#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4k n TYR 8 N 0.00 -2.06 -3.69 1.61 4.02 -1.26 -5.01 117.16 110.77 2c4k n TYR 8 Ca 0.00 0.74 -0.39 0.00 -0.01 0.00 0.00 57.90 58.24 2c4k n TYR 8 Cb 0.00 -3.69 -0.11 0.00 -0.02 0.00 0.00 39.34 35.51 2c4k n TYR 8 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2c4k s ARG 9 N -3.72 2.61 -0.06 -0.72 1.81 -1.26 -4.80 118.95 112.80 2c4k s ARG 9 Ca 0.24 -1.29 0.00 0.00 -1.72 0.00 0.00 55.73 52.96 2c4k s ARG 9 Cb -0.03 -3.60 0.02 0.00 -0.45 0.00 0.00 34.95 30.89 2c4k s ARG 9 CO 0.58 -0.78 -0.04 0.54 -0.68 0.00 0.00 175.30 174.92 2c4k s VAL 10 N 1.42 0.59 0.20 3.52 0.11 -1.26 0.73 120.40 125.70 2c4k s VAL 10 Ca 0.01 -0.09 0.11 0.00 -2.93 0.00 0.00 61.98 59.09 2c4k s VAL 10 Cb -0.21 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2c4k s VAL 10 CO 0.03 0.27 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.47 2c4k s PHE 11 N 1.37 2.28 -0.14 1.54 0.40 0.33 -1.38 117.98 122.38 2c4k s PHE 11 Ca -0.04 -0.36 -0.06 0.00 -0.60 0.00 0.00 56.93 55.87 2c4k s PHE 11 Cb -0.13 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 2c4k s PHE 11 CO -0.03 0.51 0.07 0.45 0.70 0.00 0.00 175.22 176.92 2c4k s SER 12 N -2.72 5.79 -0.00 1.36 0.15 -1.26 0.55 113.70 117.57 2c4k s SER 12 Ca 0.21 0.22 0.16 0.00 0.70 0.00 0.00 55.95 57.24 2c4k s SER 12 Cb -0.08 -1.88 0.47 0.00 -1.71 0.00 0.00 66.02 62.82 2c4k s SER 12 CO 0.10 0.29 1.39 0.00 1.20 0.00 0.00 173.24 176.22 2c4k n ALA 13 N 2.76 2.41 -1.94 5.45 0.00 -0.87 -4.90 120.51 123.41 2c4k n ALA 13 Ca -0.18 -0.94 -0.34 0.00 0.00 0.00 0.00 53.44 51.98 2c4k n ALA 13 Cb 0.53 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 2c4k n ALA 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2c4k s ASN 14 N -1.00 7.01 -0.09 0.00 0.01 -1.26 -4.68 114.94 114.92 2c4k s ASN 14 Ca 0.36 1.57 0.03 0.00 -0.71 0.00 0.00 52.86 54.11 2c4k s ASN 14 Cb 0.19 -2.48 -0.08 0.00 0.41 0.00 0.00 41.25 39.28 2c4k s ASN 14 CO 0.24 -0.19 -0.04 -1.54 -1.51 0.00 0.00 177.10 174.07 2c4k n SER 15 N -0.06 3.16 -4.72 -1.22 3.41 -1.26 -4.84 113.62 108.09 2c4k n SER 15 Ca 0.03 -0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2c4k n SER 15 Cb 0.52 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.65 2c4k n SER 15 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2c4k s THR 16 N -2.20 3.22 -1.62 6.66 2.01 -1.26 -4.93 115.64 117.53 2c4k s THR 16 Ca -0.09 0.87 0.07 0.00 0.31 0.00 0.00 61.69 62.85 2c4k s THR 16 Cb 0.03 -3.56 0.25 0.00 0.01 0.00 0.00 72.50 69.23 2c4k s THR 16 CO 0.27 0.07 1.11 0.00 -0.69 0.00 0.00 174.62 175.38 2c4k n ALA 17 N 3.98 2.62 0.03 7.40 0.00 -1.26 -2.29 120.51 130.98 2c4k n ALA 17 Ca 0.12 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 53.06 2c4k n ALA 17 Cb 0.42 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 2c4k n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c4k n ALA 18 N 0.24 2.20 1.82 0.00 0.00 -1.26 -4.40 120.51 119.11 2c4k n ALA 18 Ca 0.09 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2c4k n ALA 18 Cb 0.33 -0.13 0.43 0.00 0.00 0.00 0.00 19.45 20.07 2c4k n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c4k n THR 20 N -0.75 1.34 0.04 0.00 -1.04 -1.19 -4.52 114.28 108.16 2c4k n THR 20 Ca 0.11 -1.46 -0.13 0.00 -2.04 0.00 0.00 64.05 60.53 2c4k n THR 20 Cb 0.05 0.22 -0.09 0.00 -1.82 0.00 0.00 70.33 68.70 2c4k n THR 20 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2c4k h GLU 21 N 0.17 -0.12 -0.97 -2.82 4.39 -1.75 -1.82 114.58 111.67 2c4k h GLU 21 Ca 0.00 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2c4k h GLU 21 Cb 0.71 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 2c4k h GLU 21 CO 0.01 0.27 0.63 1.25 -1.16 0.00 0.00 179.01 180.00 2c4k h LEU 22 N -0.54 1.13 -0.24 1.33 5.85 -1.86 -0.75 115.31 120.23 2c4k h LEU 22 Ca -0.01 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2c4k h LEU 22 Cb 0.45 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2c4k h LEU 22 CO 0.02 0.83 -0.17 0.00 -0.34 0.00 0.00 178.44 178.78 2c4k h ALA 23 N 1.37 0.34 -0.67 1.25 0.00 -1.89 -0.19 119.26 119.47 2c4k h ALA 23 Ca 0.35 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2c4k h ALA 23 Cb -0.13 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.49 2c4k h ALA 23 CO -0.07 0.25 0.17 -0.22 0.00 0.00 0.00 179.25 179.37 2c4k h LYS 24 N 0.24 0.28 -0.05 0.00 1.63 -1.02 -2.64 116.57 115.02 2c4k h LYS 24 Ca 0.05 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2c4k h LYS 24 Cb 0.70 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2c4k h LYS 24 CO 0.05 0.19 0.00 0.00 -3.45 0.00 0.00 179.45 176.24 2c4k h ARG 25 N 0.29 0.08 -0.25 1.90 3.08 -0.57 -2.70 114.38 116.22 2c4k h ARG 25 Ca 0.36 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.45 2c4k h ARG 25 Cb 0.56 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 2c4k h ARG 25 CO -0.43 0.33 -0.26 0.82 -1.07 0.00 0.00 179.97 179.36 2c4k h ILE 26 N -0.19 0.36 -0.53 2.04 2.04 -0.94 -2.25 117.51 118.04 2c4k h ILE 26 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2c4k h ILE 26 Cb 0.29 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2c4k h ILE 26 CO 0.00 0.00 0.35 0.71 0.00 0.00 0.00 178.15 179.21 2c4k h THR 27 N -0.27 1.08 -0.43 -0.27 1.35 -1.44 -1.01 112.91 111.93 2c4k h THR 27 Ca 0.14 -0.22 0.05 0.00 -0.55 0.00 0.00 66.41 65.83 2c4k h THR 27 Cb 0.48 0.39 -0.05 0.00 -1.73 0.00 0.00 68.15 67.24 2c4k h THR 27 CO -0.40 0.12 0.15 -0.33 -0.25 0.00 0.00 175.52 174.81 2c4k h GLU 28 N 0.63 0.31 0.00 4.72 4.39 -1.07 -0.32 114.58 123.24 2c4k h GLU 28 Ca 0.21 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2c4k h GLU 28 Cb 0.06 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2c4k h GLU 28 CO -0.05 0.21 -0.05 0.00 -1.16 0.00 0.00 179.01 177.95 2c4k h ARG 29 N 0.32 0.00 -0.01 2.33 3.08 -0.87 -1.81 114.38 117.43 2c4k h ARG 29 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2c4k h ARG 29 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2c4k h ARG 29 CO -0.20 0.05 -0.18 1.28 -1.07 0.00 0.00 179.97 179.85 2c4k n LEU 30 N -3.17 1.46 0.00 3.04 7.99 -0.71 -4.92 117.00 120.69 2c4k n LEU 30 Ca 0.01 -0.46 0.00 0.00 -0.01 0.00 0.00 56.01 55.55 2c4k n LEU 30 Cb 0.35 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 2c4k n LEU 30 CO 0.29 0.26 0.00 0.61 -1.51 0.00 0.00 177.39 177.04 2c4k n GLY 31 N 1.30 0.39 3.85 -0.72 0.00 -0.49 -4.96 105.19 104.56 2c4k n GLY 31 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2c4k n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c4k s ALA 32 N -1.65 2.54 -0.05 4.61 0.00 -0.25 -4.95 121.76 122.01 2c4k s ALA 32 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.65 2c4k s ALA 32 Cb 0.00 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2c4k s ALA 32 CO 0.00 -1.53 -0.22 -2.00 0.00 0.00 0.00 175.76 172.01 2c4k s GLU 33 N -5.33 2.21 0.59 0.00 2.12 -1.26 -4.27 118.70 112.76 2c4k s GLU 33 Ca 0.60 -0.80 -0.19 0.00 0.36 0.00 0.00 54.97 54.94 2c4k s GLU 33 Cb -0.12 -1.91 -0.05 0.00 0.26 0.00 0.00 34.13 32.31 2c4k s GLU 33 CO 0.52 0.35 1.08 1.28 -0.54 0.00 0.00 175.26 177.95 2c4k n LEU 34 N 2.95 4.29 -4.77 2.70 4.77 -1.26 -4.72 117.00 120.97 2c4k n LEU 34 Ca -0.17 0.85 -0.39 0.00 -0.03 0.00 0.00 56.01 56.26 2c4k n LEU 34 Cb 0.52 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.14 2c4k n LEU 34 CO 0.25 -1.50 0.83 -0.83 -1.33 0.00 0.00 177.39 174.80 2c4k s GLY 35 N -1.19 2.95 0.06 -0.72 0.00 -0.48 -4.98 107.32 102.96 2c4k s GLY 35 Ca 0.76 0.95 -0.30 0.00 0.00 0.00 0.00 44.72 46.12 2c4k s GLY 35 CO 0.47 1.51 1.09 -1.59 0.00 0.00 0.00 173.10 174.57 2c4k s LYS 36 N -1.89 4.52 -0.30 2.90 0.00 -1.26 -4.77 119.74 118.94 2c4k s LYS 36 Ca 0.51 1.61 -0.19 0.00 0.00 0.00 0.00 55.97 57.90 2c4k s LYS 36 Cb -0.31 -3.38 0.19 0.00 0.00 0.00 0.00 37.83 34.32 2c4k s LYS 36 CO 0.40 -0.10 1.26 -1.54 0.00 0.00 0.00 175.35 175.37 2c4k s SER 37 N 0.81 -0.09 0.23 0.03 1.04 -1.26 -1.12 113.70 113.34 2c4k s SER 37 Ca 0.54 0.10 -0.30 0.00 0.48 0.00 0.00 55.95 56.77 2c4k s SER 37 Cb -0.26 1.09 -0.09 0.00 0.10 0.00 0.00 66.02 66.87 2c4k s SER 37 CO 0.30 -0.02 0.98 0.68 0.98 0.00 0.00 173.24 176.15 2c4k s VAL 38 N 2.35 4.00 -0.60 5.02 -7.23 -0.69 -4.90 120.40 118.36 2c4k s VAL 38 Ca -0.03 1.96 0.04 0.00 -1.81 0.00 0.00 61.98 62.15 2c4k s VAL 38 Cb -0.03 -4.25 0.15 0.00 0.56 0.00 0.00 36.38 32.80 2c4k s VAL 38 CO -0.13 0.45 0.36 -0.69 -0.31 0.00 0.00 175.10 174.78 2c4k s VAL 39 N -1.02 2.71 1.26 1.32 1.01 -1.26 -1.25 120.40 123.17 2c4k s VAL 39 Ca 0.43 -3.74 -0.21 0.00 0.00 0.00 0.00 61.98 58.46 2c4k s VAL 39 Cb -0.27 -2.83 0.31 0.00 0.00 0.00 0.00 36.38 33.59 2c4k s VAL 39 CO 0.33 -0.89 1.10 -1.22 0.00 0.00 0.00 175.10 174.42 2c4k n TYR 40 N 2.61 -3.91 -3.63 5.22 0.53 0.26 -4.81 117.16 113.43 2c4k n TYR 40 Ca 0.12 -1.00 -0.16 0.00 -1.02 0.00 0.00 57.90 55.84 2c4k n TYR 40 Cb 0.33 -1.16 -0.14 0.00 -1.03 0.00 0.00 39.34 37.34 2c4k n TYR 40 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 2c4k s GLN 41 N -5.50 0.10 0.96 -0.72 -1.52 -1.26 -3.43 119.66 108.29 2c4k s GLN 41 Ca 0.72 0.53 -0.12 0.00 -1.95 0.00 0.00 55.36 54.55 2c4k s GLN 41 Cb -0.07 -0.43 0.16 0.00 -0.22 0.00 0.00 33.01 32.45 2c4k s GLN 41 CO 0.55 -0.38 1.09 -1.21 -0.25 0.00 0.00 175.29 175.09 2c4k s GLU 42 N 2.34 0.75 0.40 2.91 0.41 0.11 -4.90 118.70 120.73 2c4k s GLU 42 Ca 0.03 0.96 0.10 0.00 -0.41 0.00 0.00 54.97 55.65 2c4k s GLU 42 Cb -0.13 -1.74 0.83 0.00 -1.78 0.00 0.00 34.13 31.32 2c4k s GLU 42 CO -0.08 -2.63 1.94 1.79 -0.49 0.00 0.00 175.26 175.80 2c4k h THR 43 N -1.84 1.16 0.00 3.63 1.35 -2.02 -1.64 112.91 113.55 2c4k h THR 43 Ca -0.51 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2c4k h THR 43 Cb 1.29 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2c4k h THR 43 CO 0.51 0.22 0.00 -0.46 -0.25 0.00 0.00 175.52 175.54 2c4k n ASN 44 N -4.31 0.00 0.00 5.36 0.23 -1.26 -4.90 115.26 110.39 2c4k n ASN 44 Ca -0.01 -0.29 0.00 0.00 -0.53 0.00 0.00 54.58 53.75 2c4k n ASN 44 Cb 0.24 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 2c4k n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2c4k n GLY 45 N 0.93 2.74 3.61 4.83 0.00 -0.62 -5.07 105.19 111.61 2c4k n GLY 45 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2c4k n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c4k n GLU 46 N -0.78 1.38 -3.16 1.61 1.02 -1.26 -4.51 120.64 114.94 2c4k n GLU 46 Ca 0.00 0.49 -0.34 0.00 -0.02 0.00 0.00 57.16 57.29 2c4k n GLU 46 Cb 0.00 -2.00 -0.06 0.00 -0.02 0.00 0.00 31.44 29.36 2c4k n GLU 46 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2c4k s THR 47 N -1.23 4.67 0.00 2.62 2.01 -1.26 0.10 115.64 122.55 2c4k s THR 47 Ca 0.62 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.64 2c4k s THR 47 Cb -0.59 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.21 2c4k s THR 47 CO 0.58 -0.00 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.36 2c4k s ARG 48 N -2.53 0.12 -0.02 4.92 0.52 -1.22 -4.88 118.95 115.85 2c4k s ARG 48 Ca 0.48 -0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.64 2c4k s ARG 48 Cb -0.13 -0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.25 2c4k s ARG 48 CO 0.19 0.02 -0.08 0.08 0.02 0.00 0.00 175.30 175.53 2c4k s VAL 49 N -0.12 0.73 -0.09 3.52 1.01 -1.26 0.91 120.40 125.10 2c4k s VAL 49 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2c4k s VAL 49 Cb -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2c4k s VAL 49 CO -0.00 0.23 -0.05 -0.70 0.00 0.00 0.00 175.10 174.58 2c4k s GLU 50 N 0.15 1.11 -0.29 2.72 -6.30 -0.38 -5.01 118.70 110.70 2c4k s GLU 50 Ca -0.02 -0.11 -0.22 0.00 -2.50 0.00 0.00 54.97 52.12 2c4k s GLU 50 Cb -0.08 -1.26 -0.01 0.00 0.00 0.00 0.00 34.13 32.79 2c4k s GLU 50 CO 0.00 -0.24 0.73 0.42 0.02 0.00 0.00 175.26 176.19 2c4k s ILE 51 N 1.66 4.86 -0.47 -3.70 1.09 -1.26 -1.70 121.20 121.68 2c4k s ILE 51 Ca 0.02 1.17 0.07 0.00 -1.10 0.00 0.00 60.65 60.81 2c4k s ILE 51 Cb -0.13 -4.07 0.50 0.00 -1.06 0.00 0.00 42.46 37.70 2c4k s ILE 51 CO -0.05 -0.15 1.35 0.29 -0.10 0.00 0.00 174.94 176.28 2c4k n LYS 52 N 6.02 3.12 -3.58 2.79 4.76 -0.28 -4.90 118.16 126.10 2c4k n LYS 52 Ca 0.02 -1.97 -0.13 0.00 -2.87 0.00 0.00 58.31 53.36 2c4k n LYS 52 Cb 0.48 -1.94 -0.05 0.00 -1.84 0.00 0.00 35.03 31.69 2c4k n LYS 52 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2c4k s GLU 53 N -2.11 1.06 0.30 1.97 -1.05 -1.26 -4.85 118.70 112.77 2c4k s GLU 53 Ca 0.35 -0.36 -0.29 0.00 -0.15 0.00 0.00 54.97 54.52 2c4k s GLU 53 Cb 0.27 0.48 -0.10 0.00 -0.44 0.00 0.00 34.13 34.34 2c4k s GLU 53 CO 0.09 -0.40 1.15 0.45 0.95 0.00 0.00 175.26 177.50 2c4k s SER 54 N -2.22 7.09 0.00 0.83 0.15 -1.26 -4.95 113.70 113.34 2c4k s SER 54 Ca -0.03 2.36 0.00 0.00 0.70 0.00 0.00 55.95 58.98 2c4k s SER 54 Cb -0.00 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2c4k s SER 54 CO -0.05 -0.28 0.00 0.52 1.20 0.00 0.00 173.24 174.63 2c4k n VAL 55 N 0.98 0.00 -0.12 4.45 0.31 -1.26 -5.05 118.33 117.65 2c4k n VAL 55 Ca -0.00 -0.15 -0.04 0.00 -0.01 0.00 0.00 64.34 64.14 2c4k n VAL 55 Cb 0.44 0.64 -0.01 0.00 -0.91 0.00 0.00 33.84 34.00 2c4k n VAL 55 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2c4k n ARG 56 N -1.24 0.00 -0.92 5.55 5.12 -1.19 -0.17 116.66 123.81 2c4k n ARG 56 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2c4k n ARG 56 Cb 0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 32.46 31.18 2c4k n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2c4k n GLY 57 N 0.55 0.82 3.97 -0.13 0.00 0.85 -4.96 105.19 106.29 2c4k n GLY 57 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 2c4k n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c4k s GLN 58 N -0.08 3.41 -0.30 1.61 -0.21 0.76 -4.18 119.66 120.68 2c4k s GLN 58 Ca 0.00 -0.77 -0.18 0.00 0.02 0.00 0.00 55.36 54.43 2c4k s GLN 58 Cb 0.00 -2.88 -0.02 0.00 1.00 0.00 0.00 33.01 31.11 2c4k s GLN 58 CO 0.00 0.39 0.50 -0.51 -2.12 0.00 0.00 175.29 173.55 2c4k s ASP 59 N -4.00 6.36 -0.05 5.90 1.01 -1.26 -0.47 116.67 124.16 2c4k s ASP 59 Ca 0.35 0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.90 2c4k s ASP 59 Cb -0.09 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 2c4k s ASP 59 CO 0.29 -0.36 -0.16 -0.63 0.21 0.00 0.00 175.17 174.53 2c4k s ILE 60 N 2.32 2.93 -0.23 0.77 -1.09 0.22 -4.15 121.20 121.97 2c4k s ILE 60 Ca 0.19 -0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 57.81 2c4k s ILE 60 Cb -0.16 -2.14 -0.00 0.00 -1.58 0.00 0.00 42.46 38.58 2c4k s ILE 60 CO 0.11 0.58 -0.03 -0.36 -1.23 0.00 0.00 174.94 174.02 2c4k s PHE 61 N -0.60 3.00 0.06 3.97 0.40 0.22 0.15 117.98 125.19 2c4k s PHE 61 Ca 0.09 -1.00 -0.09 0.00 -0.60 0.00 0.00 56.93 55.33 2c4k s PHE 61 Cb -0.11 -2.12 -0.06 0.00 0.51 0.00 0.00 43.02 41.24 2c4k s PHE 61 CO 0.01 -0.57 0.37 0.42 0.70 0.00 0.00 175.22 176.15 2c4k s ILE 62 N 1.47 5.14 -0.10 0.64 1.01 0.77 0.12 121.20 130.24 2c4k s ILE 62 Ca 0.05 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.10 2c4k s ILE 62 Cb -0.15 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2c4k s ILE 62 CO -0.03 0.30 -0.19 -0.63 0.00 0.00 0.00 174.94 174.39 2c4k s ILE 63 N -1.38 2.50 -0.04 2.92 1.01 0.19 -0.23 121.20 126.17 2c4k s ILE 63 Ca 0.32 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.10 2c4k s ILE 63 Cb -0.14 -1.99 0.03 0.00 0.01 0.00 0.00 42.46 40.36 2c4k s ILE 63 CO 0.18 0.55 -0.01 -1.10 0.00 0.00 0.00 174.94 174.56 2c4k s GLN 64 N 0.23 0.45 0.16 2.79 -1.52 -0.44 -2.05 119.66 119.28 2c4k s GLN 64 Ca -0.13 0.06 0.06 0.00 -1.95 0.00 0.00 55.36 53.40 2c4k s GLN 64 Cb -0.16 -0.64 -0.04 0.00 -0.22 0.00 0.00 33.01 31.95 2c4k s GLN 64 CO 0.07 -0.16 0.04 0.95 -0.25 0.00 0.00 175.29 175.93 2c4k s THR 65 N 1.21 3.99 -0.26 -0.19 -4.23 -1.26 -3.92 115.64 110.98 2c4k s THR 65 Ca -0.07 -1.25 -0.05 0.00 -1.18 0.00 0.00 61.69 59.14 2c4k s THR 65 Cb -0.13 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.72 2c4k s THR 65 CO -0.02 -0.07 0.01 0.27 -0.54 0.00 0.00 174.62 174.28 2c4k s ILE 66 N -1.66 3.57 -0.85 2.99 -5.25 -1.26 -4.96 121.20 113.78 2c4k s ILE 66 Ca 0.28 -0.70 0.01 0.00 -0.99 0.00 0.00 60.65 59.25 2c4k s ILE 66 Cb -0.10 -2.78 0.26 0.00 2.95 0.00 0.00 42.46 42.79 2c4k s ILE 66 CO 0.20 0.20 0.98 -0.81 -1.79 0.00 0.00 174.94 173.72 2c4k n PRO 67 N 4.80 3.14 0.00 0.37 -0.04 -1.26 -4.66 135.00 137.35 2c4k n PRO 67 Ca -0.16 -4.58 0.00 0.00 -0.04 0.00 0.00 63.50 58.72 2c4k n PRO 67 Cb 0.49 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2c4k n PRO 67 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2c4k n ARG 68 N 1.40 0.00 -2.49 0.54 3.00 -1.26 -4.70 116.66 113.15 2c4k n ARG 68 Ca 0.26 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.70 2c4k n ARG 68 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.82 2c4k n ARG 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2c4k n ASP 69 N 3.82 4.65 -0.04 6.15 -0.08 -1.26 -4.69 116.55 125.11 2c4k n ASP 69 Ca 0.00 -2.89 -0.16 0.00 -1.51 0.00 0.00 54.79 50.23 2c4k n ASP 69 Cb 0.00 -1.75 -0.07 0.00 2.34 0.00 0.00 41.12 41.65 2c4k n ASP 69 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2c4k h VAL 70 N 5.63 1.30 -1.06 5.18 3.04 -1.96 -2.84 116.25 125.54 2c4k h VAL 70 Ca 0.42 -1.84 0.28 0.00 -1.01 0.00 0.00 66.70 64.54 2c4k h VAL 70 Cb 0.88 1.95 -0.09 0.00 -2.01 0.00 0.00 31.29 32.02 2c4k h VAL 70 CO 1.43 0.58 0.69 0.78 -1.01 0.00 0.00 177.57 180.04 2c4k h ASN 71 N 0.43 0.37 0.34 3.17 2.35 -2.00 -1.33 115.58 118.92 2c4k h ASN 71 Ca -0.03 0.07 -0.33 0.00 -0.55 0.00 0.00 56.30 55.47 2c4k h ASN 71 Cb 1.25 0.01 0.02 0.00 0.05 0.00 0.00 38.32 39.65 2c4k h ASN 71 CO 0.13 0.07 -1.50 0.74 -1.65 0.00 0.00 177.43 175.22 2c4k h THR 72 N 0.33 1.24 -0.59 2.81 2.02 -1.91 -3.18 112.91 113.63 2c4k h THR 72 Ca 0.59 -2.74 0.13 0.00 0.77 0.00 0.00 66.41 65.16 2c4k h THR 72 Cb 1.62 2.95 -0.03 0.00 -1.74 0.00 0.00 68.15 70.94 2c4k h THR 72 CO -0.26 0.84 0.41 0.00 0.37 0.00 0.00 175.52 176.88 2c4k h ALA 73 N 0.26 2.24 0.10 6.16 0.00 -1.13 -0.83 119.26 126.06 2c4k h ALA 73 Ca -0.25 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.38 2c4k h ALA 73 Cb 2.11 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 2c4k h ALA 73 CO 0.23 -0.39 -1.21 -0.39 0.00 0.00 0.00 179.25 177.49 2c4k h VAL 74 N 0.23 1.53 -0.01 0.00 -1.51 -1.44 -2.50 116.25 112.55 2c4k h VAL 74 Ca 0.28 -3.13 -0.02 0.00 -1.23 0.00 0.00 66.70 62.61 2c4k h VAL 74 Cb 0.80 2.92 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 2c4k h VAL 74 CO -0.06 0.91 -0.06 0.24 -1.23 0.00 0.00 177.57 177.37 2c4k h MET 75 N 0.06 0.06 -0.92 5.19 2.86 -1.42 0.11 114.93 120.86 2c4k h MET 75 Ca -0.12 -0.05 0.26 0.00 -2.06 0.00 0.00 59.70 57.74 2c4k h MET 75 Cb 1.94 0.01 -0.16 0.00 0.06 0.00 0.00 31.60 33.44 2c4k h MET 75 CO 0.19 0.72 0.15 0.93 1.06 0.00 0.00 176.91 179.95 2c4k h GLU 76 N -0.59 0.09 0.65 1.72 5.08 -1.28 1.22 114.58 121.47 2c4k h GLU 76 Ca -0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2c4k h GLU 76 Cb 0.73 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2c4k h GLU 76 CO 0.01 0.06 -0.31 1.25 -1.00 0.00 0.00 179.01 179.02 2c4k h LEU 77 N 0.09 -0.74 -0.26 1.33 5.85 -1.26 -1.44 115.31 118.89 2c4k h LEU 77 Ca 0.58 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.39 2c4k h LEU 77 Cb 1.22 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 42.36 2c4k h LEU 77 CO -0.78 -0.37 -0.30 -0.07 -0.34 0.00 0.00 178.44 176.58 2c4k h LEU 78 N -1.20 -0.96 -0.73 2.25 3.38 -0.03 -0.08 115.31 117.95 2c4k h LEU 78 Ca -0.09 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.13 2c4k h LEU 78 Cb 0.67 0.44 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 2c4k h LEU 78 CO 0.15 -0.32 0.38 0.40 0.09 0.00 0.00 178.44 179.13 2c4k h ILE 79 N -0.30 0.87 -0.45 1.22 2.04 0.14 -0.27 117.51 120.75 2c4k h ILE 79 Ca 0.13 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 2c4k h ILE 79 Cb 0.52 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2c4k h ILE 79 CO -0.43 0.12 0.11 -0.03 0.00 0.00 0.00 178.15 177.92 2c4k h MET 80 N 0.65 0.73 -0.01 2.37 4.05 -0.45 -0.40 114.93 121.86 2c4k h MET 80 Ca 0.35 -0.17 0.01 0.00 -0.28 0.00 0.00 59.70 59.61 2c4k h MET 80 Cb 0.35 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 2c4k h MET 80 CO -0.26 0.72 -0.06 0.00 0.23 0.00 0.00 176.91 177.54 2c4k h ALA 81 N 0.97 -0.06 -0.80 0.39 0.00 -0.47 -0.72 119.26 118.58 2c4k h ALA 81 Ca 0.14 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2c4k h ALA 81 Cb 0.32 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2c4k h ALA 81 CO 0.00 -0.55 0.53 -0.92 0.00 0.00 0.00 179.25 178.30 2c4k h TYR 82 N -0.11 0.98 -0.13 0.00 3.20 0.07 0.28 116.97 121.27 2c4k h TYR 82 Ca 0.03 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 2c4k h TYR 82 Cb 0.15 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2c4k h TYR 82 CO -0.14 0.60 -0.49 0.00 -1.64 0.00 0.00 178.16 176.49 2c4k h ALA 83 N 1.51 0.91 -0.07 1.82 0.00 -0.75 -1.83 119.26 120.86 2c4k h ALA 83 Ca 0.30 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 2c4k h ALA 83 Cb -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2c4k h ALA 83 CO -0.07 0.66 -0.76 -0.07 0.00 0.00 0.00 179.25 179.01 2c4k h LEU 84 N 0.28 0.48 -0.54 0.00 3.38 -0.17 -1.29 115.31 117.45 2c4k h LEU 84 Ca 0.01 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 2c4k h LEU 84 Cb 0.97 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2c4k h LEU 84 CO 0.08 1.07 0.25 0.50 0.09 0.00 0.00 178.44 180.44 2c4k h LYS 85 N 0.27 0.79 -0.35 1.13 3.64 -0.43 -1.00 116.57 120.62 2c4k h LYS 85 Ca -0.04 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 2c4k h LYS 85 Cb 1.34 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2c4k h LYS 85 CO 0.13 0.65 -0.08 1.15 -2.27 0.00 0.00 179.45 179.04 2c4k h THR 86 N 0.73 1.23 0.00 1.00 2.02 -1.29 -2.19 112.91 114.41 2c4k h THR 86 Ca 0.19 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2c4k h THR 86 Cb 0.13 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2c4k h THR 86 CO -0.02 0.33 0.00 0.00 0.37 0.00 0.00 175.52 176.20 2c4k n ALA 87 N -2.48 2.15 -2.54 6.16 0.00 -0.49 -4.89 120.51 118.41 2c4k n ALA 87 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 2c4k n ALA 87 Cb 0.31 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.47 2c4k n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c4k s ALA 89 N -3.07 3.62 0.01 0.00 0.00 -0.44 -0.11 121.76 121.77 2c4k s ALA 89 Ca 0.07 1.24 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 2c4k s ALA 89 Cb -0.03 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 2c4k s ALA 89 CO 0.16 -0.67 0.94 -0.09 0.00 0.00 0.00 175.76 176.09 2c4k h ARG 90 N 5.86 -0.50 -5.59 0.00 2.43 -0.93 -3.45 114.38 112.20 2c4k h ARG 90 Ca -0.44 0.03 -0.68 0.00 -0.81 0.00 0.00 59.98 58.08 2c4k h ARG 90 Cb 1.21 0.11 -0.32 0.00 -0.42 0.00 0.00 29.97 30.56 2c4k h ARG 90 CO 0.82 -0.33 -0.87 -0.80 -1.51 0.00 0.00 179.97 177.28 2c4k s ASN 91 N -3.39 3.16 -0.32 -3.80 0.02 -1.22 -4.99 114.94 104.41 2c4k s ASN 91 Ca -0.08 -0.52 -0.05 0.00 -1.02 0.00 0.00 52.86 51.19 2c4k s ASN 91 Cb 0.01 -1.22 0.04 0.00 0.02 0.00 0.00 41.25 40.10 2c4k s ASN 91 CO 0.23 0.19 0.07 -0.63 0.02 0.00 0.00 177.10 176.98 2c4k s ILE 92 N 0.15 3.55 -0.22 0.60 1.01 -1.26 0.72 121.20 125.75 2c4k s ILE 92 Ca -0.13 -1.14 -0.05 0.00 0.00 0.00 0.00 60.65 59.33 2c4k s ILE 92 Cb -0.16 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 2c4k s ILE 92 CO 0.07 -0.11 -0.01 -0.63 0.00 0.00 0.00 174.94 174.25 2c4k s ILE 93 N 1.37 3.70 -0.32 2.92 1.09 0.12 -0.05 121.20 130.04 2c4k s ILE 93 Ca -0.02 -0.39 -0.20 0.00 -1.10 0.00 0.00 60.65 58.95 2c4k s ILE 93 Cb -0.19 -2.69 -0.01 0.00 -1.06 0.00 0.00 42.46 38.51 2c4k s ILE 93 CO 0.01 0.41 0.60 -0.83 -0.10 0.00 0.00 174.94 175.03 2c4k s GLY 94 N 1.33 1.78 -0.53 6.18 0.00 -0.20 -0.17 107.32 115.72 2c4k s GLY 94 Ca 0.04 -0.77 -0.16 0.00 0.00 0.00 0.00 44.72 43.83 2c4k s GLY 94 CO -0.00 1.41 0.49 0.14 0.00 0.00 0.00 173.10 175.14 2c4k s VAL 95 N 2.57 5.19 -0.58 1.40 1.01 0.68 -0.33 120.40 130.34 2c4k s VAL 95 Ca 0.23 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.91 2c4k s VAL 95 Cb -0.15 -4.30 0.15 0.00 0.00 0.00 0.00 36.38 32.08 2c4k s VAL 95 CO 0.13 -0.81 0.36 -0.63 0.00 0.00 0.00 175.10 174.14 2c4k s ILE 96 N 1.69 2.40 0.07 2.22 1.09 -0.56 -1.32 121.20 126.79 2c4k s ILE 96 Ca 0.04 -3.56 -0.28 0.00 -1.10 0.00 0.00 60.65 55.75 2c4k s ILE 96 Cb -0.28 -2.63 -0.13 0.00 -1.06 0.00 0.00 42.46 38.36 2c4k s ILE 96 CO 0.04 -0.92 1.43 -0.65 -0.10 0.00 0.00 174.94 174.74 2c4k h PRO 97 N 6.03 -0.72 -5.63 2.79 0.11 -1.78 -3.30 132.00 129.49 2c4k h PRO 97 Ca 0.04 0.05 -0.61 0.00 0.11 0.00 0.00 66.00 65.59 2c4k h PRO 97 Cb 0.84 0.16 -0.11 0.00 0.11 0.00 0.00 31.00 32.00 2c4k h PRO 97 CO 0.65 -0.48 0.27 -0.47 -0.21 0.00 0.00 178.00 177.76 2c4k s TYR 98 N -5.20 3.20 -0.28 0.65 5.04 -1.26 -2.09 117.35 117.41 2c4k s TYR 98 Ca -0.14 0.65 -0.27 0.00 -2.44 0.00 0.00 57.07 54.88 2c4k s TYR 98 Cb 0.04 -3.13 0.01 0.00 0.35 0.00 0.00 41.96 39.23 2c4k s TYR 98 CO 0.47 -0.55 0.95 0.12 -1.34 0.00 0.00 175.55 175.20 2c4k s PHE 99 N 2.80 3.24 0.81 4.97 2.19 -1.24 -4.73 117.98 126.01 2c4k s PHE 99 Ca 0.28 1.15 -0.11 0.00 0.33 0.00 0.00 56.93 58.58 2c4k s PHE 99 Cb -0.14 -3.36 0.08 0.00 -1.31 0.00 0.00 43.02 38.29 2c4k s PHE 99 CO 0.13 -0.58 1.09 -1.25 1.83 0.00 0.00 175.22 176.43 2c4k s PRO 100 N 3.23 1.96 -0.50 10.12 0.04 -1.26 -3.17 135.00 145.42 2c4k s PRO 100 Ca 0.40 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2c4k s PRO 100 Cb -0.14 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2c4k s PRO 100 CO 0.11 -1.75 0.00 0.66 0.04 0.00 0.00 177.00 176.06 2c4k n TYR 101 N -3.54 -0.06 0.22 0.56 4.01 -1.26 -4.84 117.16 112.25 2c4k n TYR 101 Ca 0.07 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.91 2c4k n TYR 101 Cb 0.55 -2.05 0.48 0.00 -0.31 0.00 0.00 39.34 38.01 2c4k n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2c4k h SER 102 N 0.00 0.00 0.96 7.72 4.64 -1.94 -0.52 113.55 124.41 2c4k h SER 102 Ca -0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2c4k h SER 102 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2c4k h SER 102 CO 0.14 0.22 -0.14 0.11 -0.87 0.00 0.00 176.83 176.29 2c4k h LYS 103 N 0.00 0.00 -2.00 4.77 6.56 -1.88 -3.30 116.57 120.73 2c4k h LYS 103 Ca -0.00 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.27 2c4k h LYS 103 Cb 0.71 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.26 2c4k h LYS 103 CO 0.03 0.14 -0.06 1.04 -2.06 0.00 0.00 179.45 178.54 2c4k n GLN 104 N -3.29 2.16 -0.08 3.15 6.02 -0.20 -4.38 117.38 120.75 2c4k n GLN 104 Ca 0.00 -1.56 -0.09 0.00 -0.01 0.00 0.00 57.00 55.34 2c4k n GLN 104 Cb 0.38 -2.05 -0.12 0.00 1.02 0.00 0.00 30.24 29.47 2c4k n GLN 104 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2c4k n SER 105 N 1.80 1.20 -4.66 1.08 3.41 -1.24 -2.45 113.62 112.76 2c4k n SER 105 Ca 0.45 -0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.76 2c4k n SER 105 Cb 0.76 0.76 0.13 0.00 -0.26 0.00 0.00 64.21 65.60 2c4k n SER 105 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2c4k s LYS 106 N -2.39 1.22 -0.23 4.33 1.02 -1.26 -4.89 119.74 117.54 2c4k s LYS 106 Ca -0.10 0.08 -0.08 0.00 0.02 0.00 0.00 55.97 55.89 2c4k s LYS 106 Cb 0.05 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 2c4k s LYS 106 CO 0.64 -2.10 0.09 1.41 -0.92 0.00 0.00 175.35 174.46 2c4k s MET 107 N -5.50 3.81 0.00 1.68 -2.45 -1.26 -4.35 119.30 111.22 2c4k s MET 107 Ca 0.65 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.68 2c4k s MET 107 Cb -0.11 -3.34 0.00 0.00 1.25 0.00 0.00 34.83 32.63 2c4k s MET 107 CO 0.52 -0.03 0.00 0.54 1.05 0.00 0.00 175.02 177.10 2c4k n ARG 108 N 4.47 0.00 0.00 4.11 5.12 -1.26 -5.03 116.66 124.07 2c4k n ARG 108 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2c4k n ARG 108 Cb 0.52 -0.02 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 2c4k n ARG 108 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2c4k n LYS 109 N 0.00 0.00 -0.03 5.56 4.01 -1.26 -4.84 118.16 121.60 2c4k n LYS 109 Ca 0.00 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.88 2c4k n LYS 109 Cb 0.00 0.00 0.39 0.00 -0.51 0.00 0.00 35.03 34.91 2c4k n LYS 109 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2c4k n ARG 110 N 0.00 1.23 0.00 1.97 0.63 -1.26 -4.81 116.66 114.42 2c4k n ARG 110 Ca 0.00 -0.34 0.00 0.00 -0.92 0.00 0.00 57.85 56.59 2c4k n ARG 110 Cb 0.00 -1.27 0.00 0.00 0.45 0.00 0.00 32.46 31.64 2c4k n ARG 110 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2c4k n GLY 111 N 0.84 -2.94 3.46 5.14 0.00 -1.26 -5.10 105.19 105.34 2c4k n GLY 111 Ca 0.12 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 2c4k n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c4k s SER 112 N -1.87 -0.58 -1.37 1.61 1.04 -1.26 -4.96 113.70 106.32 2c4k s SER 112 Ca 0.00 0.25 -0.16 0.00 0.48 0.00 0.00 55.95 56.52 2c4k s SER 112 Cb 0.00 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.73 2c4k s SER 112 CO 0.00 -0.81 1.99 -0.38 0.98 0.00 0.00 173.24 175.01 2c4k n ILE 113 N 0.09 3.63 0.31 -1.02 5.41 -1.26 -4.78 119.36 121.74 2c4k n ILE 113 Ca -0.17 -3.48 0.06 0.00 1.00 0.00 0.00 62.75 60.16 2c4k n ILE 113 Cb 0.62 -2.47 0.28 0.00 -0.71 0.00 0.00 39.64 37.35 2c4k n ILE 113 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2c4k n VAL 114 N 5.78 1.26 0.09 1.39 0.24 -1.09 -1.15 118.33 124.85 2c4k n VAL 114 Ca 0.50 0.36 -0.02 0.00 -2.04 0.00 0.00 64.34 63.15 2c4k n VAL 114 Cb 0.42 -1.23 0.24 0.00 -1.47 0.00 0.00 33.84 31.80 2c4k n VAL 114 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c4k h LYS 116 N 0.23 0.16 -0.69 0.00 1.63 -1.40 -2.31 116.57 114.19 2c4k h LYS 116 Ca 0.03 -0.16 0.13 0.00 -0.85 0.00 0.00 60.65 59.79 2c4k h LYS 116 Cb 0.75 0.05 -0.13 0.00 -0.60 0.00 0.00 32.23 32.30 2c4k h LYS 116 CO 0.06 0.90 -0.23 1.25 -3.45 0.00 0.00 179.45 177.97 2c4k h LEU 117 N -0.52 -0.84 -0.98 5.20 5.85 -1.48 -0.36 115.31 122.18 2c4k h LEU 117 Ca -0.03 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2c4k h LEU 117 Cb 0.97 0.50 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 2c4k h LEU 117 CO 0.04 -0.26 0.41 0.25 -0.34 0.00 0.00 178.44 178.54 2c4k h LEU 118 N -0.05 1.02 -1.61 2.25 5.85 -1.23 -1.84 115.31 119.70 2c4k h LEU 118 Ca 0.31 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2c4k h LEU 118 Cb 0.54 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 2c4k h LEU 118 CO -0.73 0.84 -0.08 0.00 -0.34 0.00 0.00 178.44 178.13 2c4k h ALA 119 N 1.32 1.06 0.02 1.25 0.00 -0.52 -0.53 119.26 121.85 2c4k h ALA 119 Ca 0.28 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2c4k h ALA 119 Cb 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2c4k h ALA 119 CO -0.04 0.10 -0.31 0.77 0.00 0.00 0.00 179.25 179.77 2c4k h SER 120 N 0.00 0.24 -0.47 0.00 0.02 -0.46 -3.28 113.55 109.61 2c4k h SER 120 Ca -0.00 -0.82 -0.09 0.00 -0.84 0.00 0.00 61.79 60.03 2c4k h SER 120 Cb 0.49 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2c4k h SER 120 CO 0.01 1.04 -0.07 0.24 -1.14 0.00 0.00 176.83 176.91 2c4k h MET 121 N -0.52 0.88 -0.99 3.45 2.07 -1.01 -1.84 114.93 116.96 2c4k h MET 121 Ca -0.04 -0.32 0.19 0.00 -2.07 0.00 0.00 59.70 57.46 2c4k h MET 121 Cb 1.10 -0.06 -0.10 0.00 -1.87 0.00 0.00 31.60 30.67 2c4k h MET 121 CO 0.06 0.96 0.61 -0.07 1.07 0.00 0.00 176.91 179.54 2c4k h LEU 122 N 0.73 0.71 -0.09 1.22 4.07 -1.25 -0.09 115.31 120.61 2c4k h LEU 122 Ca 0.12 0.09 -0.19 0.00 0.08 0.00 0.00 57.88 57.97 2c4k h LEU 122 Cb 0.61 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 42.32 2c4k h LEU 122 CO 0.04 0.25 -0.70 0.00 -1.08 0.00 0.00 178.44 176.95 2c4k h ALA 123 N 1.63 0.21 -0.74 1.53 0.00 -1.45 -2.96 119.26 117.49 2c4k h ALA 123 Ca 0.56 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2c4k h ALA 123 Cb 0.97 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 2c4k h ALA 123 CO -0.34 0.53 0.37 0.87 0.00 0.00 0.00 179.25 180.69 2c4k h LYS 124 N 0.29 0.60 0.00 0.00 1.79 -0.59 0.18 116.57 118.84 2c4k h LYS 124 Ca -0.06 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2c4k h LYS 124 Cb 1.35 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2c4k h LYS 124 CO 0.14 0.40 0.00 0.00 -1.08 0.00 0.00 179.45 178.91 2c4k n ALA 125 N -2.41 1.60 -1.21 3.86 0.00 -0.12 -4.88 120.51 117.35 2c4k n ALA 125 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2c4k n ALA 125 Cb 0.29 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2c4k n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c4k n GLY 126 N -0.53 0.12 3.27 0.00 0.00 0.63 -1.48 105.19 107.21 2c4k n GLY 126 Ca 0.04 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2c4k n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2c4k s LEU 127 N -1.79 2.74 0.09 0.99 2.96 -1.12 -4.65 118.68 117.89 2c4k s LEU 127 Ca 0.00 -0.44 -0.17 0.00 -0.22 0.00 0.00 54.13 53.30 2c4k s LEU 127 Cb 0.00 -1.68 -0.09 0.00 0.50 0.00 0.00 46.19 44.92 2c4k s LEU 127 CO 0.00 -0.01 1.45 0.74 -1.32 0.00 0.00 176.35 177.21 2c4k h THR 128 N 5.75 1.30 -1.59 3.68 2.02 -0.82 -3.43 112.91 119.81 2c4k h THR 128 Ca -0.42 -1.22 0.22 0.00 0.77 0.00 0.00 66.41 65.76 2c4k h THR 128 Cb 1.16 1.52 -0.19 0.00 -1.74 0.00 0.00 68.15 68.89 2c4k h THR 128 CO 0.61 0.38 0.75 -1.38 0.37 0.00 0.00 175.52 176.25 2c4k s HIS 129 N -4.60 -0.18 -0.01 3.16 -3.43 -1.14 -4.12 115.29 104.98 2c4k s HIS 129 Ca -0.13 0.14 0.06 0.00 -0.80 0.00 0.00 55.06 54.33 2c4k s HIS 129 Cb 0.08 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.71 2c4k s HIS 129 CO 0.79 -0.26 -0.19 0.96 -2.00 0.00 0.00 174.74 174.04 2c4k s ILE 130 N -2.36 2.71 -0.07 -5.38 -5.25 -1.00 -1.03 121.20 108.82 2c4k s ILE 130 Ca 0.08 -0.96 -0.12 0.00 -0.99 0.00 0.00 60.65 58.65 2c4k s ILE 130 Cb -0.01 -2.06 -0.05 0.00 2.95 0.00 0.00 42.46 43.29 2c4k s ILE 130 CO -0.05 0.51 0.30 -0.63 -1.79 0.00 0.00 174.94 173.28 2c4k s ILE 131 N -0.76 5.24 0.31 8.37 1.01 0.56 -1.51 121.20 134.42 2c4k s ILE 131 Ca 0.12 0.58 -0.11 0.00 0.00 0.00 0.00 60.65 61.24 2c4k s ILE 131 Cb -0.10 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.78 2c4k s ILE 131 CO 0.01 0.55 0.55 0.28 0.00 0.00 0.00 174.94 176.34 2c4k s THR 132 N -0.74 0.00 -0.04 2.92 -1.32 -0.27 -1.50 115.64 114.69 2c4k s THR 132 Ca 0.19 -1.37 0.05 0.00 -1.21 0.00 0.00 61.69 59.35 2c4k s THR 132 Cb -0.14 -2.46 -0.00 0.00 -1.51 0.00 0.00 72.50 68.38 2c4k s THR 132 CO 0.08 0.00 -0.18 -0.04 -2.21 0.00 0.00 174.62 172.27 2c4k s MET 133 N -3.38 1.88 -1.12 7.08 -1.94 -0.89 -0.30 119.30 120.63 2c4k s MET 133 Ca 0.23 -0.65 -0.27 0.00 -1.71 0.00 0.00 55.69 53.29 2c4k s MET 133 Cb -0.02 -1.63 0.03 0.00 2.01 0.00 0.00 34.83 35.22 2c4k s MET 133 CO 0.13 0.27 0.67 -0.25 -0.01 0.00 0.00 175.02 175.83 2c4k n ASP 134 N 3.10 -4.36 -4.52 3.03 8.00 0.31 -4.76 116.55 117.35 2c4k n ASP 134 Ca -0.18 -1.22 -0.46 0.00 0.71 0.00 0.00 54.79 53.65 2c4k n ASP 134 Cb 0.53 -1.74 -0.02 0.00 -0.02 0.00 0.00 41.12 39.87 2c4k n ASP 134 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2c4k n LEU 135 N -4.48 0.62 -0.33 0.64 4.77 -1.26 -4.84 117.00 112.12 2c4k n LEU 135 Ca -0.16 1.16 0.14 0.00 -0.03 0.00 0.00 56.01 57.13 2c4k n LEU 135 Cb 0.59 -1.16 0.33 0.00 -2.33 0.00 0.00 43.42 40.86 2c4k n LEU 135 CO 0.72 -2.01 1.12 -0.74 -1.33 0.00 0.00 177.39 175.14 2c4k h HIS 136 N 1.60 0.87 -3.41 -1.77 -0.00 -1.89 -3.39 115.15 107.16 2c4k h HIS 136 Ca -0.35 0.04 -0.23 0.00 -0.00 0.00 0.00 60.37 59.83 2c4k h HIS 136 Cb 1.38 -0.24 -0.29 0.00 -0.00 0.00 0.00 27.41 28.26 2c4k h HIS 136 CO 0.45 0.05 -0.61 -0.65 -0.00 0.00 0.00 177.93 177.18 2c4k s GLN 137 N -5.84 0.10 0.29 5.26 -1.52 -1.26 -5.03 119.66 111.66 2c4k s GLN 137 Ca -0.11 0.22 0.12 0.00 -1.95 0.00 0.00 55.36 53.64 2c4k s GLN 137 Cb 0.26 -0.05 0.43 0.00 -0.22 0.00 0.00 33.01 33.43 2c4k s GLN 137 CO 0.79 -0.08 1.65 0.87 -0.25 0.00 0.00 175.29 178.27 2c4k h LYS 138 N 6.53 0.00 -0.66 2.91 1.57 -1.99 -1.74 116.57 123.19 2c4k h LYS 138 Ca -0.33 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.60 2c4k h LYS 138 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 2c4k h LYS 138 CO 0.44 0.56 0.45 1.05 -0.57 0.00 0.00 179.45 181.39 2c4k h GLU 139 N 0.00 0.24 -0.19 3.15 9.09 -1.95 -2.28 114.58 122.64 2c4k h GLU 139 Ca -0.01 -0.01 0.05 0.00 0.05 0.00 0.00 59.36 59.44 2c4k h GLU 139 Cb 1.02 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 28.06 2c4k h GLU 139 CO 0.07 0.16 0.18 0.82 0.05 0.00 0.00 179.01 180.29 2c4k h ILE 140 N 0.25 0.60 -0.57 -1.06 2.04 -1.73 -0.02 117.51 117.02 2c4k h ILE 140 Ca 0.32 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.35 2c4k h ILE 140 Cb 0.91 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2c4k h ILE 140 CO -0.07 0.00 0.50 -0.61 0.00 0.00 0.00 178.15 177.97 2c4k h GLN 141 N 0.00 0.00 0.00 2.37 4.15 -1.59 0.39 115.11 120.43 2c4k h GLN 141 Ca 0.09 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2c4k h GLN 141 Cb 0.44 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 2c4k h GLN 141 CO -0.00 0.00 -0.13 0.78 -1.93 0.00 0.00 178.83 177.55 2c4k h GLY 142 N 0.00 0.00 2.00 2.39 0.00 -1.20 -3.18 103.07 103.09 2c4k h GLY 142 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 2c4k h GLY 142 CO -0.00 0.00 -0.06 0.74 0.00 0.00 0.00 176.54 177.22 2c4k h PHE 143 N 0.00 0.00 -3.39 5.60 0.04 -0.38 -3.42 116.94 115.39 2c4k h PHE 143 Ca -0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 2c4k h PHE 143 Cb 0.28 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.34 2c4k h PHE 143 CO 0.00 0.06 -0.08 -0.06 -0.60 0.00 0.00 178.31 177.63 2c4k s PHE 144 N -4.34 3.45 -1.75 -0.55 0.40 -1.20 -4.69 117.98 109.30 2c4k s PHE 144 Ca -0.04 0.86 0.02 0.00 -0.60 0.00 0.00 56.93 57.17 2c4k s PHE 144 Cb 0.14 -2.62 0.08 0.00 0.51 0.00 0.00 43.02 41.13 2c4k s PHE 144 CO 0.55 0.04 0.97 -1.13 0.70 0.00 0.00 175.22 176.35 2c4k n SER 145 N 4.19 0.72 -4.17 1.36 3.41 -1.26 -4.80 113.62 113.07 2c4k n SER 145 Ca -0.06 -2.03 -0.11 0.00 -0.26 0.00 0.00 58.87 56.42 2c4k n SER 145 Cb 0.51 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 2c4k n SER 145 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2c4k s PHE 146 N -1.73 0.99 0.73 7.33 -0.12 -1.26 -5.13 117.98 118.78 2c4k s PHE 146 Ca 0.06 -1.29 -0.16 0.00 -0.05 0.00 0.00 56.93 55.50 2c4k s PHE 146 Cb 0.03 -0.50 0.04 0.00 -0.63 0.00 0.00 43.02 41.96 2c4k s PHE 146 CO 0.03 -0.59 1.24 -2.14 -0.05 0.00 0.00 175.22 173.72 2c4k s PRO 147 N -4.10 2.11 0.05 1.99 0.02 -1.26 -4.85 135.00 128.96 2c4k s PRO 147 Ca 0.31 1.89 0.02 0.00 0.02 0.00 0.00 61.00 63.24 2c4k s PRO 147 Cb 0.07 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.75 2c4k s PRO 147 CO 0.07 -1.89 -0.08 0.08 -0.33 0.00 0.00 177.00 174.85 2c4k s VAL 148 N -1.80 0.57 -0.26 3.83 1.01 -1.26 -2.36 120.40 120.13 2c4k s VAL 148 Ca 0.77 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2c4k s VAL 148 Cb -0.32 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 35.39 2c4k s VAL 148 CO 0.45 -0.44 -0.04 -1.81 0.00 0.00 0.00 175.10 173.26 2c4k s ASP 149 N -1.75 4.07 -0.97 3.32 1.11 -0.57 -5.00 116.67 116.89 2c4k s ASP 149 Ca -0.07 -1.35 -0.13 0.00 0.18 0.00 0.00 52.55 51.18 2c4k s ASP 149 Cb -0.08 -1.28 0.23 0.00 1.07 0.00 0.00 42.92 42.86 2c4k s ASP 149 CO -0.00 -0.25 0.98 0.21 1.18 0.00 0.00 175.17 177.29 2c4k s ASN 150 N 1.30 6.98 0.53 0.27 2.47 -1.26 -1.12 114.94 124.12 2c4k s ASN 150 Ca -0.04 -2.99 -0.18 0.00 0.42 0.00 0.00 52.86 50.08 2c4k s ASN 150 Cb -0.19 -2.24 -0.07 0.00 -1.45 0.00 0.00 41.25 37.30 2c4k s ASN 150 CO -0.07 -0.53 1.03 -0.76 -3.72 0.00 0.00 177.10 173.05 2c4k s LEU 151 N -0.00 3.68 0.02 3.21 1.43 0.59 -4.60 118.68 123.00 2c4k s LEU 151 Ca 0.26 1.79 -0.00 0.00 -1.03 0.00 0.00 54.13 55.15 2c4k s LEU 151 Cb -0.09 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.55 2c4k s LEU 151 CO -0.08 -0.85 0.14 -0.13 0.23 0.00 0.00 176.35 175.65 2c4k s ARG 152 N -3.72 3.22 -0.00 1.70 1.81 -1.26 0.11 118.95 120.81 2c4k s ARG 152 Ca 0.64 -0.47 0.21 0.00 -1.72 0.00 0.00 55.73 54.39 2c4k s ARG 152 Cb -0.14 -2.94 -0.24 0.00 -0.45 0.00 0.00 34.95 31.18 2c4k s ARG 152 CO 0.28 0.63 0.87 0.00 -0.68 0.00 0.00 175.30 176.41 2c4k n ALA 153 N 0.80 4.65 -0.21 2.13 0.00 -1.26 -4.63 120.51 121.99 2c4k n ALA 153 Ca -0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 53.44 52.66 2c4k n ALA 153 Cb 0.52 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 2c4k n ALA 153 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2c4k h SER 154 N 0.00 -1.48 -0.99 0.00 0.02 -1.97 -1.37 113.55 107.75 2c4k h SER 154 Ca 0.00 0.25 0.20 0.00 -0.84 0.00 0.00 61.79 61.40 2c4k h SER 154 Cb 0.53 0.68 -0.19 0.00 0.14 0.00 0.00 62.40 63.56 2c4k h SER 154 CO 0.00 -0.33 -0.23 -2.65 -1.14 0.00 0.00 176.83 172.47 2c4k n PRO 155 N -5.41 -0.09 0.00 3.45 -0.02 -1.26 0.29 135.00 131.96 2c4k n PRO 155 Ca 0.02 1.55 -0.12 0.00 -2.02 0.00 0.00 63.50 62.92 2c4k n PRO 155 Cb 0.35 -2.32 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 2c4k n PRO 155 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2c4k h PHE 156 N 0.00 -0.08 -0.76 6.00 -1.00 -1.64 -2.32 116.94 117.14 2c4k h PHE 156 Ca 0.48 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.36 2c4k h PHE 156 Cb 0.75 0.03 -0.07 0.00 3.61 0.00 0.00 35.95 40.27 2c4k h PHE 156 CO -0.75 0.49 0.40 -0.07 -1.61 0.00 0.00 178.31 176.77 2c4k h LEU 157 N -0.74 0.54 -0.48 1.54 3.38 -0.31 -0.71 115.31 118.53 2c4k h LEU 157 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2c4k h LEU 157 Cb 0.60 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2c4k h LEU 157 CO 0.01 0.31 0.31 -0.07 0.09 0.00 0.00 178.44 179.09 2c4k h LEU 158 N 0.67 0.56 -0.45 1.67 4.07 -0.24 -2.18 115.31 119.43 2c4k h LEU 158 Ca 0.37 -0.03 0.05 0.00 0.08 0.00 0.00 57.88 58.35 2c4k h LEU 158 Cb 0.37 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 2c4k h LEU 158 CO -0.26 0.43 0.19 -0.61 -1.08 0.00 0.00 178.44 177.11 2c4k h GLN 159 N 0.65 0.38 -0.69 1.13 -0.00 -0.76 -1.84 115.11 113.98 2c4k h GLN 159 Ca 0.18 -0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.86 2c4k h GLN 159 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 27.48 27.30 2c4k h GLN 159 CO -0.04 0.25 0.46 -0.92 0.00 0.00 0.00 178.83 178.58 2c4k h TYR 160 N 0.39 0.73 0.12 3.99 3.20 -0.93 -0.89 116.97 123.59 2c4k h TYR 160 Ca 0.20 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.11 2c4k h TYR 160 Cb 0.16 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 2c4k h TYR 160 CO -0.13 0.40 -0.31 0.82 -1.64 0.00 0.00 178.16 177.30 2c4k h ILE 161 N 0.73 0.33 -0.11 1.81 1.08 -0.69 -2.30 117.51 118.37 2c4k h ILE 161 Ca 0.29 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.76 2c4k h ILE 161 Cb 0.23 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 2c4k h ILE 161 CO -0.09 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.37 2c4k n GLN 162 N -5.41 1.50 -0.01 2.37 6.02 -0.78 -1.80 117.38 119.25 2c4k n GLN 162 Ca -0.07 -0.50 -0.02 0.00 -0.01 0.00 0.00 57.00 56.40 2c4k n GLN 162 Cb 0.32 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 2c4k n GLN 162 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2c4k n GLU 163 N 0.00 0.13 -2.64 -1.09 0.00 -0.41 -4.86 120.64 111.77 2c4k n GLU 163 Ca 0.04 0.05 -0.10 0.00 0.00 0.00 0.00 57.16 57.15 2c4k n GLU 163 Cb 0.28 -0.61 0.03 0.00 0.00 0.00 0.00 31.44 31.14 2c4k n GLU 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2c4k n GLU 164 N -3.10 1.76 -3.47 5.31 -0.58 -1.05 -4.89 120.64 114.62 2c4k n GLU 164 Ca -0.03 -3.55 -0.43 0.00 -0.42 0.00 0.00 57.16 52.73 2c4k n GLU 164 Cb 0.12 -1.54 -0.09 0.00 -0.57 0.00 0.00 31.44 29.37 2c4k n GLU 164 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2c4k s ILE 165 N -3.72 4.97 0.14 -3.67 1.01 -0.75 -4.99 121.20 114.19 2c4k s ILE 165 Ca 0.31 -1.03 -0.32 0.00 0.00 0.00 0.00 60.65 59.62 2c4k s ILE 165 Cb 0.41 -3.92 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 2c4k s ILE 165 CO -0.01 -0.47 1.79 -2.65 0.00 0.00 0.00 174.94 173.59 2c4k n PRO 166 N 5.12 2.70 -3.72 2.79 -0.02 -1.26 -2.96 135.00 137.64 2c4k n PRO 166 Ca -0.12 0.98 -0.25 0.00 -2.02 0.00 0.00 63.50 62.09 2c4k n PRO 166 Cb 0.44 -2.85 0.05 0.00 -0.02 0.00 0.00 33.50 31.13 2c4k n PRO 166 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2c4k n ASN 167 N 5.03 -4.08 -0.27 2.55 3.02 -1.26 -4.88 115.26 115.36 2c4k n ASN 167 Ca 0.18 -0.70 0.14 0.00 -0.03 0.00 0.00 54.58 54.17 2c4k n ASN 167 Cb 0.35 -4.40 0.41 0.00 -0.61 0.00 0.00 39.78 35.54 2c4k n ASN 167 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2c4k h TYR 168 N -2.19 0.77 -0.41 3.10 -0.00 -1.84 -2.00 116.97 114.40 2c4k h TYR 168 Ca -0.59 0.02 0.12 0.00 0.00 0.00 0.00 58.73 58.29 2c4k h TYR 168 Cb 1.37 -0.24 -0.02 0.00 0.00 0.00 0.00 36.73 37.84 2c4k h TYR 168 CO 0.51 0.24 0.33 0.07 -0.00 0.00 0.00 178.16 179.31 2c4k h ARG 169 N 0.61 0.00 0.00 0.10 -0.00 -1.90 0.96 114.38 114.16 2c4k h ARG 169 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.46 2c4k h ARG 169 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.86 2c4k h ARG 169 CO -0.22 0.00 0.00 -1.71 -0.00 0.00 0.00 179.97 178.04 2c4k n ASN 170 N -4.17 0.00 -4.82 0.08 2.85 -0.75 -4.90 115.26 103.55 2c4k n ASN 170 Ca 0.07 0.03 -0.31 0.00 -0.11 0.00 0.00 54.58 54.27 2c4k n ASN 170 Cb 0.52 -0.34 0.06 0.00 1.24 0.00 0.00 39.78 41.26 2c4k n ASN 170 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2c4k s ALA 171 N -2.68 2.55 -0.10 5.20 0.00 0.33 -3.87 121.76 123.20 2c4k s ALA 171 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 2c4k s ALA 171 Cb 0.19 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 20.21 2c4k s ALA 171 CO 0.46 -1.38 -0.04 0.54 0.00 0.00 0.00 175.76 175.34 2c4k s VAL 172 N -3.12 0.73 0.17 0.00 0.11 0.02 -4.39 120.40 113.92 2c4k s VAL 172 Ca 0.59 -0.12 -0.31 0.00 -2.93 0.00 0.00 61.98 59.21 2c4k s VAL 172 Cb -0.14 -0.82 -0.09 0.00 -1.53 0.00 0.00 36.38 33.80 2c4k s VAL 172 CO 0.54 0.30 1.43 -0.63 -3.33 0.00 0.00 175.10 173.41 2c4k s ILE 173 N 1.83 2.98 0.14 7.04 1.09 -1.07 -1.60 121.20 131.61 2c4k s ILE 173 Ca 0.05 0.75 0.10 0.00 -1.10 0.00 0.00 60.65 60.45 2c4k s ILE 173 Cb -0.13 -3.48 -0.04 0.00 -1.06 0.00 0.00 42.46 37.76 2c4k s ILE 173 CO -0.07 0.08 -0.24 -0.69 -0.10 0.00 0.00 174.94 173.92 2c4k s VAL 174 N 0.68 2.11 -0.23 2.92 1.01 0.38 -1.49 120.40 125.79 2c4k s VAL 174 Ca 0.63 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 2c4k s VAL 174 Cb -0.39 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.10 2c4k s VAL 174 CO 0.35 -0.03 -0.10 0.00 0.00 0.00 0.00 175.10 175.32 2c4k s ALA 175 N -1.31 2.62 0.45 5.51 0.00 -0.72 -1.21 121.76 127.10 2c4k s ALA 175 Ca 0.14 -1.38 0.26 0.00 0.00 0.00 0.00 51.96 50.98 2c4k s ALA 175 Cb -0.09 -1.56 1.30 0.00 0.00 0.00 0.00 23.12 22.77 2c4k s ALA 175 CO 0.06 -0.67 1.75 -0.22 0.00 0.00 0.00 175.76 176.68 2c4k h LYS 176 N 7.99 0.21 -3.22 0.00 3.64 -1.87 0.21 116.57 123.53 2c4k h LYS 176 Ca -0.36 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2c4k h LYS 176 Cb 1.12 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.80 2c4k h LYS 176 CO 0.59 0.14 0.09 -1.54 -2.27 0.00 0.00 179.45 176.45 2c4k s SER 177 N -5.06 -0.30 0.26 4.20 1.04 -1.25 -4.44 113.70 108.15 2c4k s SER 177 Ca -0.07 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 2c4k s SER 177 Cb 0.25 0.61 0.53 0.00 0.10 0.00 0.00 66.02 67.52 2c4k s SER 177 CO 0.81 -1.10 1.66 -0.65 0.98 0.00 0.00 173.24 174.93 2c4k h PRO 178 N 2.13 0.19 -1.00 4.02 0.11 -1.84 0.18 132.00 135.80 2c4k h PRO 178 Ca -0.27 -0.01 0.27 0.00 0.11 0.00 0.00 66.00 66.09 2c4k h PRO 178 Cb 1.27 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 2c4k h PRO 178 CO 0.34 0.13 0.68 0.22 -0.21 0.00 0.00 178.00 179.17 2c4k h ASP 179 N 0.20 0.21 -0.12 -2.05 1.82 -1.96 0.12 116.42 114.63 2c4k h ASP 179 Ca 0.46 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.13 2c4k h ASP 179 Cb 0.83 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.84 2c4k h ASP 179 CO -0.60 0.06 0.00 0.00 -1.61 0.00 0.00 179.24 177.09 2c4k n ALA 180 N -2.62 2.53 -0.34 -0.78 0.00 0.61 -4.36 120.51 115.55 2c4k n ALA 180 Ca 0.22 -0.54 0.03 0.00 0.00 0.00 0.00 53.44 53.15 2c4k n ALA 180 Cb 0.94 -1.08 0.21 0.00 0.00 0.00 0.00 19.45 19.52 2c4k n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c4k h ALA 181 N 4.23 1.46 -0.04 0.00 0.00 -0.50 -2.45 119.26 121.95 2c4k h ALA 181 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2c4k h ALA 181 Cb 0.56 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2c4k h ALA 181 CO 0.00 0.40 -0.08 0.87 0.00 0.00 0.00 179.25 180.45 2c4k h LYS 182 N 1.11 0.13 -0.94 0.00 1.57 -1.77 -1.09 116.57 115.57 2c4k h LYS 182 Ca 0.41 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 59.18 2c4k h LYS 182 Cb 0.18 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 2c4k h LYS 182 CO -0.16 0.64 0.60 0.00 -0.57 0.00 0.00 179.45 179.96 2c4k h ARG 183 N -0.37 1.03 -0.40 3.15 3.08 -1.83 -1.95 114.38 117.09 2c4k h ARG 183 Ca 0.00 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 2c4k h ARG 183 Cb 0.64 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2c4k h ARG 183 CO 0.02 0.68 -0.16 0.00 -1.07 0.00 0.00 179.97 179.44 2c4k h ALA 184 N 1.45 0.56 -0.98 0.04 0.00 -1.45 -3.17 119.26 115.70 2c4k h ALA 184 Ca 0.42 -0.35 0.19 0.00 0.00 0.00 0.00 54.91 55.16 2c4k h ALA 184 Cb 0.22 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 17.76 2c4k h ALA 184 CO -0.19 0.48 0.57 0.37 0.00 0.00 0.00 179.25 180.49 2c4k h GLN 185 N 0.62 0.70 0.00 0.00 -0.00 -0.41 -1.13 115.11 114.89 2c4k h GLN 185 Ca 0.09 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.62 2c4k h GLN 185 Cb 0.70 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 2c4k h GLN 185 CO 0.05 0.46 -0.37 1.03 0.00 0.00 0.00 178.83 180.00 2c4k h SER 186 N 0.72 0.00 0.10 -0.69 0.87 -1.46 -0.84 113.55 112.25 2c4k h SER 186 Ca 0.56 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.98 2c4k h SER 186 Cb 0.88 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.85 2c4k h SER 186 CO -0.39 0.37 -0.62 1.88 -0.53 0.00 0.00 176.83 177.54 2c4k h TYR 187 N 0.00 0.44 -0.20 2.24 -1.99 -1.31 -2.69 116.97 113.45 2c4k h TYR 187 Ca -0.00 -0.31 0.04 0.00 2.00 0.00 0.00 58.73 60.46 2c4k h TYR 187 Cb 0.69 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.35 2c4k h TYR 187 CO 0.00 1.22 -0.07 0.00 -0.00 0.00 0.00 178.16 179.30 2c4k h ALA 188 N 0.10 0.10 -0.79 3.88 0.00 -1.31 0.52 119.26 121.76 2c4k h ALA 188 Ca -0.10 0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2c4k h ALA 188 Cb 1.46 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.38 2c4k h ALA 188 CO 0.12 -0.50 0.46 1.49 0.00 0.00 0.00 179.25 180.81 2c4k h GLU 189 N -0.04 0.78 0.10 0.00 4.22 -1.25 -0.88 114.58 117.51 2c4k h GLU 189 Ca 0.10 -0.05 -0.28 0.00 0.08 0.00 0.00 59.36 59.22 2c4k h GLU 189 Cb 0.20 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2c4k h GLU 189 CO -0.23 0.51 -1.36 0.00 -2.18 0.00 0.00 179.01 175.75 2c4k h ARG 190 N 0.80 0.22 -0.00 1.92 3.08 -1.18 -3.30 114.38 115.92 2c4k h ARG 190 Ca 0.37 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2c4k h ARG 190 Cb 0.27 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2c4k h ARG 190 CO -0.21 1.12 -0.29 1.28 -1.07 0.00 0.00 179.97 180.79 2c4k n LEU 191 N -3.46 0.58 -2.66 3.04 4.77 0.15 -4.96 117.00 114.46 2c4k n LEU 191 Ca -0.11 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.67 2c4k n LEU 191 Cb 1.03 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.93 2c4k n LEU 191 CO 0.51 0.12 0.07 0.54 -1.33 0.00 0.00 177.39 177.30 2c4k n ARG 192 N -1.15 -4.84 -4.19 3.23 1.74 -0.42 -5.03 116.66 106.00 2c4k n ARG 192 Ca 0.09 0.72 -0.25 0.00 -0.77 0.00 0.00 57.85 57.64 2c4k n ARG 192 Cb 0.33 -5.24 -0.08 0.00 -1.02 0.00 0.00 32.46 26.45 2c4k n ARG 192 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2c4k s LEU 193 N -5.70 3.09 1.14 0.55 1.43 -0.71 -5.04 118.68 113.44 2c4k s LEU 193 Ca 0.33 -1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.18 2c4k s LEU 193 Cb -0.14 -1.39 0.26 0.00 0.03 0.00 0.00 46.19 44.95 2c4k s LEU 193 CO 0.40 -0.51 1.06 -0.83 0.23 0.00 0.00 176.35 176.70 2c4k s GLY 194 N -3.87 1.54 -0.14 -3.19 0.00 -1.26 -4.64 107.32 95.76 2c4k s GLY 194 Ca 0.40 -0.49 -0.07 0.00 0.00 0.00 0.00 44.72 44.56 2c4k s GLY 194 CO 0.22 0.26 0.32 -2.27 0.00 0.00 0.00 173.10 171.63 2c4k s LEU 195 N -6.95 0.13 0.32 0.66 2.96 -1.26 -2.60 118.68 111.94 2c4k s LEU 195 Ca 0.68 0.70 0.05 0.00 -0.22 0.00 0.00 54.13 55.34 2c4k s LEU 195 Cb -0.18 1.01 -0.06 0.00 0.50 0.00 0.00 46.19 47.45 2c4k s LEU 195 CO 0.59 -0.18 0.01 0.00 -1.32 0.00 0.00 176.35 175.45 2c4k s ALA 196 N 1.41 2.50 -0.06 5.97 0.00 -0.55 -4.86 121.76 126.17 2c4k s ALA 196 Ca -0.09 -2.05 -0.07 0.00 0.00 0.00 0.00 51.96 49.76 2c4k s ALA 196 Cb -0.10 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.44 2c4k s ALA 196 CO -0.10 -0.19 0.18 0.54 0.00 0.00 0.00 175.76 176.19 2c4k s VAL 197 N -3.09 0.01 0.07 0.00 0.11 -0.51 -1.75 120.40 115.24 2c4k s VAL 197 Ca 0.34 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.34 2c4k s VAL 197 Cb 0.07 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 2c4k s VAL 197 CO 0.15 -0.03 0.12 -0.63 -3.33 0.00 0.00 175.10 171.38 2c4k s ILE 198 N -0.04 4.83 -0.30 7.04 1.01 0.72 -0.61 121.20 133.85 2c4k s ILE 198 Ca -0.01 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.85 2c4k s ILE 198 Cb -0.02 -3.33 0.16 0.00 0.01 0.00 0.00 42.46 39.28 2c4k s ILE 198 CO 0.00 0.14 0.99 -1.38 0.00 0.00 0.00 174.94 174.69 2c4k s HIS 199 N -1.42 -0.64 0.00 3.97 -3.43 0.16 -3.86 115.29 110.07 2c4k s HIS 199 Ca 0.31 1.15 0.00 0.00 -0.80 0.00 0.00 55.06 55.72 2c4k s HIS 199 Cb -0.12 0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.41 2c4k s HIS 199 CO 0.24 -0.32 0.00 -0.35 -2.00 0.00 0.00 174.74 172.31 2c4k n PRO 239 N 4.62 0.00 0.00 -0.38 -0.04 -1.26 -2.85 135.00 135.09 2c4k n PRO 239 Ca -0.12 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.37 2c4k n PRO 239 Cb 0.54 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.12 2c4k n PRO 239 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2c4k n PRO 240 N -0.42 0.09 -1.54 0.54 -0.02 -1.26 -4.94 135.00 127.45 2c4k n PRO 240 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2c4k n PRO 240 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2c4k n PRO 240 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 2c4k n ILE 241 N -1.18 -0.57 -3.91 4.25 0.13 -1.13 -5.01 119.36 111.93 2c4k n ILE 241 Ca 0.03 0.04 -0.11 0.00 -1.10 0.00 0.00 62.75 61.61 2c4k n ILE 241 Cb 0.03 -1.25 -0.12 0.00 -0.84 0.00 0.00 39.64 37.46 2c4k n ILE 241 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2c4k s THR 242 N -0.08 0.05 0.19 9.51 -4.23 -1.24 -4.97 115.64 114.88 2c4k s THR 242 Ca 0.00 -0.45 -0.20 0.00 -1.18 0.00 0.00 61.69 59.86 2c4k s THR 242 Cb 0.00 -0.18 -0.08 0.00 1.34 0.00 0.00 72.50 73.58 2c4k s THR 242 CO 0.00 -0.25 0.70 0.68 -0.54 0.00 0.00 174.62 175.21 2c4k s VAL 243 N -0.75 4.59 -0.29 2.29 -7.23 -1.26 -0.66 120.40 117.09 2c4k s VAL 243 Ca -0.08 1.28 0.01 0.00 -1.81 0.00 0.00 61.98 61.37 2c4k s VAL 243 Cb -0.05 -3.88 0.06 0.00 0.56 0.00 0.00 36.38 33.07 2c4k s VAL 243 CO -0.00 0.28 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.35 2c4k s VAL 244 N -1.44 2.59 0.00 1.32 1.01 0.21 -4.98 120.40 119.12 2c4k s VAL 244 Ca 0.40 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2c4k s VAL 244 Cb -0.17 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2c4k s VAL 244 CO 0.21 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2c4k n GLY 245 N 4.50 4.03 3.69 4.51 0.00 -1.26 -1.42 105.19 119.23 2c4k n GLY 245 Ca -0.11 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2c4k n GLY 245 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c4k s ASP 246 N 0.00 6.86 0.00 1.61 1.11 -1.26 -4.86 116.67 120.12 2c4k s ASP 246 Ca 0.00 2.08 0.00 0.00 0.18 0.00 0.00 52.55 54.81 2c4k s ASP 246 Cb 0.00 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.43 2c4k s ASP 246 CO 0.00 -0.72 0.00 0.55 1.18 0.00 0.00 175.17 176.18 2c4k n VAL 247 N 4.72 0.00 -1.22 -1.27 3.14 -1.26 -4.89 118.33 117.56 2c4k n VAL 247 Ca 0.13 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.13 2c4k n VAL 247 Cb 0.44 -0.76 0.01 0.00 -1.06 0.00 0.00 33.84 32.47 2c4k n VAL 247 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2c4k n GLY 248 N 2.79 -2.97 2.65 7.55 0.00 -1.02 -2.65 105.19 111.54 2c4k n GLY 248 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2c4k n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c4k n GLY 249 N 2.37 1.23 3.09 -0.02 0.00 0.87 -4.94 105.19 107.78 2c4k n GLY 249 Ca 0.09 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2c4k n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c4k s ARG 250 N -2.97 0.60 -0.15 1.61 0.52 -1.08 -4.97 118.95 112.51 2c4k s ARG 250 Ca 0.00 -0.96 -0.29 0.00 -0.52 0.00 0.00 55.73 53.96 2c4k s ARG 250 Cb 0.00 -0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.27 2c4k s ARG 250 CO 0.00 0.01 1.27 -1.50 0.02 0.00 0.00 175.30 175.10 2c4k s ILE 251 N -2.29 4.24 0.14 1.52 2.07 -1.25 -2.75 121.20 122.90 2c4k s ILE 251 Ca -0.03 1.51 -0.27 0.00 -1.41 0.00 0.00 60.65 60.46 2c4k s ILE 251 Cb -0.04 -3.98 -0.07 0.00 0.13 0.00 0.00 42.46 38.50 2c4k s ILE 251 CO -0.02 -0.12 0.84 0.00 -1.91 0.00 0.00 174.94 173.73 2c4k s ALA 252 N 3.37 3.37 -0.22 1.50 0.00 0.30 -0.80 121.76 129.29 2c4k s ALA 252 Ca 0.56 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2c4k s ALA 252 Cb -0.23 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 19.88 2c4k s ALA 252 CO 0.16 0.17 -0.04 0.42 0.00 0.00 0.00 175.76 176.47 2c4k s ILE 253 N -0.71 1.32 -0.00 0.00 1.01 -0.63 -1.19 121.20 121.00 2c4k s ILE 253 Ca 0.39 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 59.80 2c4k s ILE 253 Cb -0.23 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2c4k s ILE 253 CO 0.27 -0.07 0.65 -0.63 0.00 0.00 0.00 174.94 175.17 2c4k s ILE 254 N 1.50 4.89 -0.03 2.92 1.01 0.18 0.14 121.20 131.82 2c4k s ILE 254 Ca -0.04 1.37 0.07 0.00 0.00 0.00 0.00 60.65 62.06 2c4k s ILE 254 Cb -0.18 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2c4k s ILE 254 CO -0.07 0.38 -0.25 -0.69 0.00 0.00 0.00 174.94 174.31 2c4k s VAL 255 N 0.00 2.02 0.25 2.92 1.01 -0.35 -0.03 120.40 126.23 2c4k s VAL 255 Ca 0.34 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 2c4k s VAL 255 Cb -0.19 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.55 2c4k s VAL 255 CO 0.19 0.57 0.80 -0.62 0.00 0.00 0.00 175.10 176.04 2c4k s ASP 256 N -0.50 -0.20 -0.09 3.32 -1.08 -0.79 -4.44 116.67 112.88 2c4k s ASP 256 Ca 0.07 -0.60 -0.13 0.00 -0.52 0.00 0.00 52.55 51.36 2c4k s ASP 256 Cb -0.11 0.67 -0.28 0.00 -1.46 0.00 0.00 42.92 41.74 2c4k s ASP 256 CO -0.00 -1.24 0.55 -2.24 0.52 0.00 0.00 175.17 172.76 2c4k h ASP 257 N 2.00 0.45 -4.30 -0.34 2.03 -1.95 -3.31 116.42 111.00 2c4k h ASP 257 Ca -0.22 -0.88 -0.51 0.00 -0.73 0.00 0.00 57.03 54.69 2c4k h ASP 257 Cb 1.24 -0.15 -0.25 0.00 -0.83 0.00 0.00 39.33 39.35 2c4k h ASP 257 CO 0.26 1.70 -0.82 -0.63 -1.03 0.00 0.00 179.24 178.72 2c4k s ILE 258 N -2.52 1.38 -0.49 4.15 1.01 -1.26 -0.64 121.20 122.83 2c4k s ILE 258 Ca -0.19 -1.10 0.04 0.00 0.00 0.00 0.00 60.65 59.40 2c4k s ILE 258 Cb 0.05 -1.22 0.13 0.00 0.01 0.00 0.00 42.46 41.43 2c4k s ILE 258 CO 0.79 0.10 0.23 -0.63 0.00 0.00 0.00 174.94 175.43 2c4k s ILE 259 N -0.83 2.36 0.00 2.92 1.01 -0.55 -4.96 121.20 121.16 2c4k s ILE 259 Ca 0.04 -3.08 0.00 0.00 0.00 0.00 0.00 60.65 57.61 2c4k s ILE 259 Cb -0.08 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2c4k s ILE 259 CO 0.02 -0.79 0.00 -0.67 0.00 0.00 0.00 174.94 173.50 2c4k n ASP 260 N 3.32 0.00 -4.39 3.58 2.03 -1.26 0.19 116.55 120.02 2c4k n ASP 260 Ca 0.05 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.92 2c4k n ASP 260 Cb 0.34 -0.02 -0.07 0.00 -0.72 0.00 0.00 41.12 40.65 2c4k n ASP 260 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2c4k s ASP 261 N -1.09 6.16 0.54 1.67 -1.08 -1.26 -2.38 116.67 119.23 2c4k s ASP 261 Ca 0.00 -1.30 0.36 0.00 -0.52 0.00 0.00 52.55 51.10 2c4k s ASP 261 Cb 0.00 -2.20 1.98 0.00 -1.46 0.00 0.00 42.92 41.24 2c4k s ASP 261 CO 0.00 -0.69 2.11 1.62 0.52 0.00 0.00 175.17 178.73 2c4k h VAL 262 N 5.78 0.00 -0.90 1.11 3.04 -1.90 -3.36 116.25 120.01 2c4k h VAL 262 Ca -0.28 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 65.55 2c4k h VAL 262 Cb 1.11 0.81 -0.15 0.00 -2.01 0.00 0.00 31.29 31.04 2c4k h VAL 262 CO 0.90 0.00 -0.36 -0.08 -1.01 0.00 0.00 177.57 177.02 2c4k h GLU 263 N 0.00 -0.04 0.00 4.17 4.22 -1.97 0.12 114.58 121.09 2c4k h GLU 263 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 2c4k h GLU 263 Cb 0.01 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2c4k h GLU 263 CO 0.00 -0.02 -0.03 0.66 -2.18 0.00 0.00 179.01 177.43 2c4k h SER 264 N -0.04 0.00 0.03 1.04 4.64 -2.00 -2.43 113.55 114.79 2c4k h SER 264 Ca 0.33 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.54 2c4k h SER 264 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 2c4k h SER 264 CO -0.92 0.03 -0.36 -0.26 -0.87 0.00 0.00 176.83 174.45 2c4k h PHE 265 N 0.00 0.52 0.35 4.77 0.04 -1.05 -2.39 116.94 119.18 2c4k h PHE 265 Ca -0.00 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 2c4k h PHE 265 Cb 0.86 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2c4k h PHE 265 CO 0.00 0.75 -0.17 0.28 -0.60 0.00 0.00 178.31 178.57 2c4k h VAL 266 N 0.38 0.23 -1.03 -0.55 2.07 -1.17 -2.80 116.25 113.38 2c4k h VAL 266 Ca 0.04 -0.72 0.27 0.00 0.82 0.00 0.00 66.70 67.11 2c4k h VAL 266 Cb 0.81 0.37 -0.12 0.00 -1.52 0.00 0.00 31.29 30.83 2c4k h VAL 266 CO 0.07 0.06 0.63 0.00 0.02 0.00 0.00 177.57 178.34 2c4k h ALA 267 N -0.91 1.98 -0.89 1.67 0.00 -1.51 0.79 119.26 120.39 2c4k h ALA 267 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2c4k h ALA 267 Cb 0.45 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2c4k h ALA 267 CO 0.08 -0.46 0.57 0.00 0.00 0.00 0.00 179.25 179.44 2c4k h ALA 268 N 1.71 1.13 -0.04 0.00 0.00 -1.51 -2.75 119.26 117.79 2c4k h ALA 268 Ca 0.65 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 55.28 2c4k h ALA 268 Cb 1.42 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2c4k h ALA 268 CO -0.44 0.55 -0.82 0.00 0.00 0.00 0.00 179.25 178.54 2c4k h ALA 269 N 1.31 0.50 -0.07 0.00 0.00 0.83 -1.01 119.26 120.82 2c4k h ALA 269 Ca 0.32 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2c4k h ALA 269 Cb -0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2c4k h ALA 269 CO -0.07 0.79 -0.07 0.93 0.00 0.00 0.00 179.25 180.84 2c4k h GLU 270 N 0.25 0.17 -0.69 0.00 4.39 -1.23 -1.27 114.58 116.20 2c4k h GLU 270 Ca -0.05 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 2c4k h GLU 270 Cb 1.42 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.05 2c4k h GLU 270 CO 0.14 0.61 0.17 0.97 -1.16 0.00 0.00 179.01 179.74 2c4k h ILE 271 N -0.26 1.26 0.02 3.13 6.09 -1.51 0.20 117.51 126.44 2c4k h ILE 271 Ca 0.01 -0.95 0.02 0.00 -1.37 0.00 0.00 64.86 62.57 2c4k h ILE 271 Cb 0.58 0.54 -0.03 0.00 0.47 0.00 0.00 36.82 38.37 2c4k h ILE 271 CO 0.02 0.37 -0.19 -0.07 -3.07 0.00 0.00 178.15 175.21 2c4k h LEU 272 N 1.05 -0.54 -0.36 2.19 3.38 -1.21 -2.17 115.31 117.64 2c4k h LEU 272 Ca 0.22 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.34 2c4k h LEU 272 Cb 0.36 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 2c4k h LEU 272 CO 0.00 -0.25 -0.19 0.50 0.09 0.00 0.00 178.44 178.59 2c4k h LYS 273 N -0.31 -0.13 0.00 1.13 1.63 -0.88 -1.47 116.57 116.54 2c4k h LYS 273 Ca 0.05 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2c4k h LYS 273 Cb 0.38 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2c4k h LYS 273 CO -0.16 -0.09 0.00 -1.91 -3.45 0.00 0.00 179.45 173.84 2c4k n GLU 274 N -5.37 0.06 -0.38 1.90 2.13 0.66 -0.63 120.64 119.00 2c4k n GLU 274 Ca 0.01 0.29 0.08 0.00 0.66 0.00 0.00 57.16 58.20 2c4k n GLU 274 Cb 0.28 -1.50 0.23 0.00 0.27 0.00 0.00 31.44 30.72 2c4k n GLU 274 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2c4k n ARG 275 N -1.37 2.94 -1.70 5.31 5.12 -0.62 -4.97 116.66 121.37 2c4k n ARG 275 Ca 0.03 -2.65 0.00 0.00 -1.93 0.00 0.00 57.85 53.30 2c4k n ARG 275 Cb 0.06 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 2c4k n ARG 275 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2c4k n GLY 276 N -0.24 0.92 3.54 -0.13 0.00 0.19 -2.43 105.19 107.04 2c4k n GLY 276 Ca 0.19 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2c4k n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c4k s ALA 277 N -2.49 3.46 0.02 4.61 0.00 -0.80 -0.09 121.76 126.47 2c4k s ALA 277 Ca 0.00 -1.14 0.10 0.00 0.00 0.00 0.00 51.96 50.93 2c4k s ALA 277 Cb 0.00 -3.01 -0.19 0.00 0.00 0.00 0.00 23.12 19.92 2c4k s ALA 277 CO 0.00 -1.30 1.05 0.10 0.00 0.00 0.00 175.76 175.61 2c4k h TYR 278 N 8.54 0.00 -3.95 0.00 -0.00 -1.85 -3.38 116.97 116.32 2c4k h TYR 278 Ca -0.28 0.00 -0.46 0.00 0.00 0.00 0.00 58.73 57.99 2c4k h TYR 278 Cb 1.12 0.00 -0.30 0.00 0.00 0.00 0.00 36.73 37.55 2c4k h TYR 278 CO 0.70 0.92 -0.80 0.15 -0.00 0.00 0.00 178.16 179.13 2c4k s LYS 279 N -2.71 1.11 -0.20 0.10 -0.14 -1.26 -5.02 119.74 111.62 2c4k s LYS 279 Ca -0.01 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.20 2c4k s LYS 279 Cb 0.09 -1.03 0.02 0.00 -1.68 0.00 0.00 37.83 35.23 2c4k s LYS 279 CO 0.81 0.19 -0.16 0.42 -0.76 0.00 0.00 175.35 175.86 2c4k s ILE 280 N -0.01 2.29 -0.12 2.17 -1.09 -1.26 0.11 121.20 123.28 2c4k s ILE 280 Ca -0.00 -0.97 -0.01 0.00 -2.23 0.00 0.00 60.65 57.43 2c4k s ILE 280 Cb -0.08 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.75 2c4k s ILE 280 CO 0.00 0.43 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.75 2c4k s TYR 281 N 1.29 2.89 -0.25 3.97 1.51 -0.34 -1.27 117.35 125.15 2c4k s TYR 281 Ca 0.03 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.61 2c4k s TYR 281 Cb -0.14 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 2c4k s TYR 281 CO -0.10 -0.05 0.08 0.08 -1.11 0.00 0.00 175.55 174.44 2c4k s VAL 282 N 0.13 4.35 -0.08 0.71 1.01 -0.60 0.52 120.40 126.43 2c4k s VAL 282 Ca -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2c4k s VAL 282 Cb -0.14 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2c4k s VAL 282 CO 0.04 0.33 0.01 -0.04 0.00 0.00 0.00 175.10 175.43 2c4k s MET 283 N 1.62 2.99 0.20 2.72 -1.94 0.96 -0.61 119.30 125.25 2c4k s MET 283 Ca 0.06 -0.40 -0.22 0.00 -1.71 0.00 0.00 55.69 53.42 2c4k s MET 283 Cb -0.15 -2.81 0.05 0.00 2.01 0.00 0.00 34.83 33.94 2c4k s MET 283 CO 0.04 0.70 0.64 0.00 -0.01 0.00 0.00 175.02 176.39 2c4k s ALA 284 N -0.90 -1.46 -0.14 3.03 0.00 -0.75 -1.89 121.76 119.65 2c4k s ALA 284 Ca 0.14 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.16 2c4k s ALA 284 Cb -0.11 0.87 -0.12 0.00 0.00 0.00 0.00 23.12 23.76 2c4k s ALA 284 CO 0.03 -0.86 0.21 1.15 0.00 0.00 0.00 175.76 176.28 2c4k h THR 285 N 2.01 0.67 -3.40 0.00 2.02 -1.10 -3.30 112.91 109.81 2c4k h THR 285 Ca -0.29 -1.62 -0.72 0.00 0.77 0.00 0.00 66.41 64.55 2c4k h THR 285 Cb 1.29 1.39 -0.25 0.00 -1.74 0.00 0.00 68.15 68.83 2c4k h THR 285 CO 0.33 0.23 -0.41 -1.00 0.37 0.00 0.00 175.52 175.04 2c4k s HIS 286 N -2.07 3.29 -1.03 3.16 3.76 0.19 -2.56 115.29 120.02 2c4k s HIS 286 Ca -0.15 -1.22 -0.08 0.00 -0.15 0.00 0.00 55.06 53.46 2c4k s HIS 286 Cb 0.01 -3.00 0.26 0.00 1.11 0.00 0.00 32.58 30.96 2c4k s HIS 286 CO 0.37 -0.81 0.99 0.20 -0.85 0.00 0.00 174.74 174.64 2c4k s GLY 287 N 2.27 3.13 -0.07 -2.22 0.00 -1.26 -1.48 107.32 107.70 2c4k s GLY 287 Ca 0.03 -3.79 -0.07 0.00 0.00 0.00 0.00 44.72 40.89 2c4k s GLY 287 CO 0.04 1.29 0.59 0.16 0.00 0.00 0.00 173.10 175.18 2c4k h ILE 288 N 3.89 0.85 -6.15 0.90 3.07 -1.80 -3.45 117.51 114.83 2c4k h ILE 288 Ca 0.16 -2.50 -0.42 0.00 1.55 0.00 0.00 64.86 63.65 2c4k h ILE 288 Cb 0.88 2.65 0.06 0.00 -0.27 0.00 0.00 36.82 40.14 2c4k h ILE 288 CO 0.95 0.85 -0.88 0.18 -1.05 0.00 0.00 178.15 178.20 2c4k n LEU 289 N -3.50 -3.09 -4.79 0.16 4.77 0.13 -4.89 117.00 105.78 2c4k n LEU 289 Ca -0.26 -0.91 -0.34 0.00 -0.03 0.00 0.00 56.01 54.48 2c4k n LEU 289 Cb 1.06 -2.55 -0.02 0.00 -2.33 0.00 0.00 43.42 39.59 2c4k n LEU 289 CO 0.48 0.41 0.73 -0.94 -1.33 0.00 0.00 177.39 176.74 2c4k s SER 290 N -3.99 6.08 0.62 -1.43 1.04 -1.00 -4.51 113.70 110.52 2c4k s SER 290 Ca 0.20 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.60 2c4k s SER 290 Cb -0.06 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2c4k s SER 290 CO 0.84 -0.96 0.00 0.00 0.98 0.00 0.00 173.24 174.09 2c4k n ALA 291 N -1.24 0.00 -0.19 5.32 0.00 -1.26 -3.35 120.51 119.79 2c4k n ALA 291 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 2c4k n ALA 291 Cb 0.52 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.03 2c4k n ALA 291 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2c4k n GLU 292 N 12.84 1.56 -0.18 0.00 0.00 -1.26 -4.50 120.64 129.10 2c4k n GLU 292 Ca 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 57.16 55.83 2c4k n GLU 292 Cb 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 31.44 29.97 2c4k n GLU 292 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2c4k h ALA 293 N 1.54 0.68 -0.14 -1.84 0.00 -1.78 -2.54 119.26 115.17 2c4k h ALA 293 Ca 0.26 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2c4k h ALA 293 Cb 1.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2c4k h ALA 293 CO 0.51 0.18 -0.18 -1.35 0.00 0.00 0.00 179.25 178.40 2c4k h PRO 294 N 0.71 0.23 0.33 0.00 0.11 -1.83 -1.93 132.00 129.63 2c4k h PRO 294 Ca 0.19 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 2c4k h PRO 294 Cb 0.01 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2c4k h PRO 294 CO -0.03 0.42 -0.16 -0.09 -0.21 0.00 0.00 178.00 177.92 2c4k h ARG 295 N 0.22 -0.43 -0.67 1.05 2.43 -1.86 -3.04 114.38 112.08 2c4k h ARG 295 Ca 0.04 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.39 2c4k h ARG 295 Cb 0.46 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2c4k h ARG 295 CO 0.03 -0.14 0.46 -0.07 -1.51 0.00 0.00 179.97 178.74 2c4k h LEU 296 N -0.71 0.23 -0.26 3.80 3.38 -1.16 -1.12 115.31 119.46 2c4k h LEU 296 Ca -0.05 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2c4k h LEU 296 Cb 0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2c4k h LEU 296 CO 0.07 0.12 -0.15 0.40 0.09 0.00 0.00 178.44 178.98 2c4k h ILE 297 N 0.24 1.30 0.32 1.22 2.04 -1.37 -1.21 117.51 120.06 2c4k h ILE 297 Ca 0.32 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 2c4k h ILE 297 Cb 0.93 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 2c4k h ILE 297 CO -0.07 0.39 -0.52 -0.33 0.00 0.00 0.00 178.15 177.63 2c4k h GLU 298 N 0.29 -0.85 -0.06 2.37 4.39 -1.11 -2.94 114.58 116.66 2c4k h GLU 298 Ca 0.06 0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.83 2c4k h GLU 298 Cb 0.67 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2c4k h GLU 298 CO 0.04 -0.57 0.06 0.93 -1.16 0.00 0.00 179.01 178.32 2c4k h GLU 299 N -0.89 0.00 -7.47 2.33 4.39 -1.33 -3.43 114.58 108.18 2c4k h GLU 299 Ca -0.03 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.20 2c4k h GLU 299 Cb 0.82 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.57 2c4k h GLU 299 CO -0.17 0.00 0.31 -1.54 -1.16 0.00 0.00 179.01 176.45 2c4k s SER 300 N -6.07 4.50 0.00 1.42 1.04 -0.46 -5.01 113.70 109.12 2c4k s SER 300 Ca -0.05 0.53 0.28 0.00 0.48 0.00 0.00 55.95 57.19 2c4k s SER 300 Cb 0.15 -1.05 1.00 0.00 0.10 0.00 0.00 66.02 66.22 2c4k s SER 300 CO 0.55 -1.84 1.72 -1.54 0.98 0.00 0.00 173.24 173.11 2c4k n SER 301 N -3.16 1.59 -4.71 7.02 3.41 -1.26 -4.87 113.62 111.64 2c4k n SER 301 Ca 0.09 -1.53 -0.42 0.00 -0.26 0.00 0.00 58.87 56.75 2c4k n SER 301 Cb 0.61 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 2c4k n SER 301 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2c4k s VAL 302 N -2.00 2.46 0.00 -3.33 0.11 -1.26 -4.68 120.40 111.69 2c4k s VAL 302 Ca 0.37 0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 59.48 2c4k s VAL 302 Cb 0.21 -3.12 -0.33 0.00 -1.53 0.00 0.00 36.38 31.62 2c4k s VAL 302 CO 0.33 0.01 0.87 0.44 -3.33 0.00 0.00 175.10 173.42 2c4k h ASP 303 N 7.63 0.69 -4.10 3.54 3.45 -1.52 -3.47 116.42 122.64 2c4k h ASP 303 Ca -0.44 -0.86 -0.15 0.00 0.43 0.00 0.00 57.03 56.01 2c4k h ASP 303 Cb 1.21 -0.23 -0.24 0.00 -0.56 0.00 0.00 39.33 39.51 2c4k h ASP 303 CO 0.94 1.69 -0.39 -0.70 -1.57 0.00 0.00 179.24 179.22 2c4k s GLU 304 N -2.60 0.38 -0.14 3.56 2.12 -1.13 -4.88 118.70 116.02 2c4k s GLU 304 Ca -0.11 0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.47 2c4k s GLU 304 Cb 0.05 0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.63 2c4k s GLU 304 CO 0.90 -0.07 -0.22 0.08 -0.54 0.00 0.00 175.26 175.42 2c4k s VAL 305 N -0.20 2.02 -0.20 3.70 1.01 -0.37 -1.56 120.40 124.80 2c4k s VAL 305 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2c4k s VAL 305 Cb -0.03 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.58 2c4k s VAL 305 CO 0.01 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 174.81 2c4k s VAL 306 N 0.82 2.36 0.35 2.92 1.01 0.22 -0.08 120.40 128.01 2c4k s VAL 306 Ca -0.07 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.98 2c4k s VAL 306 Cb -0.16 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2c4k s VAL 306 CO -0.02 0.41 0.07 0.68 0.00 0.00 0.00 175.10 176.25 2c4k s VAL 307 N 1.30 1.04 0.26 2.92 -7.23 -0.97 -1.80 120.40 115.92 2c4k s VAL 307 Ca 0.03 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 2c4k s VAL 307 Cb -0.14 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2c4k s VAL 307 CO -0.10 0.00 0.39 0.42 -0.31 0.00 0.00 175.10 175.50 2c4k s THR 308 N -3.26 5.23 -0.19 5.32 -4.23 -1.06 0.15 115.64 117.60 2c4k s THR 308 Ca 0.32 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2c4k s THR 308 Cb 0.07 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2c4k s THR 308 CO 0.15 -0.36 0.78 -0.46 -0.54 0.00 0.00 174.62 174.19 2c4k n ASN 309 N -1.46 2.26 -0.30 3.99 6.94 -0.65 -4.08 115.26 121.96 2c4k n ASN 309 Ca -0.08 -1.73 -0.05 0.00 -0.02 0.00 0.00 54.58 52.70 2c4k n ASN 309 Cb 0.57 -0.43 0.07 0.00 -2.36 0.00 0.00 39.78 37.63 2c4k n ASN 309 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2c4k h THR 310 N 0.11 1.23 -3.95 5.53 1.03 -1.86 -3.42 112.91 111.58 2c4k h THR 310 Ca 0.00 -0.54 -0.68 0.00 -0.01 0.00 0.00 66.41 65.18 2c4k h THR 310 Cb 0.78 0.13 -0.22 0.00 -1.07 0.00 0.00 68.15 67.76 2c4k h THR 310 CO 0.00 0.25 -0.87 0.68 -0.01 0.00 0.00 175.52 175.57 2c4k s VAL 311 N -5.92 2.21 0.30 0.00 -7.23 -1.26 -4.27 120.40 104.23 2c4k s VAL 311 Ca -0.13 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.04 2c4k s VAL 311 Cb 0.16 -1.95 -0.11 0.00 0.56 0.00 0.00 36.38 35.04 2c4k s VAL 311 CO 0.80 0.11 1.46 -2.84 -0.31 0.00 0.00 175.10 174.33 2c4k s PRO 312 N -1.97 4.21 -0.02 4.82 0.02 -1.26 -4.80 135.00 136.01 2c4k s PRO 312 Ca 0.13 2.41 0.02 0.00 0.02 0.00 0.00 61.00 63.58 2c4k s PRO 312 Cb -0.10 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 2c4k s PRO 312 CO 0.05 -0.45 0.02 0.72 -0.33 0.00 0.00 177.00 177.01 2c4k n HIS 313 N 1.65 0.00 -0.33 6.54 8.25 -1.26 -4.93 115.22 125.14 2c4k n HIS 313 Ca 0.05 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.78 2c4k n HIS 313 Cb 0.40 -0.10 0.51 0.00 1.12 0.00 0.00 29.99 31.92 2c4k n HIS 313 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2c4k h GLU 314 N 0.00 0.01 -0.30 -0.41 4.39 -1.97 0.96 114.58 117.26 2c4k h GLU 314 Ca -0.04 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 2c4k h GLU 314 Cb 0.86 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2c4k h GLU 314 CO 0.00 0.01 -0.29 0.28 -1.16 0.00 0.00 179.01 177.85 2c4k h VAL 315 N 0.01 1.28 0.00 3.13 2.07 -2.00 -2.36 116.25 118.39 2c4k h VAL 315 Ca 0.79 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2c4k h VAL 315 Cb 1.99 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2c4k h VAL 315 CO -0.80 0.45 -0.55 1.56 0.02 0.00 0.00 177.57 178.24 2c4k h GLN 316 N 0.54 0.00 -0.01 1.57 4.20 0.57 -2.48 115.11 119.51 2c4k h GLN 316 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2c4k h GLN 316 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2c4k h GLN 316 CO 0.06 0.00 -0.62 0.36 -0.67 0.00 0.00 178.83 177.96 2c4k n LYS 317 N -2.20 0.53 0.02 1.46 2.85 -1.11 -2.77 118.16 116.94 2c4k n LYS 317 Ca 0.03 -0.40 -0.18 0.00 -1.05 0.00 0.00 58.31 56.71 2c4k n LYS 317 Cb 0.45 -1.49 -0.12 0.00 -0.65 0.00 0.00 35.03 33.21 2c4k n LYS 317 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2c4k h LEU 318 N 0.98 0.49 -0.50 -5.58 4.07 -1.28 -3.29 115.31 110.19 2c4k h LEU 318 Ca 0.00 -0.83 0.08 0.00 0.08 0.00 0.00 57.88 57.20 2c4k h LEU 318 Cb 0.58 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.11 2c4k h LEU 318 CO 0.00 1.27 0.15 1.56 -1.08 0.00 0.00 178.44 180.34 2c4k h GLN 319 N -0.23 0.30 -3.73 1.13 7.50 -1.52 -3.39 115.11 115.17 2c4k h GLN 319 Ca -0.10 -0.02 -0.59 0.00 0.50 0.00 0.00 58.65 58.44 2c4k h GLN 319 Cb 1.42 -0.07 -0.40 0.00 0.05 0.00 0.00 27.48 28.48 2c4k h GLN 319 CO 0.13 0.20 -0.75 0.00 -1.50 0.00 0.00 178.83 176.91 2c4k n PRO 321 N 4.77 0.29 0.28 0.00 -0.04 -1.24 -1.95 135.00 137.11 2c4k n PRO 321 Ca -0.02 0.08 0.18 0.00 -0.04 0.00 0.00 63.50 63.70 2c4k n PRO 321 Cb 0.42 -1.50 0.95 0.00 -0.04 0.00 0.00 33.50 33.33 2c4k n PRO 321 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2c4k h LYS 322 N 0.00 0.00 -5.37 0.54 3.64 -1.89 -3.40 116.57 110.09 2c4k h LYS 322 Ca 0.00 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 2c4k h LYS 322 Cb 0.23 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.90 2c4k h LYS 322 CO 0.00 0.00 0.32 0.42 -2.27 0.00 0.00 179.45 177.92 2c4k s ILE 323 N -4.42 4.61 0.15 2.00 1.01 -0.82 -1.24 121.20 122.49 2c4k s ILE 323 Ca -0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 2c4k s ILE 323 Cb 0.14 -4.46 -0.06 0.00 0.01 0.00 0.00 42.46 38.09 2c4k s ILE 323 CO 0.47 -1.03 0.46 -0.75 0.00 0.00 0.00 174.94 174.08 2c4k s LYS 324 N 3.34 3.77 -0.06 2.79 2.47 0.89 -4.94 119.74 128.00 2c4k s LYS 324 Ca 0.22 0.19 0.03 0.00 -1.56 0.00 0.00 55.97 54.85 2c4k s LYS 324 Cb -0.17 -2.85 0.01 0.00 -1.46 0.00 0.00 37.83 33.36 2c4k s LYS 324 CO 0.14 0.46 -0.15 -0.08 0.16 0.00 0.00 175.35 175.88 2c4k s THR 325 N -1.59 1.30 -0.18 3.43 -1.32 -1.26 -2.28 115.64 113.75 2c4k s THR 325 Ca 0.40 -0.59 -0.09 0.00 -1.21 0.00 0.00 61.69 60.19 2c4k s THR 325 Cb -0.13 -1.16 -0.05 0.00 -1.51 0.00 0.00 72.50 69.65 2c4k s THR 325 CO 0.21 0.39 0.11 0.68 -2.21 0.00 0.00 174.62 173.79 2c4k s VAL 326 N 0.48 5.22 0.16 5.08 -7.23 0.39 -4.92 120.40 119.57 2c4k s VAL 326 Ca -0.13 0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.86 2c4k s VAL 326 Cb -0.15 -3.36 -0.07 0.00 0.56 0.00 0.00 36.38 33.36 2c4k s VAL 326 CO 0.04 0.47 1.09 -0.62 -0.31 0.00 0.00 175.10 175.77 2c4k s ASP 327 N 0.18 7.28 0.00 4.85 2.15 -1.26 -1.64 116.67 128.23 2c4k s ASP 327 Ca 0.07 2.04 0.00 0.00 0.43 0.00 0.00 52.55 55.09 2c4k s ASP 327 Cb -0.11 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2c4k s ASP 327 CO -0.01 -0.22 0.11 0.00 -0.17 0.00 0.00 175.17 174.88 2c4k n ILE 328 N 2.57 0.00 0.32 4.11 0.13 -1.26 -4.77 119.36 120.46 2c4k n ILE 328 Ca 0.03 -0.33 0.15 0.00 -1.10 0.00 0.00 62.75 61.50 2c4k n ILE 328 Cb 0.47 1.11 0.78 0.00 -0.84 0.00 0.00 39.64 41.16 2c4k n ILE 328 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 2c4k h SER 329 N 0.00 0.00 -0.03 9.51 4.64 -1.93 -2.13 113.55 123.61 2c4k h SER 329 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2c4k h SER 329 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2c4k h SER 329 CO 0.00 0.00 -0.09 0.25 -0.87 0.00 0.00 176.83 176.12 2c4k h LEU 330 N 0.00 0.13 -1.15 5.97 6.46 -1.96 0.42 115.31 125.18 2c4k h LEU 330 Ca 0.00 -0.62 0.07 0.00 -0.12 0.00 0.00 57.88 57.21 2c4k h LEU 330 Cb 0.64 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.47 2c4k h LEU 330 CO 0.00 0.72 0.59 -0.29 -0.62 0.00 0.00 178.44 178.84 2c4k h ILE 331 N -0.46 1.06 -0.01 4.05 2.10 -1.76 0.09 117.51 122.58 2c4k h ILE 331 Ca -0.00 -0.35 -0.02 0.00 1.08 0.00 0.00 64.86 65.57 2c4k h ILE 331 Cb 0.71 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.40 2c4k h ILE 331 CO 0.02 0.19 -0.08 -0.07 -1.08 0.00 0.00 178.15 177.13 2c4k h LEU 332 N 1.02 0.09 -0.94 2.19 3.38 -1.53 -1.44 115.31 118.07 2c4k h LEU 332 Ca 0.39 -0.70 0.13 0.00 0.09 0.00 0.00 57.88 57.79 2c4k h LEU 332 Cb 0.20 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.79 2c4k h LEU 332 CO -0.15 0.77 -0.45 -1.28 0.09 0.00 0.00 178.44 177.43 2c4k h SER 333 N -0.59 -1.63 0.61 -0.43 0.87 0.11 -1.02 113.55 111.47 2c4k h SER 333 Ca -0.01 0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2c4k h SER 333 Cb 0.77 0.80 -0.01 0.00 -0.44 0.00 0.00 62.40 63.53 2c4k h SER 333 CO 0.02 -0.28 -0.39 -0.33 -0.53 0.00 0.00 176.83 175.31 2c4k h GLU 334 N -0.03 -0.92 -0.69 2.24 4.39 -0.96 -1.53 114.58 117.08 2c4k h GLU 334 Ca 0.28 0.06 0.13 0.00 0.34 0.00 0.00 59.36 60.17 2c4k h GLU 334 Cb 0.54 0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 29.31 2c4k h GLU 334 CO -0.94 -0.61 0.22 0.00 -1.16 0.00 0.00 179.01 176.52 2c4k h ALA 335 N -0.67 0.91 -0.75 3.43 0.00 -0.79 0.26 119.26 121.66 2c4k h ALA 335 Ca -0.07 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2c4k h ALA 335 Cb 0.78 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2c4k h ALA 335 CO 0.06 -0.26 0.43 0.82 0.00 0.00 0.00 179.25 180.31 2c4k h ILE 336 N 0.35 1.22 -0.91 0.00 2.04 -1.15 -2.78 117.51 116.28 2c4k h ILE 336 Ca 0.38 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2c4k h ILE 336 Cb 0.57 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2c4k h ILE 336 CO -0.42 0.24 0.52 -0.09 0.00 0.00 0.00 178.15 178.40 2c4k h ARG 337 N 1.03 1.25 0.44 2.37 2.43 0.50 -3.09 114.38 119.31 2c4k h ARG 337 Ca 0.27 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2c4k h ARG 337 Cb -0.00 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2c4k h ARG 337 CO -0.05 0.89 -0.21 0.00 -1.51 0.00 0.00 179.97 179.09 2c4k h ARG 338 N 1.26 -0.57 0.00 0.20 2.47 -0.72 -2.75 114.38 114.27 2c4k h ARG 338 Ca 0.32 0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 59.04 2c4k h ARG 338 Cb -0.02 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2c4k h ARG 338 CO -0.06 -0.26 -0.22 -0.84 0.56 0.00 0.00 179.97 179.16 2c4k h ILE 339 N -0.94 1.09 0.78 2.04 3.07 -1.60 0.50 117.51 122.45 2c4k h ILE 339 Ca -0.06 -0.76 -0.04 0.00 1.55 0.00 0.00 64.86 65.56 2c4k h ILE 339 Cb 0.57 1.41 0.01 0.00 -0.27 0.00 0.00 36.82 38.54 2c4k h ILE 339 CO 0.10 0.21 -0.38 -0.74 -1.05 0.00 0.00 178.15 176.29 2c4k h HIS 340 N 0.00 -0.97 0.00 0.16 2.76 -1.56 -2.97 115.15 112.57 2c4k h HIS 340 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2c4k h HIS 340 Cb 0.40 0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.68 2c4k h HIS 340 CO 0.00 -0.61 0.00 0.09 -1.30 0.00 0.00 177.93 176.11 2c4k n ASN 341 N -5.06 0.00 0.00 3.26 3.02 -1.04 -4.85 115.26 110.58 2c4k n ASN 341 Ca -0.13 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2c4k n ASN 341 Cb 0.41 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 2c4k n ASN 341 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4k n GLY 342 N -0.23 0.41 3.81 7.41 0.00 0.18 -5.05 105.19 111.72 2c4k n GLY 342 Ca 0.04 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 2c4k n GLY 342 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c4k s GLU 343 N -2.56 0.31 0.01 1.61 0.41 0.15 -4.95 118.70 113.67 2c4k s GLU 343 Ca 0.00 -0.16 -0.16 0.00 -0.41 0.00 0.00 54.97 54.24 2c4k s GLU 343 Cb 0.00 -1.78 -0.06 0.00 -1.78 0.00 0.00 34.13 30.51 2c4k s GLU 343 CO 0.00 -2.67 0.44 0.45 -0.49 0.00 0.00 175.26 172.98 2c4k s SER 344 N -4.45 6.85 -0.50 -0.19 0.15 -1.26 -4.56 113.70 109.73 2c4k s SER 344 Ca 0.71 1.01 0.03 0.00 0.70 0.00 0.00 55.95 58.39 2c4k s SER 344 Cb -0.08 -2.27 0.57 0.00 -1.71 0.00 0.00 66.02 62.54 2c4k s SER 344 CO 0.54 0.31 1.88 0.23 1.20 0.00 0.00 173.24 177.40 2c4k n MET 345 N 1.86 2.41 0.01 5.44 2.81 -1.26 -4.58 117.12 123.81 2c4k n MET 345 Ca -0.13 -3.17 -0.04 0.00 -1.81 0.00 0.00 57.70 52.55 2c4k n MET 345 Cb 0.52 -2.18 0.18 0.00 -0.71 0.00 0.00 33.22 31.03 2c4k n MET 345 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c4k h ALA 346 N 1.38 1.06 -0.62 3.04 0.00 -1.95 -3.08 119.26 119.09 2c4k h ALA 346 Ca 0.58 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2c4k h ALA 346 Cb 2.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 2c4k h ALA 346 CO 1.19 0.58 0.29 1.88 0.00 0.00 0.00 179.25 183.18 2c4k h TYR 347 N 0.43 0.86 0.00 0.00 -1.99 -1.80 0.11 116.97 114.58 2c4k h TYR 347 Ca 0.06 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2c4k h TYR 347 Cb 0.71 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.17 2c4k h TYR 347 CO 0.02 0.64 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.70 2c4k h LEU 348 N 0.87 0.00 0.00 3.88 -0.00 -1.89 -3.39 115.31 114.77 2c4k h LEU 348 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 2c4k h LEU 348 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2c4k h LEU 348 CO -0.03 0.01 0.00 0.49 -0.00 0.00 0.00 178.44 178.91 2c4k n PHE 349 N -2.39 0.00 1.68 1.13 3.72 -1.08 -4.54 117.46 115.97 2c4k n PHE 349 Ca 0.05 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.60 2c4k n PHE 349 Cb 0.45 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.66 2c4k n PHE 349 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60