -0.00 0.00 -2.50 0.00 0.00 55.36 53.26 2itc s GLN 89 Cb -0.11 -0.20 -0.04 0.00 -1.64 0.00 0.00 33.01 31.02 2itc s GLN 89 CO 0.12 -0.15 0.10 1.14 0.50 0.00 0.00 175.29 177.00 2itc s GLN 90 N 0.95 3.10 -0.08 1.67 1.03 -0.53 -0.58 119.66 125.22 2itc s GLN 90 Ca -0.08 -0.49 0.13 0.00 0.04 0.00 0.00 55.36 54.96 2itc s GLN 90 Cb -0.11 -2.88 0.26 0.00 0.03 0.00 0.00 33.01 30.31 2itc s GLN 90 CO -0.03 0.64 1.12 -1.13 -2.54 0.00 0.00 175.29 173.35 2itc n SER 91 N 1.00 1.24 0.10 12.60 3.41 -0.79 -2.77 113.62 128.42 2itc n SER 91 Ca -0.12 -2.71 -0.23 0.00 -0.26 0.00 0.00 58.87 55.55 2itc n SER 91 Cb 0.52 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 63.98 2itc n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2itc h ASN 92 N 0.41 0.88 -4.71 4.04 -1.24 -1.86 -3.47 115.58 109.63 2itc h ASN 92 Ca -0.05 -0.84 -0.24 0.00 0.71 0.00 0.00 56.30 55.88 2itc h ASN 92 Cb 1.30 -0.28 -0.18 0.00 0.73 0.00 0.00 38.32 39.90 2itc h ASN 92 CO 0.02 1.64 -0.71 -0.13 -1.29 0.00 0.00 177.43 176.96 2itc s ARG 93 N -2.91 0.68 0.15 6.67 0.52 -1.26 -5.14 118.95 117.67 2itc s ARG 93 Ca -0.09 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 53.77 2itc s ARG 93 Cb 0.05 -0.22 -0.07 0.00 0.52 0.00 0.00 34.95 35.23 2itc s ARG 93 CO 0.94 0.01 0.91 -0.46 0.02 0.00 0.00 175.30 176.71 2itc s TRP 94 N -2.60 3.88 0.39 -0.53 -0.00 -1.26 -3.84 118.94 114.97 2itc s TRP 94 Ca 0.01 1.78 -0.02 0.00 -0.00 0.00 0.00 56.10 57.88 2itc s TRP 94 Cb -0.02 -2.97 -0.04 0.00 -0.00 0.00 0.00 33.47 30.45 2itc s TRP 94 CO -0.03 0.34 0.64 -1.25 -0.00 0.00 0.00 176.95 176.65 2itc s PRO 95 N -0.56 3.52 0.69 5.86 0.04 -1.26 -4.92 135.00 138.37 2itc s PRO 95 Ca 0.43 -0.11 -0.16 0.00 0.04 0.00 0.00 61.00 61.19 2itc s PRO 95 Cb -0.24 -2.56 0.02 0.00 0.04 0.00 0.00 34.50 31.76 2itc s PRO 95 CO 0.29 0.02 1.24 -0.06 0.04 0.00 0.00 177.00 178.54 2itc s PHE 96 N -2.46 2.06 0.07 0.56 2.99 -1.25 -4.71 117.98 115.25 2itc s PHE 96 Ca 0.43 1.55 -0.05 0.00 0.00 0.00 0.00 56.93 58.86 2itc s PHE 96 Cb -0.10 -3.57 -0.02 0.00 0.00 0.00 0.00 43.02 39.33 2itc s PHE 96 CO 0.39 -2.74 0.09 0.95 -0.00 0.00 0.00 175.22 173.91 2itc s THR 97 N -1.71 0.18 0.25 0.64 -4.23 -1.11 -4.99 115.64 104.66 2itc s THR 97 Ca 0.78 -1.47 0.11 0.00 -1.18 0.00 0.00 61.69 59.94 2itc s THR 97 Cb -0.33 -1.43 -0.05 0.00 1.34 0.00 0.00 72.50 72.04 2itc s THR 97 CO 0.42 -0.81 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.15 2itc s PHE 98 N -3.89 2.35 0.88 3.99 0.08 -1.26 -1.46 117.98 118.67 2itc s PHE 98 Ca 0.06 -0.32 -0.13 0.00 0.12 0.00 0.00 56.93 56.66 2itc s PHE 98 Cb 0.06 -1.06 0.12 0.00 -0.57 0.00 0.00 43.02 41.57 2itc s PHE 98 CO -0.10 0.64 1.17 0.20 -0.10 0.00 0.00 175.22 177.03 2itc s GLY 99 N -3.28 1.60 0.00 4.36 0.00 0.32 -4.54 107.32 105.77 2itc s GLY 99 Ca 0.28 -0.64 0.29 0.00 0.00 0.00 0.00 44.72 44.64 2itc s GLY 99 CO 0.14 -0.09 1.89 -1.14 0.00 0.00 0.00 173.10 173.90 2itc n SER 100 N -3.59 0.22 0.00 1.64 3.41 -1.25 -4.75 113.62 109.29 2itc n SER 100 Ca 0.08 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2itc n SER 100 Cb 0.60 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2itc n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2itc n GLY 101 N 1.36 -0.49 2.96 5.00 0.00 -1.26 -5.03 105.19 107.73 2itc n GLY 101 Ca 0.12 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 2itc n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2itc s THR 102 N -3.02 -0.03 -0.22 2.61 2.01 -0.62 -4.67 115.64 111.70 2itc s THR 102 Ca 0.00 0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 2itc s THR 102 Cb 0.00 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 2itc s THR 102 CO 0.00 0.05 0.12 -0.75 -0.69 0.00 0.00 174.62 173.36 2itc s LYS 103 N 0.88 4.06 -0.14 4.92 2.47 -0.45 0.38 119.74 131.86 2itc s LYS 103 Ca -0.07 -0.28 -0.21 0.00 -1.56 0.00 0.00 55.97 53.85 2itc s LYS 103 Cb -0.09 -3.42 -0.03 0.00 -1.46 0.00 0.00 37.83 32.83 2itc s LYS 103 CO -0.05 0.16 0.61 -1.17 0.16 0.00 0.00 175.35 175.07 2itc s LEU 104 N 0.73 4.22 -0.06 5.43 2.96 -0.27 -0.80 118.68 130.89 2itc s LEU 104 Ca 0.07 0.93 0.04 0.00 -0.22 0.00 0.00 54.13 54.94 2itc s LEU 104 Cb -0.13 -2.90 -0.00 0.00 0.50 0.00 0.00 46.19 43.67 2itc s LEU 104 CO 0.02 -0.17 -0.19 -0.70 -1.32 0.00 0.00 176.35 173.99 2itc s GLU 105 N 1.30 2.21 -0.13 1.98 2.12 0.47 -3.92 118.70 122.73 2itc s GLU 105 Ca 0.30 -0.68 -0.04 0.00 0.36 0.00 0.00 54.97 54.91 2itc s GLU 105 Cb -0.16 -1.81 -0.03 0.00 0.26 0.00 0.00 34.13 32.39 2itc s GLU 105 CO 0.12 0.20 0.01 0.42 -0.54 0.00 0.00 175.26 175.47 2itc s ILE 106 N 0.22 4.33 -0.58 -3.70 1.01 -1.26 -0.79 121.20 120.43 2itc s ILE 106 Ca -0.10 -0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 2itc s ILE 106 Cb -0.14 -2.87 0.14 0.00 0.01 0.00 0.00 42.46 39.59 2itc s ILE 106 CO 0.04 0.54 0.53 -0.54 0.00 0.00 0.00 174.94 175.52 2itc s LYS 107 N -0.24 3.07 0.34 2.79 1.02 0.41 -4.91 119.74 122.21 2itc s LYS 107 Ca 0.06 -1.81 0.06 0.00 0.02 0.00 0.00 55.97 54.30 2itc s LYS 107 Cb -0.12 -4.31 0.06 0.00 -0.52 0.00 0.00 37.83 32.93 2itc s LYS 107 CO 0.02 -1.32 0.47 2.89 -0.92 0.00 0.00 175.35 176.49 2itc n ARG 108 N 5.08 0.75 -1.87 1.68 1.85 -1.26 -4.26 116.66 118.63 2itc n ARG 108 Ca -0.10 -1.82 -0.33 0.00 -1.00 0.00 0.00 57.85 54.60 2itc n ARG 108 Cb 0.41 -0.15 0.03 0.00 -1.05 0.00 0.00 32.46 31.71 2itc n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2itc s ALA 109 N -2.42 2.56 0.56 2.89 0.00 -1.26 -4.98 121.76 119.11 2itc s ALA 109 Ca 0.36 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.64 2itc s ALA 109 Cb -0.03 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2itc s ALA 109 CO 0.23 -1.11 1.26 -0.51 0.00 0.00 0.00 175.76 175.62 2itc s ASP 110 N -2.57 5.33 -0.11 0.00 1.01 -1.26 -4.81 116.67 114.26 2itc s ASP 110 Ca 0.66 2.52 -0.05 0.00 0.71 0.00 0.00 52.55 56.39 2itc s ASP 110 Cb -0.20 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.17 2itc s ASP 110 CO 0.39 -1.50 0.24 0.00 0.21 0.00 0.00 175.17 174.50 2itc s ALA 111 N -1.47 -0.49 0.24 5.23 0.00 0.69 -4.90 121.76 121.05 2itc s ALA 111 Ca 0.74 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 53.30 2itc s ALA 111 Cb -0.34 -0.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.90 2itc s ALA 111 CO 0.39 -0.41 1.18 0.00 0.00 0.00 0.00 175.76 176.91 2itc s ALA 112 N 1.84 3.43 0.68 0.00 0.00 -1.26 -0.60 121.76 125.85 2itc s ALA 112 Ca -0.04 0.97 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 2itc s ALA 112 Cb -0.11 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2itc s ALA 112 CO -0.08 -0.33 1.28 -1.25 0.00 0.00 0.00 175.76 175.38 2itc s PRO 113 N -0.85 2.34 -0.53 0.00 0.04 -1.26 -4.65 135.00 130.09 2itc s PRO 113 Ca 0.49 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.44 2itc s PRO 113 Cb -0.33 -1.83 0.14 0.00 0.04 0.00 0.00 34.50 32.52 2itc s PRO 113 CO 0.40 -1.74 0.43 0.99 0.04 0.00 0.00 177.00 177.12 2itc s THR 114 N -1.55 4.52 0.35 1.26 2.01 -0.15 -4.88 115.64 117.20 2itc s THR 114 Ca 0.81 -1.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.71 2itc s THR 114 Cb -0.36 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.12 2itc s THR 114 CO 0.42 -0.83 0.87 -0.69 -0.69 0.00 0.00 174.62 173.70 2itc s VAL 115 N 1.18 4.43 -0.19 3.82 1.01 -1.25 -2.55 120.40 126.84 2itc s VAL 115 Ca 0.07 1.43 -0.09 0.00 0.00 0.00 0.00 61.98 63.39 2itc s VAL 115 Cb -0.25 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.46 2itc s VAL 115 CO -0.01 -0.10 0.44 -0.44 0.00 0.00 0.00 175.10 175.00 2itc s SER 116 N -1.98 -0.47 -0.05 3.32 0.01 -0.53 -4.98 113.70 109.02 2itc s SER 116 Ca 0.54 1.00 0.02 0.00 1.31 0.00 0.00 55.95 58.82 2itc s SER 116 Cb -0.13 1.07 -0.03 0.00 0.21 0.00 0.00 66.02 67.14 2itc s SER 116 CO 0.18 -0.21 -0.09 -0.51 0.41 0.00 0.00 173.24 173.01 2itc s ILE 117 N 1.91 3.49 -0.06 1.44 2.07 -1.26 -0.31 121.20 128.48 2itc s ILE 117 Ca -0.07 -0.60 0.03 0.00 -1.41 0.00 0.00 60.65 58.60 2itc s ILE 117 Cb -0.10 -2.42 0.01 0.00 0.13 0.00 0.00 42.46 40.08 2itc s ILE 117 CO -0.13 0.57 -0.13 -0.36 -1.91 0.00 0.00 174.94 172.97 2itc s PHE 118 N -0.81 1.52 0.38 3.50 0.40 0.12 -5.00 117.98 118.09 2itc s PHE 118 Ca 0.13 -0.54 -0.24 0.00 -0.60 0.00 0.00 56.93 55.68 2itc s PHE 118 Cb -0.11 -1.09 -0.10 0.00 0.51 0.00 0.00 43.02 42.23 2itc s PHE 118 CO 0.02 -0.25 0.99 -2.14 0.70 0.00 0.00 175.22 174.54 2itc s PRO 119 N 0.51 4.33 0.59 0.24 0.02 -1.26 -2.35 135.00 137.08 2itc s PRO 119 Ca -0.12 1.37 -0.19 0.00 0.02 0.00 0.00 61.00 62.08 2itc s PRO 119 Cb -0.15 -2.57 -0.05 0.00 0.02 0.00 0.00 34.50 31.76 2itc s PRO 119 CO 0.04 0.03 0.96 -0.35 -0.33 0.00 0.00 177.00 177.35 2itc n PRO 120 N 0.05 0.92 -2.09 5.54 -0.04 -1.21 -4.91 135.00 133.26 2itc n PRO 120 Ca 0.04 0.35 -0.32 0.00 -0.04 0.00 0.00 63.50 63.53 2itc n PRO 120 Cb 0.51 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 2itc n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2itc s SER 121 N -1.22 6.01 0.34 3.54 1.04 -1.26 -4.92 113.70 117.23 2itc s SER 121 Ca 0.75 1.70 0.07 0.00 0.48 0.00 0.00 55.95 58.95 2itc s SER 121 Cb -0.42 -2.52 0.63 0.00 0.10 0.00 0.00 66.02 63.81 2itc s SER 121 CO 0.48 -1.01 1.83 0.77 0.98 0.00 0.00 173.24 176.28 2itc h SER 122 N 0.41 0.29 -0.36 7.02 4.64 -1.99 -1.56 113.55 121.99 2itc h SER 122 Ca -0.46 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 60.73 2itc h SER 122 Cb 1.21 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2itc h SER 122 CO 0.59 0.51 0.07 -0.33 -0.87 0.00 0.00 176.83 176.80 2itc h GLU 123 N 0.27 0.68 -0.01 4.77 3.07 -1.99 -1.83 114.58 119.54 2itc h GLU 123 Ca 0.05 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 58.69 2itc h GLU 123 Cb 0.53 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 2itc h GLU 123 CO 0.04 0.65 -0.28 0.37 -1.40 0.00 0.00 179.01 178.38 2itc h GLN 124 N 0.66 0.20 -1.00 2.33 4.15 -1.74 -3.22 115.11 116.49 2itc h GLN 124 Ca 0.14 -0.21 0.18 0.00 0.77 0.00 0.00 58.65 59.53 2itc h GLN 124 Cb 0.30 0.06 -0.10 0.00 0.21 0.00 0.00 27.48 27.95 2itc h GLN 124 CO 0.00 0.93 0.62 -0.07 -1.93 0.00 0.00 178.83 178.38 2itc h LEU 125 N -0.45 0.78 -2.13 -2.39 3.38 -1.14 0.48 115.31 113.85 2itc h LEU 125 Ca -0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2itc h LEU 125 Cb 1.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2itc h LEU 125 CO 0.06 0.31 0.14 0.74 0.09 0.00 0.00 178.44 179.78 2itc h THR 126 N 0.78 0.00 -0.61 0.22 2.02 -1.34 0.11 112.91 114.08 2itc h THR 126 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.74 2itc h THR 126 Cb 0.85 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2itc h THR 126 CO -0.34 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.01 2itc n SER 127 N -2.74 3.69 -0.05 4.18 3.41 0.17 -4.94 113.62 117.33 2itc n SER 127 Ca -0.02 -1.99 -0.01 0.00 -0.26 0.00 0.00 58.87 56.59 2itc n SER 127 Cb 0.19 -0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2itc n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2itc n GLY 128 N 1.41 0.42 3.16 5.00 0.00 0.37 -5.05 105.19 110.51 2itc n GLY 128 Ca 0.21 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 2itc n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2itc s GLY 129 N -2.99 0.80 -0.16 -0.02 0.00 -1.21 -2.97 107.32 100.78 2itc s GLY 129 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 44.72 43.54 2itc s GLY 129 CO 0.00 -1.20 0.24 0.00 0.00 0.00 0.00 173.10 172.14 2itc s ALA 130 N -2.31 -0.43 -0.16 3.20 0.00 0.27 -2.84 121.76 119.49 2itc s ALA 130 Ca 0.03 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2itc s ALA 130 Cb -0.04 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.94 2itc s ALA 130 CO -0.00 -0.88 -0.15 -1.12 0.00 0.00 0.00 175.76 173.61 2itc s SER 131 N 2.38 3.67 -0.39 0.00 0.01 -1.26 -0.04 113.70 118.06 2itc s SER 131 Ca 0.04 -0.47 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 2itc s SER 131 Cb -0.14 -1.57 0.03 0.00 0.21 0.00 0.00 66.02 64.55 2itc s SER 131 CO -0.10 0.08 0.25 -0.69 0.41 0.00 0.00 173.24 173.19 2itc s VAL 132 N 0.82 4.87 -0.11 3.43 1.01 0.67 -3.31 120.40 127.79 2itc s VAL 132 Ca -0.05 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 2itc s VAL 132 Cb -0.15 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2itc s VAL 132 CO -0.00 -0.28 0.20 -0.69 0.00 0.00 0.00 175.10 174.33 2itc s VAL 133 N 1.61 5.39 -0.07 2.92 1.01 -0.99 -1.80 120.40 128.47 2itc s VAL 133 Ca 0.03 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.38 2itc s VAL 133 Cb -0.19 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2itc s VAL 133 CO 0.08 0.57 -0.09 0.00 0.00 0.00 0.00 175.10 175.66 2itc s PHE 135 N 1.01 3.08 -0.61 0.00 0.08 0.58 -1.63 117.98 120.49 2itc s PHE 135 Ca -0.09 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 2itc s PHE 135 Cb -0.15 -1.99 0.16 0.00 -0.57 0.00 0.00 43.02 40.47 2itc s PHE 135 CO -0.00 0.01 0.41 -0.51 -0.10 0.00 0.00 175.22 175.03 2itc s LEU 136 N 0.37 5.00 0.15 -0.37 2.01 0.11 -1.45 118.68 124.49 2itc s LEU 136 Ca -0.02 -2.95 0.05 0.00 0.01 0.00 0.00 54.13 51.21 2itc s LEU 136 Cb -0.14 -1.80 -0.04 0.00 0.01 0.00 0.00 46.19 44.23 2itc s LEU 136 CO 0.02 -0.32 0.13 0.20 1.01 0.00 0.00 176.35 177.39 2itc s ASN 137 N 0.36 5.53 -1.31 2.29 0.02 -1.06 -0.38 114.94 120.40 2itc s ASN 137 Ca 0.17 -0.10 -0.13 0.00 -1.02 0.00 0.00 52.86 51.78 2itc s ASN 137 Cb -0.21 -1.46 0.01 0.00 0.02 0.00 0.00 41.25 39.61 2itc s ASN 137 CO -0.03 0.09 0.52 0.59 0.02 0.00 0.00 177.10 178.29 2itc n ASN 138 N -0.18 -2.34 -4.76 -1.22 3.02 -0.50 -0.98 115.26 108.31 2itc n ASN 138 Ca -0.08 -1.11 -0.24 0.00 -0.03 0.00 0.00 54.58 53.12 2itc n ASN 138 Cb 0.54 -2.65 -0.06 0.00 -0.61 0.00 0.00 39.78 36.99 2itc n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2itc s PHE 139 N -3.79 2.65 -0.28 3.10 -0.12 -0.02 -4.66 117.98 114.85 2itc s PHE 139 Ca 0.24 -0.52 -0.21 0.00 -0.05 0.00 0.00 56.93 56.39 2itc s PHE 139 Cb -0.10 -1.92 0.13 0.00 -0.63 0.00 0.00 43.02 40.49 2itc s PHE 139 CO 0.91 0.17 0.98 -0.47 -0.05 0.00 0.00 175.22 176.77 2itc s TYR 140 N -2.54 -0.56 1.30 3.49 6.14 0.23 -0.70 117.35 124.72 2itc s TYR 140 Ca 0.42 1.22 -0.17 0.00 0.64 0.00 0.00 57.07 59.18 2itc s TYR 140 Cb 0.01 0.37 0.33 0.00 0.42 0.00 0.00 41.96 43.10 2itc s TYR 140 CO 0.23 -0.27 0.97 -1.25 0.64 0.00 0.00 175.55 175.87 2itc s PRO 141 N 0.78 -1.98 0.01 4.97 0.04 -1.26 -0.23 135.00 137.34 2itc s PRO 141 Ca -0.03 0.60 0.24 0.00 0.04 0.00 0.00 61.00 61.85 2itc s PRO 141 Cb -0.04 -1.45 1.04 0.00 0.04 0.00 0.00 34.50 34.08 2itc s PRO 141 CO -0.11 -4.36 1.78 0.36 0.04 0.00 0.00 177.00 174.71 2itc n LYS 142 N -5.34 0.01 -2.12 4.56 2.85 -1.26 -4.75 118.16 112.12 2itc n LYS 142 Ca 0.06 0.09 -0.43 0.00 -1.05 0.00 0.00 58.31 56.98 2itc n LYS 142 Cb 0.56 -1.52 -0.03 0.00 -0.65 0.00 0.00 35.03 33.40 2itc n LYS 142 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2itc s ASP 143 N -3.07 6.51 -0.03 -5.58 1.01 -1.26 -4.95 116.67 109.29 2itc s ASP 143 Ca 0.12 1.78 -0.25 0.00 0.71 0.00 0.00 52.55 54.90 2itc s ASP 143 Cb 0.16 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.61 2itc s ASP 143 CO 0.45 -1.13 0.55 -0.51 0.21 0.00 0.00 175.17 174.74 2itc s ILE 144 N 4.74 0.02 -0.04 0.77 2.07 -1.26 -4.54 121.20 122.96 2itc s ILE 144 Ca 0.70 -0.18 0.05 0.00 -1.41 0.00 0.00 60.65 59.82 2itc s ILE 144 Cb -0.27 -0.88 -0.01 0.00 0.13 0.00 0.00 42.46 41.44 2itc s ILE 144 CO 0.28 -0.10 -0.20 0.20 -1.91 0.00 0.00 174.94 173.21 2itc s ASN 145 N -1.33 2.44 -0.04 4.50 0.01 -0.84 -5.01 114.94 114.67 2itc s ASN 145 Ca -0.11 -0.40 0.07 0.00 -0.71 0.00 0.00 52.86 51.71 2itc s ASN 145 Cb -0.02 -0.60 -0.02 0.00 0.41 0.00 0.00 41.25 41.03 2itc s ASN 145 CO 0.07 0.20 -0.26 0.54 -1.51 0.00 0.00 177.10 176.14 2itc s VAL 146 N -0.11 2.04 -0.02 1.60 0.11 -1.26 -0.44 120.40 122.32 2itc s VAL 146 Ca -0.02 -1.09 0.04 0.00 -2.93 0.00 0.00 61.98 57.98 2itc s VAL 146 Cb -0.11 -1.71 -0.01 0.00 -1.53 0.00 0.00 36.38 33.02 2itc s VAL 146 CO 0.02 0.57 -0.13 -0.75 -3.33 0.00 0.00 175.10 171.49 2itc s LYS 147 N -0.42 1.11 -0.03 1.54 2.20 0.36 -4.97 119.74 119.54 2itc s LYS 147 Ca 0.04 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 2itc s LYS 147 Cb -0.12 -1.05 -0.04 0.00 -1.51 0.00 0.00 37.83 35.12 2itc s LYS 147 CO 0.01 0.24 0.02 -1.58 -0.36 0.00 0.00 175.35 173.68 2itc s TRP 148 N -0.16 3.15 -0.04 4.03 0.52 -1.26 -0.48 118.94 124.70 2itc s TRP 148 Ca 0.02 0.14 -0.01 0.00 0.02 0.00 0.00 56.10 56.27 2itc s TRP 148 Cb -0.06 -1.72 0.03 0.00 -1.15 0.00 0.00 33.47 30.57 2itc s TRP 148 CO -0.00 0.48 0.06 0.15 0.02 0.00 0.00 176.95 177.66 2itc s LYS 149 N -1.38 -0.04 -0.25 4.98 1.02 -0.51 0.37 119.74 123.93 2itc s LYS 149 Ca 0.18 0.31 -0.04 0.00 0.02 0.00 0.00 55.97 56.44 2itc s LYS 149 Cb -0.12 -0.36 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 2itc s LYS 149 CO 0.08 -0.25 -0.00 0.42 -0.92 0.00 0.00 175.35 174.68 2itc s ILE 150 N 1.64 3.50 -1.39 2.17 1.01 0.19 -0.61 121.20 127.71 2itc s ILE 150 Ca -0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 2itc s ILE 150 Cb -0.12 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.68 2itc s ILE 150 CO -0.03 0.27 1.08 0.47 0.00 0.00 0.00 174.94 176.73 2itc n ASP 151 N 4.80 -5.12 0.00 3.58 8.00 0.02 -1.81 116.55 126.02 2itc n ASP 151 Ca -0.17 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.69 2itc n ASP 151 Cb 0.49 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 2itc n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2itc n GLY 152 N -1.80 1.79 3.37 0.44 0.00 -1.26 -5.02 105.19 102.72 2itc n GLY 152 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2itc n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2itc s SER 153 N -3.39 4.37 0.18 1.61 0.01 -0.75 -5.04 113.70 110.69 2itc s SER 153 Ca 0.00 -0.31 -0.33 0.00 1.31 0.00 0.00 55.95 56.62 2itc s SER 153 Cb 0.00 -1.72 -0.15 0.00 0.21 0.00 0.00 66.02 64.35 2itc s SER 153 CO 0.00 0.07 1.21 1.21 0.41 0.00 0.00 173.24 176.14 2itc n GLU 154 N 4.20 1.32 -4.99 12.44 2.13 -1.26 -0.64 120.64 133.85 2itc n GLU 154 Ca -0.18 0.47 -0.29 0.00 0.66 0.00 0.00 57.16 57.82 2itc n GLU 154 Cb 0.52 -2.00 -0.15 0.00 0.27 0.00 0.00 31.44 30.07 2itc n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2itc s ARG 155 N -0.35 1.77 0.00 5.31 6.06 0.16 -4.81 118.95 127.09 2itc s ARG 155 Ca 0.73 -0.95 0.00 0.00 -2.50 0.00 0.00 55.73 53.01 2itc s ARG 155 Cb -0.82 -1.82 0.00 0.00 0.06 0.00 0.00 34.95 32.37 2itc s ARG 155 CO 0.51 0.48 0.00 1.04 -2.50 0.00 0.00 175.30 174.84 2itc n GLN 156 N 2.15 1.01 -2.24 5.12 6.02 -1.26 -4.12 117.38 124.06 2itc n GLN 156 Ca -0.16 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.45 2itc n GLN 156 Cb 0.52 -0.82 -0.01 0.00 1.02 0.00 0.00 30.24 30.94 2itc n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2itc s ASN 157 N -3.12 6.38 -0.03 1.08 -0.87 -1.26 -3.22 114.94 113.90 2itc s ASN 157 Ca 0.00 2.39 0.00 0.00 -1.57 0.00 0.00 52.86 53.68 2itc s ASN 157 Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 2itc s ASN 157 CO 0.00 -0.78 0.00 0.61 -2.57 0.00 0.00 177.10 174.36 2itc n GLY 158 N 0.60 0.47 3.54 0.66 0.00 -1.26 -4.86 105.19 104.33 2itc n GLY 158 Ca 0.05 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 2itc n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2itc s VAL 159 N -1.96 4.49 -0.09 1.61 1.01 -1.20 -0.90 120.40 123.36 2itc s VAL 159 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2itc s VAL 159 Cb 0.00 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.34 2itc s VAL 159 CO 0.00 0.41 -0.14 -0.76 0.00 0.00 0.00 175.10 174.60 2itc s LEU 160 N 0.93 1.69 0.21 3.92 1.43 -0.17 -4.95 118.68 121.73 2itc s LEU 160 Ca 0.03 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2itc s LEU 160 Cb -0.14 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2itc s LEU 160 CO 0.03 0.03 0.09 0.20 0.23 0.00 0.00 176.35 176.92 2itc s ASN 161 N 0.85 5.14 -0.13 2.29 0.01 -1.26 0.12 114.94 121.95 2itc s ASN 161 Ca -0.10 -0.33 -0.07 0.00 -0.71 0.00 0.00 52.86 51.65 2itc s ASN 161 Cb -0.15 -1.21 0.05 0.00 0.41 0.00 0.00 41.25 40.35 2itc s ASN 161 CO 0.01 0.03 0.31 -0.55 -1.51 0.00 0.00 177.10 175.39 2itc s SER 162 N -3.38 -0.35 0.02 -1.22 0.15 0.39 -4.98 113.70 104.34 2itc s SER 162 Ca 0.31 0.67 0.03 0.00 0.70 0.00 0.00 55.95 57.66 2itc s SER 162 Cb -0.09 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 2itc s SER 162 CO 0.22 -0.18 -0.05 0.26 1.20 0.00 0.00 173.24 174.69 2itc s TRP 163 N 1.35 2.92 0.40 3.44 0.51 -1.26 -0.56 118.94 125.74 2itc s TRP 163 Ca -0.09 -0.03 0.01 0.00 -2.12 0.00 0.00 56.10 53.87 2itc s TRP 163 Cb -0.10 -1.59 -0.01 0.00 -0.81 0.00 0.00 33.47 30.96 2itc s TRP 163 CO -0.10 0.41 0.61 0.95 -0.51 0.00 0.00 176.95 178.31 2itc s THR 164 N -1.08 4.36 0.69 2.01 -4.23 -0.45 -5.01 115.64 111.93 2itc s THR 164 Ca 0.19 -0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 60.06 2itc s THR 164 Cb -0.11 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.15 2itc s THR 164 CO 0.10 -0.39 1.05 -1.81 -0.54 0.00 0.00 174.62 173.04 2itc s ASP 165 N -4.15 5.35 0.35 3.99 1.11 -1.26 -4.60 116.67 117.45 2itc s ASP 165 Ca 0.45 0.95 -0.26 0.00 0.18 0.00 0.00 52.55 53.88 2itc s ASP 165 Cb -0.10 -1.76 -0.13 0.00 1.07 0.00 0.00 42.92 42.00 2itc s ASP 165 CO 0.36 -1.34 0.88 1.67 1.18 0.00 0.00 175.17 177.93 2itc n GLN 166 N -2.93 1.11 -3.03 8.23 7.27 -1.26 -4.79 117.38 121.98 2itc n GLN 166 Ca 0.06 0.39 -0.40 0.00 0.07 0.00 0.00 57.00 57.13 2itc n GLN 166 Cb 0.58 -1.78 -0.05 0.00 2.41 0.00 0.00 30.24 31.40 2itc n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2itc s ASP 167 N -0.72 7.03 0.00 1.69 2.15 0.30 -4.94 116.67 122.18 2itc s ASP 167 Ca 0.61 1.24 0.15 0.00 0.43 0.00 0.00 52.55 54.98 2itc s ASP 167 Cb -0.65 -2.42 0.88 0.00 -0.30 0.00 0.00 42.92 40.42 2itc s ASP 167 CO 0.58 -0.10 1.46 -1.54 -0.17 0.00 0.00 175.17 175.41 2itc n SER 168 N 3.62 0.00 -0.12 -0.34 3.41 -1.26 -0.42 113.62 118.52 2itc n SER 168 Ca -0.01 -1.26 -0.25 0.00 -0.26 0.00 0.00 58.87 57.09 2itc n SER 168 Cb 0.51 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 2itc n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2itc n LYS 169 N -0.77 0.62 -0.01 4.33 4.76 -1.26 -2.16 118.16 123.67 2itc n LYS 169 Ca 0.11 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2itc n LYS 169 Cb 0.05 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 2itc n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2itc n ASP 170 N -3.94 0.48 -1.08 4.39 5.75 -1.22 -4.79 116.55 116.14 2itc n ASP 170 Ca -0.46 -1.26 -0.14 0.00 -0.01 0.00 0.00 54.79 52.92 2itc n ASP 170 Cb 0.90 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.93 2itc n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2itc n SER 171 N -0.13 -4.60 -4.09 -1.12 7.64 0.44 -5.00 113.62 106.77 2itc n SER 171 Ca 0.00 0.31 -0.17 0.00 1.01 0.00 0.00 58.87 60.02 2itc n SER 171 Cb 0.44 -3.34 0.02 0.00 -1.01 0.00 0.00 64.21 60.32 2itc n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2itc n THR 172 N -2.72 0.00 -4.40 0.44 -2.24 -1.26 -4.70 114.28 99.40 2itc n THR 172 Ca -0.14 -1.52 -0.20 0.00 -2.27 0.00 0.00 64.05 59.92 2itc n THR 172 Cb 0.46 -0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.26 2itc n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2itc s TYR 173 N -1.86 1.84 0.03 4.78 1.51 0.12 -0.54 117.35 123.23 2itc s TYR 173 Ca 0.30 -0.78 -0.12 0.00 -1.01 0.00 0.00 57.07 55.47 2itc s TYR 173 Cb -0.02 -1.06 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 2itc s TYR 173 CO 0.19 0.17 0.25 -1.12 -1.11 0.00 0.00 175.55 173.94 2itc s SER 174 N -3.40 -0.06 0.01 2.29 0.01 -1.26 -0.84 113.70 110.44 2itc s SER 174 Ca 0.29 -0.22 -0.02 0.00 1.31 0.00 0.00 55.95 57.31 2itc s SER 174 Cb 0.05 0.31 -0.01 0.00 0.21 0.00 0.00 66.02 66.58 2itc s SER 174 CO 0.11 -0.55 0.03 -0.32 0.41 0.00 0.00 173.24 172.92 2itc s MET 175 N -2.29 0.34 -0.02 12.44 0.00 0.49 -1.34 119.30 128.93 2itc s MET 175 Ca -0.07 -0.47 0.06 0.00 0.00 0.00 0.00 55.69 55.21 2itc s MET 175 Cb -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 34.83 34.93 2itc s MET 175 CO -0.02 -0.07 -0.20 -1.54 0.00 0.00 0.00 175.02 173.19 2itc s SER 176 N -1.28 2.36 -0.12 1.11 1.04 0.27 -0.71 113.70 116.38 2itc s SER 176 Ca -0.14 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2itc s SER 176 Cb -0.08 -0.29 0.02 0.00 0.10 0.00 0.00 66.02 65.77 2itc s SER 176 CO -0.00 0.24 -0.11 -0.55 0.98 0.00 0.00 173.24 173.80 2itc s SER 177 N -0.44 2.33 -0.20 7.02 0.15 -0.65 -0.46 113.70 121.45 2itc s SER 177 Ca 0.07 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.35 2itc s SER 177 Cb -0.08 -0.97 0.02 0.00 -1.71 0.00 0.00 66.02 63.28 2itc s SER 177 CO -0.01 -0.07 -0.16 -0.89 1.20 0.00 0.00 173.24 173.31 2itc s THR 178 N 1.45 2.26 -0.44 6.45 2.01 0.12 -1.82 115.64 125.67 2itc s THR 178 Ca 0.02 -1.00 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 2itc s THR 178 Cb -0.13 -2.03 0.06 0.00 0.01 0.00 0.00 72.50 70.40 2itc s THR 178 CO -0.07 0.42 0.34 -0.22 -0.69 0.00 0.00 174.62 174.40 2itc s LEU 179 N 1.28 5.36 -0.18 4.42 2.96 -0.74 -1.00 118.68 130.78 2itc s LEU 179 Ca 0.03 -1.21 -0.07 0.00 -0.22 0.00 0.00 54.13 52.66 2itc s LEU 179 Cb -0.14 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2itc s LEU 179 CO -0.10 -0.56 0.06 -0.89 -1.32 0.00 0.00 176.35 173.53 2itc s THR 180 N 1.62 4.74 0.15 3.68 2.01 -0.08 -0.23 115.64 127.52 2itc s THR 180 Ca 0.04 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.99 2itc s THR 180 Cb -0.22 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2itc s THR 180 CO 0.07 0.47 0.03 -0.76 -0.69 0.00 0.00 174.62 173.75 2itc s LEU 181 N 0.28 1.92 0.63 4.42 1.43 0.94 -4.68 118.68 123.62 2itc s LEU 181 Ca 0.03 -1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 51.82 2itc s LEU 181 Cb -0.12 0.15 -0.03 0.00 0.03 0.00 0.00 46.19 46.22 2itc s LEU 181 CO 0.00 -0.66 1.03 0.42 0.23 0.00 0.00 176.35 177.37 2itc s THR 182 N -3.89 4.47 0.24 5.49 -4.23 -1.26 -0.57 115.64 115.89 2itc s THR 182 Ca 0.24 0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 61.56 2itc s THR 182 Cb 0.07 -3.71 0.21 0.00 1.34 0.00 0.00 72.50 70.41 2itc s THR 182 CO 0.02 -0.99 1.77 0.50 -0.54 0.00 0.00 174.62 175.38 2itc h LYS 183 N -0.26 0.61 0.61 3.99 3.64 -1.78 -0.03 116.57 123.35 2itc h LYS 183 Ca -0.44 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 2itc h LYS 183 Cb 1.20 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2itc h LYS 183 CO 0.60 0.40 -0.42 -0.44 -2.27 0.00 0.00 179.45 177.33 2itc h ASP 184 N 0.63 -1.07 -0.93 4.20 5.19 -1.92 0.26 116.42 122.77 2itc h ASP 184 Ca 0.40 0.07 0.16 0.00 -0.62 0.00 0.00 57.03 57.03 2itc h ASP 184 Cb 0.48 0.33 -0.08 0.00 0.18 0.00 0.00 39.33 40.24 2itc h ASP 184 CO -0.31 -0.63 0.59 -0.08 -3.12 0.00 0.00 179.24 175.70 2itc h GLU 185 N -0.98 0.70 -0.08 3.56 4.57 -1.82 -0.09 114.58 120.44 2itc h GLU 185 Ca -0.07 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 57.90 2itc h GLU 185 Cb 0.81 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2itc h GLU 185 CO 0.05 0.46 -0.66 -0.92 -1.18 0.00 0.00 179.01 176.76 2itc h TYR 186 N 0.72 0.42 0.00 0.92 3.20 -0.58 -3.21 116.97 118.44 2itc h TYR 186 Ca 0.48 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 2itc h TYR 186 Cb 0.77 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2itc h TYR 186 CO -0.00 0.88 -0.15 0.93 -1.64 0.00 0.00 178.16 178.18 2itc h GLU 187 N 0.23 0.00 -1.00 1.82 4.39 0.14 -3.20 114.58 116.96 2itc h GLU 187 Ca -0.02 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.20 2itc h GLU 187 Cb 1.20 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 29.56 2itc h GLU 187 CO 0.11 0.15 0.61 2.89 -1.16 0.00 0.00 179.01 181.61 2itc n ARG 188 N -3.31 2.19 -3.86 2.33 1.85 -0.95 -4.90 116.66 110.01 2itc n ARG 188 Ca 0.00 -2.82 -0.12 0.00 -1.00 0.00 0.00 57.85 53.91 2itc n ARG 188 Cb 0.39 -2.11 -0.12 0.00 -1.05 0.00 0.00 32.46 29.57 2itc n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2itc s HIS 189 N -3.09 -0.04 0.00 2.89 3.76 -1.21 -5.08 115.29 112.51 2itc s HIS 189 Ca 0.53 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 2itc s HIS 189 Cb 0.45 -0.00 0.00 0.00 1.11 0.00 0.00 32.58 34.14 2itc s HIS 189 CO 0.10 -0.12 0.00 -1.71 -0.85 0.00 0.00 174.74 172.16 2itc n ASN 190 N 2.51 0.00 -4.86 1.40 4.05 -1.26 -4.69 115.26 112.41 2itc n ASN 190 Ca -0.16 0.12 -0.35 0.00 0.45 0.00 0.00 54.58 54.65 2itc n ASN 190 Cb 0.58 -0.17 -0.06 0.00 1.23 0.00 0.00 39.78 41.36 2itc n ASN 190 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2itc s SER 191 N -1.77 6.20 -0.08 1.20 1.04 -1.26 -1.20 113.70 117.83 2itc s SER 191 Ca 0.00 0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.82 2itc s SER 191 Cb 0.00 -1.93 -0.00 0.00 0.10 0.00 0.00 66.02 64.19 2itc s SER 191 CO 0.00 0.32 -0.22 -0.31 0.98 0.00 0.00 173.24 174.02 2itc s TYR 192 N -1.18 2.27 0.03 5.02 1.51 -0.77 -0.80 117.35 123.43 2itc s TYR 192 Ca 0.22 -0.85 0.04 0.00 -1.01 0.00 0.00 57.07 55.46 2itc s TYR 192 Cb -0.12 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 2itc s TYR 192 CO 0.12 -0.33 -0.11 0.95 -1.11 0.00 0.00 175.55 175.06 2itc s THR 193 N 0.27 0.86 -0.16 -0.71 -4.23 0.22 -2.26 115.64 109.63 2itc s THR 193 Ca -0.14 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 2itc s THR 193 Cb -0.16 -0.79 0.02 0.00 1.34 0.00 0.00 72.50 72.90 2itc s THR 193 CO 0.06 -0.04 -0.16 0.00 -0.54 0.00 0.00 174.62 173.94 2itc s GLU 195 N 1.39 3.13 -0.19 0.00 2.02 0.37 -1.83 118.70 123.59 2itc s GLU 195 Ca 0.04 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.30 2itc s GLU 195 Cb -0.13 -2.53 -0.00 0.00 0.10 0.00 0.00 34.13 31.57 2itc s GLU 195 CO -0.11 0.31 -0.11 0.00 0.02 0.00 0.00 175.26 175.37 2itc s ALA 196 N 0.09 2.63 -0.29 5.21 0.00 0.43 -0.49 121.76 129.34 2itc s ALA 196 Ca -0.06 -1.12 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 2itc s ALA 196 Cb -0.15 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 2itc s ALA 196 CO 0.05 -0.26 0.12 0.99 0.00 0.00 0.00 175.76 176.66 2itc s THR 197 N 1.18 4.41 0.03 0.00 2.01 0.41 -1.05 115.64 122.64 2itc s THR 197 Ca 0.02 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2itc s THR 197 Cb -0.14 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 2itc s THR 197 CO -0.04 0.13 -0.07 -2.28 -0.69 0.00 0.00 174.62 171.67 2itc s HIS 198 N 1.59 0.60 0.57 4.92 2.46 -1.26 -1.99 115.29 122.18 2itc s HIS 198 Ca 0.05 -0.43 0.39 0.00 0.47 0.00 0.00 55.06 55.53 2itc s HIS 198 Cb -0.17 -0.37 1.49 0.00 -0.13 0.00 0.00 32.58 33.40 2itc s HIS 198 CO 0.05 -0.08 1.62 -0.22 -2.47 0.00 0.00 174.74 173.64 2itc h LYS 199 N 4.75 0.00 0.00 2.88 3.64 -1.94 -0.04 116.57 125.86 2itc h LYS 199 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2itc h LYS 199 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2itc h LYS 199 CO 0.42 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.85 2itc n THR 200 N -3.83 0.80 -3.77 1.00 -2.24 -1.26 -4.78 114.28 100.20 2itc n THR 200 Ca 0.31 0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 62.14 2itc n THR 200 Cb 1.56 -0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 68.73 2itc n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2itc s SER 201 N -3.42 -0.31 0.35 3.42 0.15 -0.03 -4.98 113.70 108.87 2itc s SER 201 Ca 0.07 0.60 0.18 0.00 0.70 0.00 0.00 55.95 57.51 2itc s SER 201 Cb 0.11 0.61 0.52 0.00 -1.71 0.00 0.00 66.02 65.55 2itc s SER 201 CO 0.35 -0.11 1.65 0.71 1.20 0.00 0.00 173.24 177.05 2itc h THR 202 N 4.66 0.85 -3.41 6.45 1.35 -1.86 -3.40 112.91 117.55 2itc h THR 202 Ca -0.26 -1.71 -0.68 0.00 -0.55 0.00 0.00 66.41 63.22 2itc h THR 202 Cb 1.19 2.07 -0.15 0.00 -1.73 0.00 0.00 68.15 69.52 2itc h THR 202 CO 0.32 0.40 -0.64 -0.44 -0.25 0.00 0.00 175.52 174.90 2itc s SER 203 N -6.41 5.07 0.61 5.36 0.01 -1.26 -5.06 113.70 112.01 2itc s SER 203 Ca 0.01 0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.15 2itc s SER 203 Cb 0.10 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.95 2itc s SER 203 CO 0.70 0.34 1.14 -2.16 0.41 0.00 0.00 173.24 173.66 2itc s PRO 204 N -1.15 2.99 -0.28 12.44 0.04 -1.26 -4.86 135.00 142.93 2itc s PRO 204 Ca 0.16 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 2itc s PRO 204 Cb -0.11 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2itc s PRO 204 CO 0.05 -1.13 0.28 0.42 0.04 0.00 0.00 177.00 176.67 2itc s ILE 205 N -1.99 5.24 0.09 0.56 1.01 -0.21 -4.88 121.20 121.02 2itc s ILE 205 Ca 0.71 0.34 0.09 0.00 0.00 0.00 0.00 60.65 61.79 2itc s ILE 205 Cb -0.24 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2itc s ILE 205 CO 0.35 0.19 -0.21 0.68 0.00 0.00 0.00 174.94 175.95 2itc s VAL 206 N 1.91 2.62 -0.01 2.92 -7.23 -1.26 -0.43 120.40 118.92 2itc s VAL 206 Ca 0.11 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2itc s VAL 206 Cb -0.16 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.64 2itc s VAL 206 CO 0.11 0.20 0.00 -0.54 -0.31 0.00 0.00 175.10 174.56 2itc s LYS 207 N -1.82 0.04 0.31 4.82 -0.14 -0.76 -5.01 119.74 117.18 2itc s LYS 207 Ca 0.15 0.04 0.02 0.00 -1.36 0.00 0.00 55.97 54.82 2itc s LYS 207 Cb -0.10 -0.13 -0.02 0.00 -1.68 0.00 0.00 37.83 35.90 2itc s LYS 207 CO 0.07 -0.04 0.33 -1.12 -0.76 0.00 0.00 175.35 173.82 2itc s SER 208 N 0.33 1.10 -0.24 2.83 0.01 -1.26 -1.00 113.70 115.47 2itc s SER 208 Ca -0.03 -1.57 -0.27 0.00 1.31 0.00 0.00 55.95 55.39 2itc s SER 208 Cb -0.04 0.56 0.14 0.00 0.21 0.00 0.00 66.02 66.89 2itc s SER 208 CO -0.01 -1.11 1.11 0.72 0.41 0.00 0.00 173.24 174.36 2itc s PHE 209 N -3.46 -0.34 -0.11 2.43 -0.12 -0.96 -5.00 117.98 110.41 2itc s PHE 209 Ca 0.36 0.73 -0.06 0.00 -0.05 0.00 0.00 56.93 57.92 2itc s PHE 209 Cb 0.02 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 2itc s PHE 209 CO 0.22 -0.22 0.11 -0.80 -0.05 0.00 0.00 175.22 174.47 2itc s ASN 210 N -0.38 6.13 0.41 1.98 -0.87 -1.26 -1.85 114.94 119.10 2itc s ASN 210 Ca 0.03 0.39 0.27 0.00 -1.57 0.00 0.00 52.86 51.97 2itc s ASN 210 Cb -0.03 -1.94 1.45 0.00 -0.02 0.00 0.00 41.25 40.71 2itc s ASN 210 CO -0.05 0.40 1.81 -0.09 -2.57 0.00 0.00 177.10 176.59 2itc h ARG 211 N 5.06 0.00 -0.03 -0.60 2.43 -1.43 -3.49 114.38 116.33 2itc h ARG 211 Ca -0.54 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2itc h ARG 211 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2itc h ARG 211 CO 0.58 0.00 0.00 -1.71 -1.51 0.00 0.00 179.97 177.33