#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k4p s ASP 13 N 0.00 6.47 0.34 4.37 1.01 0.19 -5.02 116.67 124.03 1k4p s ASP 13 Ca 0.00 1.24 -0.27 0.00 0.71 0.00 0.00 52.55 54.22 1k4p s ASP 13 Cb 0.00 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.47 1k4p s ASP 13 CO 0.00 -0.52 1.12 0.00 0.21 0.00 0.00 175.17 175.98 1k4p s ALA 14 N -2.58 3.29 0.29 5.23 0.00 -1.26 -4.74 121.76 121.99 1k4p s ALA 14 Ca 0.53 0.91 0.04 0.00 0.00 0.00 0.00 51.96 53.43 1k4p s ALA 14 Cb -0.10 -3.34 0.67 0.00 0.00 0.00 0.00 23.12 20.34 1k4p s ALA 14 CO 0.36 -0.30 1.78 0.82 0.00 0.00 0.00 175.76 178.41 1k4p h ILE 15 N 2.72 0.73 -0.65 0.00 1.08 -1.96 -0.66 117.51 118.77 1k4p h ILE 15 Ca -0.48 -0.26 0.05 0.00 -0.39 0.00 0.00 64.86 63.79 1k4p h ILE 15 Cb 1.22 -0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 1k4p h ILE 15 CO 0.65 0.14 0.43 -0.65 -0.69 0.00 0.00 178.15 178.02 1k4p h PRO 16 N 0.75 0.67 -0.09 2.37 0.11 -2.00 0.84 132.00 134.66 1k4p h PRO 16 Ca 0.54 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.45 1k4p h PRO 16 Cb 0.80 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1k4p h PRO 16 CO -0.37 0.44 -0.65 -0.44 -0.21 0.00 0.00 178.00 176.78 1k4p h ASP 17 N 0.69 0.42 -0.33 -2.05 3.32 -1.52 -1.93 116.42 115.02 1k4p h ASP 17 Ca 0.27 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1k4p h ASP 17 Cb 0.21 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1k4p h ASP 17 CO -0.08 0.95 0.06 0.58 -1.72 0.00 0.00 179.24 179.03 1k4p h VAL 18 N 0.26 1.23 -0.65 -1.35 2.07 -0.70 -1.88 116.25 115.23 1k4p h VAL 18 Ca -0.01 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1k4p h VAL 18 Cb 1.19 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1k4p h VAL 18 CO 0.11 0.27 0.40 0.40 0.02 0.00 0.00 177.57 178.77 1k4p h ILE 19 N 0.38 1.08 -0.46 4.57 2.04 -0.73 -0.67 117.51 123.72 1k4p h ILE 19 Ca 0.10 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1k4p h ILE 19 Cb 0.34 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1k4p h ILE 19 CO 0.01 0.14 0.27 -0.61 0.00 0.00 0.00 178.15 177.96 1k4p h GLN 20 N 0.79 0.63 -0.82 2.37 5.75 -1.25 0.15 115.11 122.74 1k4p h GLN 20 Ca 0.26 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1k4p h GLN 20 Cb 0.02 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 1k4p h GLN 20 CO -0.10 0.48 0.45 0.00 -2.65 0.00 0.00 178.83 177.00 1k4p h ALA 21 N 1.12 1.05 -0.67 3.38 0.00 -0.96 -1.21 119.26 121.98 1k4p h ALA 21 Ca 0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1k4p h ALA 21 Cb 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1k4p h ALA 21 CO -0.03 0.56 0.15 0.35 0.00 0.00 0.00 179.25 180.28 1k4p h PHE 22 N 1.14 1.13 -0.32 0.00 3.04 -0.65 -1.87 116.94 119.41 1k4p h PHE 22 Ca 0.29 -0.14 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1k4p h PHE 22 Cb 0.03 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.21 1k4p h PHE 22 CO 0.00 0.93 0.12 -0.22 -2.02 0.00 0.00 178.31 177.13 1k4p h LYS 23 N 1.00 0.45 0.00 1.11 3.64 -0.30 -1.10 116.57 121.36 1k4p h LYS 23 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1k4p h LYS 23 Cb 0.38 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1k4p h LYS 23 CO 0.00 0.38 0.00 0.09 -2.27 0.00 0.00 179.45 177.66 1k4p n ASN 24 N -4.40 0.00 0.00 4.20 5.03 -0.49 -4.87 115.26 114.73 1k4p n ASN 24 Ca 0.02 -1.47 0.00 0.00 0.87 0.00 0.00 54.58 54.00 1k4p n ASN 24 Cb 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.90 1k4p n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k4p n GLY 25 N 0.53 0.43 3.91 7.41 0.00 -0.42 -5.04 105.19 112.01 1k4p n GLY 25 Ca 0.07 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 1k4p n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k4p s GLU 26 N -1.48 3.58 0.52 1.61 2.02 -0.85 -4.86 118.70 119.25 1k4p s GLU 26 Ca 0.00 -0.03 -0.19 0.00 0.02 0.00 0.00 54.97 54.77 1k4p s GLU 26 Cb 0.00 -2.58 -0.07 0.00 0.10 0.00 0.00 34.13 31.58 1k4p s GLU 26 CO 0.00 0.09 1.07 -0.06 0.02 0.00 0.00 175.26 176.38 1k4p s PHE 27 N -2.31 2.88 0.13 1.61 0.40 -1.26 -4.43 117.98 115.00 1k4p s PHE 27 Ca 0.44 1.56 0.07 0.00 -0.60 0.00 0.00 56.93 58.40 1k4p s PHE 27 Cb -0.10 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.25 1k4p s PHE 27 CO 0.35 -1.12 -0.17 0.14 0.70 0.00 0.00 175.22 175.12 1k4p s VAL 28 N -1.96 1.59 -0.24 -0.44 -7.23 0.08 -4.35 120.40 107.85 1k4p s VAL 28 Ca 0.69 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 59.07 1k4p s VAL 28 Cb -0.19 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 1k4p s VAL 28 CO 0.24 -0.27 0.07 -0.69 -0.31 0.00 0.00 175.10 174.13 1k4p s VAL 29 N -1.80 4.36 -0.12 1.32 1.01 -0.18 -0.84 120.40 124.15 1k4p s VAL 29 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1k4p s VAL 29 Cb -0.07 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1k4p s VAL 29 CO 0.05 0.36 -0.12 -0.69 0.00 0.00 0.00 175.10 174.70 1k4p s VAL 30 N 1.42 1.33 -0.15 2.92 1.01 -0.28 -0.97 120.40 125.68 1k4p s VAL 30 Ca 0.05 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1k4p s VAL 30 Cb -0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1k4p s VAL 30 CO 0.03 0.42 0.19 -0.76 0.00 0.00 0.00 175.10 174.98 1k4p s LEU 31 N 1.41 4.29 0.00 3.92 1.02 -0.26 -1.35 118.68 127.71 1k4p s LEU 31 Ca 0.01 0.41 -0.05 0.00 0.02 0.00 0.00 54.13 54.52 1k4p s LEU 31 Cb -0.13 -2.18 0.17 0.00 0.02 0.00 0.00 46.19 44.07 1k4p s LEU 31 CO -0.07 0.25 1.09 -0.90 0.02 0.00 0.00 176.35 176.74 1k4p n ASP 32 N 2.92 0.94 -4.77 2.29 5.75 -0.62 -0.90 116.55 122.17 1k4p n ASP 32 Ca -0.16 -1.92 -0.38 0.00 -0.01 0.00 0.00 54.79 52.32 1k4p n ASP 32 Cb 0.53 -0.76 -0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1k4p n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k4p s ASP 33 N -5.27 6.13 0.64 -1.12 2.15 -1.26 -4.52 116.67 113.42 1k4p s ASP 33 Ca 0.68 2.52 0.40 0.00 0.43 0.00 0.00 52.55 56.58 1k4p s ASP 33 Cb -0.03 -2.62 2.23 0.00 -0.30 0.00 0.00 42.92 42.20 1k4p s ASP 33 CO 0.46 -0.96 2.34 -0.65 -0.17 0.00 0.00 175.17 176.19 1k4p h PRO 34 N 2.28 0.00 -0.08 4.34 0.11 -1.95 0.23 132.00 136.93 1k4p h PRO 34 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1k4p h PRO 34 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1k4p h PRO 34 CO 0.61 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 1k4p n SER 35 N -3.35 1.80 0.00 -2.05 3.41 -1.26 -4.26 113.62 107.91 1k4p n SER 35 Ca -0.03 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 1k4p n SER 35 Cb 0.07 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1k4p n SER 35 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1k4p n ARG 36 N 0.41 0.00 0.10 4.33 0.63 0.77 -4.94 116.66 117.96 1k4p n ARG 36 Ca 0.18 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.15 1k4p n ARG 36 Cb 0.39 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.29 1k4p n ARG 36 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1k4p h GLU 37 N 0.00 0.00 -6.06 -0.14 5.08 -1.84 -3.48 114.58 108.14 1k4p h GLU 37 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 1k4p h GLU 37 Cb 0.00 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.30 1k4p h GLU 37 CO 0.00 0.25 -0.74 -1.71 -1.00 0.00 0.00 179.01 175.81 1k4p n ASN 38 N -2.96 -4.78 -4.28 1.42 4.05 -0.95 -4.99 115.26 102.77 1k4p n ASN 38 Ca -0.03 -0.68 -0.20 0.00 0.45 0.00 0.00 54.58 54.12 1k4p n ASN 38 Cb 0.71 -4.43 -0.11 0.00 1.23 0.00 0.00 39.78 37.18 1k4p n ASN 38 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1k4p s GLU 39 N -6.34 1.13 -0.08 1.20 2.02 -1.26 -4.75 118.70 110.62 1k4p s GLU 39 Ca 0.51 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1k4p s GLU 39 Cb -0.24 -1.13 -0.03 0.00 0.10 0.00 0.00 34.13 32.83 1k4p s GLU 39 CO 0.78 0.23 -0.07 0.00 0.02 0.00 0.00 175.26 176.22 1k4p s ALA 40 N -1.98 2.96 0.13 5.21 0.00 -1.26 -1.59 121.76 125.23 1k4p s ALA 40 Ca 0.11 -0.88 0.10 0.00 0.00 0.00 0.00 51.96 51.28 1k4p s ALA 40 Cb -0.06 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1k4p s ALA 40 CO 0.05 0.52 -0.20 -0.51 0.00 0.00 0.00 175.76 175.62 1k4p s ASP 41 N -0.62 3.76 0.12 0.00 -0.00 -0.46 -0.81 116.67 118.65 1k4p s ASP 41 Ca 0.09 -0.63 -0.29 0.00 -0.00 0.00 0.00 52.55 51.72 1k4p s ASP 41 Cb -0.12 -0.46 -0.06 0.00 -0.00 0.00 0.00 42.92 42.28 1k4p s ASP 41 CO 0.02 0.17 0.92 -0.76 -0.00 0.00 0.00 175.17 175.51 1k4p s LEU 42 N -2.24 4.52 -0.05 1.23 1.43 -0.34 -1.13 118.68 122.11 1k4p s LEU 42 Ca 0.18 1.75 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 1k4p s LEU 42 Cb -0.10 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.62 1k4p s LEU 42 CO 0.10 -0.01 -0.07 -0.63 0.23 0.00 0.00 176.35 175.96 1k4p s ILE 43 N -0.22 0.73 0.02 -0.59 1.01 -0.02 -2.32 121.20 119.81 1k4p s ILE 43 Ca 0.44 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 1k4p s ILE 43 Cb -0.23 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1k4p s ILE 43 CO 0.29 0.26 0.11 -0.51 0.00 0.00 0.00 174.94 175.08 1k4p s ILE 44 N 0.71 0.11 0.23 2.92 2.07 -0.53 -0.74 121.20 125.97 1k4p s ILE 44 Ca -0.11 -0.88 -0.30 0.00 -1.41 0.00 0.00 60.65 57.95 1k4p s ILE 44 Cb -0.14 -0.61 -0.09 0.00 0.13 0.00 0.00 42.46 41.75 1k4p s ILE 44 CO 0.01 -0.48 1.33 0.00 -1.91 0.00 0.00 174.94 173.89 1k4p s ALA 45 N -1.92 3.54 0.15 1.50 0.00 -1.26 -0.58 121.76 123.19 1k4p s ALA 45 Ca -0.11 1.16 0.18 0.00 0.00 0.00 0.00 51.96 53.20 1k4p s ALA 45 Cb -0.05 -3.49 0.64 0.00 0.00 0.00 0.00 23.12 20.22 1k4p s ALA 45 CO -0.01 -0.58 1.72 0.00 0.00 0.00 0.00 175.76 176.89 1k4p h ALA 46 N 5.01 0.98 -0.92 0.00 0.00 -1.56 -3.33 119.26 119.44 1k4p h ALA 46 Ca -0.46 -0.35 0.18 0.00 0.00 0.00 0.00 54.91 54.29 1k4p h ALA 46 Cb 1.22 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1k4p h ALA 46 CO 0.76 0.48 0.59 1.05 0.00 0.00 0.00 179.25 182.13 1k4p h GLU 47 N 0.00 0.54 0.00 0.00 4.11 -1.82 -3.03 114.58 114.38 1k4p h GLU 47 Ca -0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.33 1k4p h GLU 47 Cb 0.93 -0.12 -0.15 0.00 0.50 0.00 0.00 28.75 29.91 1k4p h GLU 47 CO 0.05 0.35 -0.63 0.45 0.07 0.00 0.00 179.01 179.30 1k4p n SER 48 N -4.57 1.23 -4.72 3.06 2.88 -1.26 -4.74 113.62 105.50 1k4p n SER 48 Ca 0.19 -2.73 -0.42 0.00 -1.33 0.00 0.00 58.87 54.58 1k4p n SER 48 Cb 0.61 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 1k4p n SER 48 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1k4p s VAL 49 N -1.39 2.01 0.46 2.46 0.11 -1.15 -4.97 120.40 117.94 1k4p s VAL 49 Ca 0.29 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.36 1k4p s VAL 49 Cb 0.30 -3.00 0.01 0.00 -1.53 0.00 0.00 36.38 32.15 1k4p s VAL 49 CO -0.08 0.00 0.68 0.42 -3.33 0.00 0.00 175.10 172.78 1k4p s THR 50 N 1.05 3.67 0.17 5.04 -4.23 -1.26 -4.79 115.64 115.29 1k4p s THR 50 Ca 0.74 -0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 60.52 1k4p s THR 50 Cb -0.50 -3.35 0.07 0.00 1.34 0.00 0.00 72.50 70.07 1k4p s THR 50 CO 0.34 -0.23 1.74 0.74 -0.54 0.00 0.00 174.62 176.66 1k4p h THR 51 N 0.37 0.82 -0.23 3.99 2.02 -1.91 0.21 112.91 118.18 1k4p h THR 51 Ca -0.45 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.52 1k4p h THR 51 Cb 1.26 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1k4p h THR 51 CO 0.55 0.05 -0.31 -0.33 0.37 0.00 0.00 175.52 175.86 1k4p h GLU 52 N 0.29 0.47 -0.33 6.66 3.07 -1.94 -0.61 114.58 122.19 1k4p h GLU 52 Ca 0.21 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1k4p h GLU 52 Cb 0.23 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1k4p h GLU 52 CO -0.24 0.73 0.01 1.96 -1.40 0.00 0.00 179.01 180.07 1k4p h GLN 53 N 0.41 0.58 -0.59 2.33 4.20 -1.83 -2.59 115.11 117.62 1k4p h GLN 53 Ca 0.05 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1k4p h GLN 53 Cb 0.75 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 1k4p h GLN 53 CO 0.06 0.70 0.32 1.98 -0.67 0.00 0.00 178.83 181.22 1k4p h MET 54 N 0.39 0.82 -0.82 1.46 4.05 -0.62 -0.20 114.93 120.00 1k4p h MET 54 Ca 0.10 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 1k4p h MET 54 Cb 0.43 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 1k4p h MET 54 CO 0.02 0.60 0.37 0.00 0.23 0.00 0.00 176.91 178.13 1k4p h ALA 55 N 1.53 1.11 -0.38 0.39 0.00 -1.00 0.12 119.26 121.03 1k4p h ALA 55 Ca 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1k4p h ALA 55 Cb 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1k4p h ALA 55 CO -0.03 0.66 0.07 0.35 0.00 0.00 0.00 179.25 180.30 1k4p h PHE 56 N 1.18 0.65 -0.53 0.00 3.57 -0.99 -0.76 116.94 120.06 1k4p h PHE 56 Ca 0.28 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1k4p h PHE 56 Cb 0.15 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1k4p h PHE 56 CO 0.02 0.65 0.34 1.98 -2.23 0.00 0.00 178.31 179.06 1k4p h MET 57 N 0.46 0.67 -0.63 1.11 4.05 -0.26 -1.72 114.93 118.62 1k4p h MET 57 Ca 0.12 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1k4p h MET 57 Cb 0.34 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1k4p h MET 57 CO 0.00 0.44 0.22 0.28 0.23 0.00 0.00 176.91 178.09 1k4p h VAL 58 N 0.69 1.24 -0.91 -5.77 2.07 -0.69 -1.19 116.25 111.70 1k4p h VAL 58 Ca 0.20 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1k4p h VAL 58 Cb -0.05 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1k4p h VAL 58 CO -0.06 0.31 0.60 -0.09 0.02 0.00 0.00 177.57 178.35 1k4p h ARG 59 N 0.90 1.20 -0.03 1.57 9.65 -0.58 -3.16 114.38 123.93 1k4p h ARG 59 Ca 0.21 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1k4p h ARG 59 Cb 0.25 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1k4p h ARG 59 CO -0.01 0.80 -0.07 0.72 2.80 0.00 0.00 179.97 184.21 1k4p n HIS 60 N -4.45 0.00 -4.06 2.20 8.25 -0.70 -5.00 115.22 111.47 1k4p n HIS 60 Ca 0.10 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.41 1k4p n HIS 60 Cb 0.01 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 1k4p n HIS 60 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1k4p n SER 61 N 1.08 2.34 0.31 0.41 3.41 -0.46 -2.92 113.62 117.79 1k4p n SER 61 Ca 0.13 -2.08 0.20 0.00 -0.26 0.00 0.00 58.87 56.86 1k4p n SER 61 Cb 0.55 0.09 1.00 0.00 -0.26 0.00 0.00 64.21 65.59 1k4p n SER 61 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k4p h SER 62 N 0.50 0.00 0.00 4.04 4.64 -1.44 -3.44 113.55 117.85 1k4p h SER 62 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1k4p h SER 62 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1k4p h SER 62 CO 0.33 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 1k4p n GLY 63 N -0.69 1.34 3.43 -0.77 0.00 -1.26 -4.97 105.19 102.27 1k4p n GLY 63 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1k4p n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k4p s LEU 64 N 0.00 5.12 -0.31 0.99 2.96 -1.26 -4.98 118.68 121.20 1k4p s LEU 64 Ca 0.00 -1.77 -0.24 0.00 -0.22 0.00 0.00 54.13 51.90 1k4p s LEU 64 Cb 0.00 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1k4p s LEU 64 CO 0.00 -1.11 0.80 -0.63 -1.32 0.00 0.00 176.35 174.09 1k4p s ILE 65 N 2.76 4.78 0.26 6.68 -1.09 -1.26 -4.58 121.20 128.75 1k4p s ILE 65 Ca 0.26 1.21 0.10 0.00 -2.23 0.00 0.00 60.65 59.98 1k4p s ILE 65 Cb -0.11 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 1k4p s ILE 65 CO -0.03 -0.27 -0.03 0.00 -1.23 0.00 0.00 174.94 173.38 1k4p s ALA 67 N -2.31 2.14 0.33 0.00 0.00 0.00 -0.81 121.76 121.11 1k4p s ALA 67 Ca 0.31 -2.60 -0.29 0.00 0.00 0.00 0.00 51.96 49.38 1k4p s ALA 67 Cb -0.06 -1.88 -0.11 0.00 0.00 0.00 0.00 23.12 21.06 1k4p s ALA 67 CO 0.19 -2.06 1.56 -2.30 0.00 0.00 0.00 175.76 173.15 1k4p n PRO 68 N 3.51 2.72 -3.90 0.00 -0.02 -1.14 -1.54 135.00 134.63 1k4p n PRO 68 Ca 0.09 0.96 -0.09 0.00 -2.02 0.00 0.00 63.50 62.44 1k4p n PRO 68 Cb 0.35 -2.73 -0.05 0.00 -0.02 0.00 0.00 33.50 31.04 1k4p n PRO 68 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k4p s LEU 69 N -1.08 0.42 0.65 2.45 2.34 0.06 -0.86 118.68 122.65 1k4p s LEU 69 Ca 0.60 -0.76 -0.10 0.00 0.06 0.00 0.00 54.13 53.93 1k4p s LEU 69 Cb -0.48 1.74 -0.00 0.00 -0.56 0.00 0.00 46.19 46.88 1k4p s LEU 69 CO 0.54 -1.04 1.03 0.42 -1.06 0.00 0.00 176.35 176.23 1k4p s THR 70 N -3.95 3.92 0.33 5.48 -4.23 -1.23 -1.04 115.64 114.91 1k4p s THR 70 Ca 0.16 0.48 0.04 0.00 -1.18 0.00 0.00 61.69 61.19 1k4p s THR 70 Cb 0.00 -3.60 0.29 0.00 1.34 0.00 0.00 72.50 70.54 1k4p s THR 70 CO 0.03 -0.75 1.92 -0.65 -0.54 0.00 0.00 174.62 174.63 1k4p h PRO 71 N -0.43 0.85 -0.76 3.99 0.11 -1.94 -0.48 132.00 133.35 1k4p h PRO 71 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1k4p h PRO 71 Cb 1.23 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1k4p h PRO 71 CO 0.63 0.57 0.46 1.49 -0.21 0.00 0.00 178.00 180.93 1k4p h GLU 72 N 0.88 1.03 -0.33 1.05 4.22 -1.95 -1.38 114.58 118.10 1k4p h GLU 72 Ca 0.37 -0.09 -0.14 0.00 0.08 0.00 0.00 59.36 59.58 1k4p h GLU 72 Cb 0.30 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1k4p h GLU 72 CO -0.14 0.72 -0.35 0.00 -2.18 0.00 0.00 179.01 177.06 1k4p h ARG 73 N 1.05 0.74 -0.38 1.92 2.47 -1.50 -0.08 114.38 118.60 1k4p h ARG 73 Ca 0.27 -0.36 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 1k4p h ARG 73 Cb -0.04 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1k4p h ARG 73 CO -0.05 0.98 -0.00 1.79 0.56 0.00 0.00 179.97 183.24 1k4p h THR 74 N 0.62 1.21 -0.01 2.04 1.35 -0.48 0.22 112.91 117.86 1k4p h THR 74 Ca 0.06 -0.86 -0.09 0.00 -0.55 0.00 0.00 66.41 64.97 1k4p h THR 74 Cb 0.89 0.93 0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1k4p h THR 74 CO 0.08 0.30 -0.36 0.74 -0.25 0.00 0.00 175.52 176.03 1k4p h THR 75 N 0.57 1.50 -0.68 6.82 2.02 -1.18 -0.45 112.91 121.51 1k4p h THR 75 Ca 0.12 -1.95 0.01 0.00 0.77 0.00 0.00 66.41 65.36 1k4p h THR 75 Cb 0.37 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 69.41 1k4p h THR 75 CO 0.01 0.55 0.45 0.00 0.37 0.00 0.00 175.52 176.90 1k4p h ALA 76 N 0.30 1.54 -0.32 6.16 0.00 -0.83 -2.47 119.26 123.63 1k4p h ALA 76 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k4p h ALA 76 Cb 1.09 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1k4p h ALA 76 CO 0.07 0.42 0.00 1.28 0.00 0.00 0.00 179.25 181.02 1k4p n LEU 77 N -4.44 3.30 -3.40 0.00 4.77 0.05 -4.31 117.00 112.97 1k4p n LEU 77 Ca 0.07 -1.38 -0.21 0.00 -0.03 0.00 0.00 56.01 54.47 1k4p n LEU 77 Cb 0.05 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1k4p n LEU 77 CO 0.36 0.69 0.00 -0.67 -1.33 0.00 0.00 177.39 176.44 1k4p n ASP 78 N 1.41 -6.22 -4.06 -1.43 2.03 -0.70 -4.18 116.55 103.40 1k4p n ASP 78 Ca 0.19 -0.80 -0.35 0.00 0.52 0.00 0.00 54.79 54.35 1k4p n ASP 78 Cb 0.59 -4.51 -0.11 0.00 -0.72 0.00 0.00 41.12 36.37 1k4p n ASP 78 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1k4p s LEU 79 N -5.72 5.02 0.72 -2.67 1.43 -0.26 -5.03 118.68 112.16 1k4p s LEU 79 Ca 0.44 -2.87 -0.14 0.00 -1.03 0.00 0.00 54.13 50.53 1k4p s LEU 79 Cb -0.10 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.35 1k4p s LEU 79 CO 0.79 -0.34 1.13 -2.16 0.23 0.00 0.00 176.35 176.00 1k4p s PRO 80 N -0.09 2.42 0.50 1.29 0.04 -1.26 -4.72 135.00 133.18 1k4p s PRO 80 Ca 0.17 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.42 1k4p s PRO 80 Cb -0.22 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1k4p s PRO 80 CO -0.03 -1.55 1.25 -0.65 0.04 0.00 0.00 177.00 176.06 1k4p s GLN 81 N -4.26 3.45 0.21 4.56 -1.52 -1.26 -0.82 119.66 120.01 1k4p s GLN 81 Ca 0.67 1.96 -0.08 0.00 -1.95 0.00 0.00 55.36 55.96 1k4p s GLN 81 Cb -0.22 -2.31 0.14 0.00 -0.22 0.00 0.00 33.01 30.41 1k4p s GLN 81 CO 0.46 -0.86 1.75 1.98 -0.25 0.00 0.00 175.29 178.38 1k4p h MET 82 N 1.72 1.17 -5.71 2.91 4.05 -1.00 -3.42 114.93 114.65 1k4p h MET 82 Ca -0.50 -0.24 -0.48 0.00 -0.28 0.00 0.00 59.70 58.20 1k4p h MET 82 Cb 1.27 -0.18 -0.21 0.00 -0.80 0.00 0.00 31.60 31.69 1k4p h MET 82 CO 0.59 0.98 -0.80 0.14 0.23 0.00 0.00 176.91 178.05 1k4p s VAL 83 N -5.46 1.41 0.01 -5.77 -7.23 -1.26 -4.95 120.40 97.15 1k4p s VAL 83 Ca -0.12 -1.47 0.11 0.00 -1.81 0.00 0.00 61.98 58.68 1k4p s VAL 83 Cb 0.15 -1.35 -0.21 0.00 0.56 0.00 0.00 36.38 35.53 1k4p s VAL 83 CO 0.84 -0.18 0.93 0.71 -0.31 0.00 0.00 175.10 177.09 1k4p h THR 84 N 4.08 1.15 -3.20 5.32 1.35 -2.00 -3.39 112.91 116.21 1k4p h THR 84 Ca -0.43 -2.92 -0.66 0.00 -0.55 0.00 0.00 66.41 61.85 1k4p h THR 84 Cb 1.19 2.56 -0.39 0.00 -1.73 0.00 0.00 68.15 69.78 1k4p h THR 84 CO 0.41 0.65 -0.35 -1.00 -0.25 0.00 0.00 175.52 174.99 1k4p s HIS 85 N -2.67 3.72 -0.24 4.73 3.76 -1.26 -5.06 115.29 118.28 1k4p s HIS 85 Ca -0.02 -3.19 -0.29 0.00 -0.15 0.00 0.00 55.06 51.41 1k4p s HIS 85 Cb 0.09 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 1k4p s HIS 85 CO 0.82 -0.64 1.93 -0.80 -0.85 0.00 0.00 174.74 175.20 1k4p s ASN 86 N -0.82 5.88 -0.03 1.40 0.01 -1.26 -4.89 114.94 115.23 1k4p s ASN 86 Ca 0.26 1.70 0.20 0.00 -0.71 0.00 0.00 52.86 54.30 1k4p s ASN 86 Cb -0.06 -2.52 0.61 0.00 0.41 0.00 0.00 41.25 39.68 1k4p s ASN 86 CO -0.14 -1.65 1.51 0.00 -1.51 0.00 0.00 177.10 175.31 1k4p n ALA 87 N 10.19 2.52 -1.99 0.60 0.00 -1.26 -4.95 120.51 125.62 1k4p n ALA 87 Ca 0.24 -1.37 -0.41 0.00 0.00 0.00 0.00 53.44 51.90 1k4p n ALA 87 Cb 0.45 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 19.01 1k4p n ALA 87 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k4p s ASP 88 N -1.00 7.17 0.49 0.00 -1.08 -1.26 -4.93 116.67 116.07 1k4p s ASP 88 Ca 0.45 2.20 0.15 0.00 -0.52 0.00 0.00 52.55 54.83 1k4p s ASP 88 Cb 0.25 -2.61 1.18 0.00 -1.46 0.00 0.00 42.92 40.29 1k4p s ASP 88 CO 0.28 -0.28 2.12 -0.65 0.52 0.00 0.00 175.17 177.15 1k4p h PRO 89 N 4.88 0.13 -0.02 4.34 0.11 -2.00 -2.29 132.00 137.15 1k4p h PRO 89 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1k4p h PRO 89 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1k4p h PRO 89 CO 0.72 0.08 -0.18 0.54 -0.21 0.00 0.00 178.00 178.96 1k4p n ARG 90 N -4.51 1.50 -2.04 1.05 1.74 -1.26 -4.97 116.66 108.17 1k4p n ARG 90 Ca -0.00 -1.07 -0.12 0.00 -0.77 0.00 0.00 57.85 55.89 1k4p n ARG 90 Cb 0.13 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 1k4p n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k4p n GLY 91 N 1.31 0.18 3.69 -0.13 0.00 -0.86 -4.88 105.19 104.50 1k4p n GLY 91 Ca 0.14 -0.41 -0.53 0.00 0.00 0.00 0.00 46.02 45.22 1k4p n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k4p n THR 92 N -3.72 0.39 -2.24 2.61 -1.04 -1.26 -4.83 114.28 104.20 1k4p n THR 92 Ca -0.14 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 1k4p n THR 92 Cb 0.56 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 1k4p n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k4p n ALA 93 N 5.69 5.78 -1.94 2.41 0.00 -1.26 -4.95 120.51 126.24 1k4p n ALA 93 Ca 0.24 -4.25 -0.41 0.00 0.00 0.00 0.00 53.44 49.02 1k4p n ALA 93 Cb 0.20 -2.93 -0.03 0.00 0.00 0.00 0.00 19.45 16.70 1k4p n ALA 93 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1k4p s TYR 94 N -0.03 3.15 0.65 0.00 1.51 -1.26 -1.34 117.35 120.04 1k4p s TYR 94 Ca 0.44 1.15 -0.01 0.00 -1.01 0.00 0.00 57.07 57.64 1k4p s TYR 94 Cb 0.12 -3.69 0.13 0.00 -0.11 0.00 0.00 41.96 38.41 1k4p s TYR 94 CO -0.02 -2.19 0.89 0.25 -1.11 0.00 0.00 175.55 173.37 1k4p n THR 95 N 2.42 0.00 -1.67 -0.71 -2.24 -0.47 -0.56 114.28 111.05 1k4p n THR 95 Ca 0.06 -1.35 -0.35 0.00 -2.27 0.00 0.00 64.05 60.14 1k4p n THR 95 Cb 0.42 -0.99 0.07 0.00 -2.10 0.00 0.00 70.33 67.73 1k4p n THR 95 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1k4p s VAL 96 N -2.73 2.45 0.70 2.28 0.11 -0.00 -4.22 120.40 118.98 1k4p s VAL 96 Ca 0.59 0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 59.77 1k4p s VAL 96 Cb -0.03 -2.92 0.01 0.00 -1.53 0.00 0.00 36.38 31.91 1k4p s VAL 96 CO 0.39 -0.10 1.07 -0.94 -3.33 0.00 0.00 175.10 172.19 1k4p s SER 97 N -1.87 5.37 0.04 3.54 1.04 -1.26 -4.52 113.70 116.04 1k4p s SER 97 Ca 0.76 1.46 -0.00 0.00 0.48 0.00 0.00 55.95 58.64 1k4p s SER 97 Cb -0.30 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 1k4p s SER 97 CO 0.41 -1.43 -0.03 0.68 0.98 0.00 0.00 173.24 173.84 1k4p s VAL 98 N -3.13 0.21 0.29 5.02 -7.23 -0.10 -2.93 120.40 112.54 1k4p s VAL 98 Ca 0.58 -1.45 0.09 0.00 -1.81 0.00 0.00 61.98 59.40 1k4p s VAL 98 Cb -0.13 -1.02 -0.06 0.00 0.56 0.00 0.00 36.38 35.74 1k4p s VAL 98 CO 0.54 -0.78 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.61 1k4p s ASP 99 N -2.32 3.28 0.06 4.85 1.01 -0.37 -1.60 116.67 121.57 1k4p s ASP 99 Ca -0.02 -1.11 -0.29 0.00 0.71 0.00 0.00 52.55 51.84 1k4p s ASP 99 Cb 0.00 -0.26 -0.05 0.00 1.01 0.00 0.00 42.92 43.63 1k4p s ASP 99 CO -0.06 -0.15 0.92 0.00 0.21 0.00 0.00 175.17 176.08 1k4p s ALA 100 N -2.73 3.25 -0.65 5.23 0.00 -1.26 -0.77 121.76 124.83 1k4p s ALA 100 Ca 0.29 0.49 -0.23 0.00 0.00 0.00 0.00 51.96 52.51 1k4p s ALA 100 Cb -0.00 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.96 1k4p s ALA 100 CO 0.13 -0.07 0.97 -2.00 0.00 0.00 0.00 175.76 174.79 1k4p s GLU 101 N 0.33 3.13 -0.07 0.00 2.56 0.35 -4.78 118.70 120.22 1k4p s GLU 101 Ca 0.46 -0.76 -0.25 0.00 0.00 0.00 0.00 54.97 54.42 1k4p s GLU 101 Cb -0.22 -4.21 0.06 0.00 2.00 0.00 0.00 34.13 31.76 1k4p s GLU 101 CO 0.27 -1.78 0.57 -1.58 -0.56 0.00 0.00 175.26 172.18 1k4p s HIS 102 N 4.08 -0.53 0.56 5.30 2.46 -1.26 -4.85 115.29 121.04 1k4p s HIS 102 Ca 0.23 0.98 0.38 0.00 0.47 0.00 0.00 55.06 57.11 1k4p s HIS 102 Cb -0.16 0.30 2.05 0.00 -0.13 0.00 0.00 32.58 34.64 1k4p s HIS 102 CO 0.11 -0.51 2.27 -1.35 -2.47 0.00 0.00 174.74 172.80 1k4p h PRO 103 N 3.57 0.00 0.00 2.88 0.11 -2.03 -2.35 132.00 134.18 1k4p h PRO 103 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1k4p h PRO 103 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1k4p h PRO 103 CO 0.35 0.02 -0.45 -1.13 -0.21 0.00 0.00 178.00 176.58 1k4p n SER 104 N -3.36 0.58 -4.77 -2.05 3.41 -1.26 -4.87 113.62 101.30 1k4p n SER 104 Ca -0.03 0.12 -0.39 0.00 -0.26 0.00 0.00 58.87 58.31 1k4p n SER 104 Cb 0.12 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 1k4p n SER 104 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k4p s THR 105 N -3.10 3.05 0.00 6.66 2.01 -0.89 -4.96 115.64 118.41 1k4p s THR 105 Ca 0.09 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.02 1k4p s THR 105 Cb 0.15 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1k4p s THR 105 CO 0.68 0.13 0.00 0.35 -0.69 0.00 0.00 174.62 175.09 1k4p n THR 106 N 0.30 0.00 1.32 -0.82 -2.24 -1.26 -4.92 114.28 106.67 1k4p n THR 106 Ca 0.03 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1k4p n THR 106 Cb 0.45 -0.05 0.42 0.00 -2.10 0.00 0.00 70.33 69.05 1k4p n THR 106 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k4p n THR 107 N 0.00 0.00 0.00 4.28 -2.24 -1.26 -4.96 114.28 110.10 1k4p n THR 107 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1k4p n THR 107 Cb 0.00 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1k4p n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k4p n GLY 108 N 1.29 2.99 0.07 3.38 0.00 -1.26 -4.86 105.19 106.79 1k4p n GLY 108 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1k4p n GLY 108 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1k4p n ILE 109 N -2.00 0.72 -0.74 -0.61 0.13 -1.26 -3.99 119.36 111.61 1k4p n ILE 109 Ca 0.00 -0.63 -0.30 0.00 -1.10 0.00 0.00 62.75 60.72 1k4p n ILE 109 Cb 0.00 -0.37 0.18 0.00 -0.84 0.00 0.00 39.64 38.61 1k4p n ILE 109 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1k4p s SER 110 N -5.24 2.55 0.24 9.51 1.04 -1.26 -4.66 113.70 115.88 1k4p s SER 110 Ca -0.05 1.93 -0.06 0.00 0.48 0.00 0.00 55.95 58.25 1k4p s SER 110 Cb 0.10 -2.47 0.34 0.00 0.10 0.00 0.00 66.02 64.09 1k4p s SER 110 CO 0.84 -3.29 1.84 0.00 0.98 0.00 0.00 173.24 173.60 1k4p h ALA 111 N -2.00 1.14 -0.26 5.32 0.00 -1.93 0.34 119.26 121.87 1k4p h ALA 111 Ca -0.49 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1k4p h ALA 111 Cb 1.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1k4p h ALA 111 CO 0.46 0.20 0.08 1.25 0.00 0.00 0.00 179.25 181.24 1k4p h HIS 112 N 0.89 0.14 -0.39 0.00 -0.00 -1.90 -0.88 115.15 113.01 1k4p h HIS 112 Ca 0.37 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.60 1k4p h HIS 112 Cb 0.22 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 1k4p h HIS 112 CO -0.04 0.06 -0.35 -0.44 -0.00 0.00 0.00 177.93 177.16 1k4p h ASP 113 N 0.20 0.96 -0.47 3.26 3.32 -1.62 -1.47 116.42 120.59 1k4p h ASP 113 Ca 0.12 -0.42 -0.13 0.00 0.02 0.00 0.00 57.03 56.61 1k4p h ASP 113 Cb 0.09 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1k4p h ASP 113 CO -0.13 1.20 -0.23 0.03 -1.72 0.00 0.00 179.24 178.40 1k4p h ARG 114 N 0.75 0.98 -0.81 3.56 3.08 -0.92 -1.33 114.38 119.69 1k4p h ARG 114 Ca 0.07 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1k4p h ARG 114 Cb 0.93 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 1k4p h ARG 114 CO 0.09 1.10 0.43 0.00 -1.07 0.00 0.00 179.97 180.52 1k4p h ALA 115 N 0.85 1.04 -0.49 0.04 0.00 -1.08 -1.72 119.26 117.90 1k4p h ALA 115 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1k4p h ALA 115 Cb 0.81 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1k4p h ALA 115 CO 0.07 0.56 0.28 1.25 0.00 0.00 0.00 179.25 181.41 1k4p h LEU 116 N 1.13 0.60 -0.79 0.00 5.85 -1.03 -0.60 115.31 120.47 1k4p h LEU 116 Ca 0.28 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1k4p h LEU 116 Cb 0.05 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1k4p h LEU 116 CO -0.04 0.50 0.51 0.00 -0.34 0.00 0.00 178.44 179.07 1k4p h ALA 117 N 1.12 1.01 -0.29 1.25 0.00 -0.96 0.23 119.26 121.63 1k4p h ALA 117 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1k4p h ALA 117 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1k4p h ALA 117 CO -0.03 0.36 0.14 0.00 0.00 0.00 0.00 179.25 179.72 1k4p h ARG 119 N 0.33 1.26 -0.51 0.00 3.08 -0.68 -2.49 114.38 115.38 1k4p h ARG 119 Ca 0.10 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 1k4p h ARG 119 Cb 0.12 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1k4p h ARG 119 CO -0.01 0.84 -0.17 0.52 -1.07 0.00 0.00 179.97 180.08 1k4p h MET 120 N 1.29 1.02 -0.31 0.04 2.86 -0.69 -1.65 114.93 117.49 1k4p h MET 120 Ca 0.35 -0.41 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1k4p h MET 120 Cb -0.13 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1k4p h MET 120 CO -0.07 1.10 0.21 -0.07 1.06 0.00 0.00 176.91 179.13 1k4p h LEU 121 N 0.89 0.28 0.00 1.22 3.38 -0.74 -2.67 115.31 117.67 1k4p h LEU 121 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1k4p h LEU 121 Cb 0.75 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1k4p h LEU 121 CO 0.06 0.20 -0.48 0.00 0.09 0.00 0.00 178.44 178.31 1k4p n ALA 122 N -2.51 3.03 -1.77 1.53 0.00 -0.96 -4.91 120.51 114.91 1k4p n ALA 122 Ca 0.02 -0.25 -0.40 0.00 0.00 0.00 0.00 53.44 52.81 1k4p n ALA 122 Cb 0.14 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.39 1k4p n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k4p s ALA 123 N -3.09 3.34 0.51 0.00 0.00 -0.66 -4.83 121.76 117.02 1k4p s ALA 123 Ca 0.09 1.43 0.18 0.00 0.00 0.00 0.00 51.96 53.66 1k4p s ALA 123 Cb 0.15 -3.57 1.28 0.00 0.00 0.00 0.00 23.12 20.99 1k4p s ALA 123 CO 0.68 -1.06 2.12 -1.35 0.00 0.00 0.00 175.76 176.16 1k4p h PRO 124 N 2.61 0.00 -0.55 0.00 0.11 -1.92 -1.64 132.00 130.62 1k4p h PRO 124 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1k4p h PRO 124 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1k4p h PRO 124 CO 0.62 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1k4p n ASP 125 N -4.35 3.00 -4.68 -2.05 5.75 -1.26 -4.98 116.55 107.97 1k4p n ASP 125 Ca -0.03 -2.13 -0.41 0.00 -0.01 0.00 0.00 54.79 52.22 1k4p n ASP 125 Cb 0.14 -0.39 0.02 0.00 -1.03 0.00 0.00 41.12 39.85 1k4p n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k4p n ALA 126 N 0.86 1.01 -2.15 2.12 0.00 -0.62 -5.02 120.51 116.72 1k4p n ALA 126 Ca 0.17 0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.74 1k4p n ALA 126 Cb 0.52 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 1k4p n ALA 126 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k4p s GLN 127 N -2.28 0.91 0.32 0.00 -1.52 -1.26 -4.93 119.66 110.89 1k4p s GLN 127 Ca 0.64 -1.42 0.05 0.00 -1.95 0.00 0.00 55.36 52.67 1k4p s GLN 127 Cb -0.50 0.19 0.67 0.00 -0.22 0.00 0.00 33.01 33.15 1k4p s GLN 127 CO 0.56 -0.23 1.86 -1.35 -0.25 0.00 0.00 175.29 175.88 1k4p h PRO 128 N 2.88 0.84 0.00 2.91 0.11 -1.75 -0.89 132.00 136.10 1k4p h PRO 128 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1k4p h PRO 128 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1k4p h PRO 128 CO 0.60 0.56 0.00 -1.13 -0.21 0.00 0.00 178.00 177.82 1k4p n SER 129 N -4.59 0.00 0.00 -2.05 3.41 -1.26 -2.36 113.62 106.77 1k4p n SER 129 Ca 0.18 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1k4p n SER 129 Cb 0.39 -0.44 0.61 0.00 -0.26 0.00 0.00 64.21 64.52 1k4p n SER 129 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1k4p n HIS 130 N -1.44 0.00 -4.89 7.33 8.25 -0.34 -4.79 115.22 119.35 1k4p n HIS 130 Ca 0.04 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.23 1k4p n HIS 130 Cb 0.14 -0.37 -0.15 0.00 1.12 0.00 0.00 29.99 30.73 1k4p n HIS 130 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1k4p s PHE 131 N -2.74 1.90 -0.11 4.41 0.40 -0.99 -0.49 117.98 120.35 1k4p s PHE 131 Ca 0.20 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 56.07 1k4p s PHE 131 Cb 0.17 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 1k4p s PHE 131 CO 0.42 0.02 0.19 1.03 0.70 0.00 0.00 175.22 177.58 1k4p s ARG 132 N -0.79 3.64 -0.05 0.44 0.52 0.05 -4.83 118.95 117.92 1k4p s ARG 132 Ca 0.08 -0.05 0.04 0.00 -0.52 0.00 0.00 55.73 55.28 1k4p s ARG 132 Cb -0.09 -3.23 -0.00 0.00 0.52 0.00 0.00 34.95 32.15 1k4p s ARG 132 CO 0.00 0.68 -0.17 1.03 0.02 0.00 0.00 175.30 176.87 1k4p s ARG 133 N -0.79 1.80 0.94 3.54 3.00 -1.26 -1.24 118.95 124.94 1k4p s ARG 133 Ca 0.16 -0.59 -0.13 0.00 0.00 0.00 0.00 55.73 55.16 1k4p s ARG 133 Cb -0.13 -1.55 0.21 0.00 0.00 0.00 0.00 34.95 33.48 1k4p s ARG 133 CO 0.05 0.22 1.28 -1.25 0.00 0.00 0.00 175.30 175.60 1k4p s PRO 134 N 0.12 0.63 0.00 3.54 0.04 -1.26 -5.07 135.00 133.00 1k4p s PRO 134 Ca -0.05 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.34 1k4p s PRO 134 Cb -0.12 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1k4p s PRO 134 CO 0.03 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.12 1k4p n GLY 135 N -3.66 3.02 0.20 0.56 0.00 -1.15 -4.45 105.19 99.72 1k4p n GLY 135 Ca 0.16 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.76 1k4p n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1k4p n HIS 136 N 0.00 0.03 -4.82 1.61 8.25 -0.90 -4.44 115.22 114.96 1k4p n HIS 136 Ca 0.00 -0.09 -0.32 0.00 -0.26 0.00 0.00 57.72 57.06 1k4p n HIS 136 Cb 0.00 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 30.97 1k4p n HIS 136 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k4p s VAL 137 N -0.49 2.92 -0.48 1.59 1.01 -0.63 -4.78 120.40 119.52 1k4p s VAL 137 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1k4p s VAL 137 Cb 0.04 -2.17 0.13 0.00 0.00 0.00 0.00 36.38 34.38 1k4p s VAL 137 CO 0.06 0.48 0.25 -0.36 0.00 0.00 0.00 175.10 175.54 1k4p s PHE 138 N -0.81 3.48 0.50 5.22 0.40 -1.02 -0.92 117.98 124.83 1k4p s PHE 138 Ca 0.13 -2.82 -0.22 0.00 -0.60 0.00 0.00 56.93 53.42 1k4p s PHE 138 Cb -0.11 -3.06 -0.06 0.00 0.51 0.00 0.00 43.02 40.31 1k4p s PHE 138 CO 0.03 -0.87 1.24 -2.14 0.70 0.00 0.00 175.22 174.17 1k4p s PRO 139 N 0.40 3.46 -0.07 0.24 0.02 -1.26 -0.82 135.00 136.98 1k4p s PRO 139 Ca 0.13 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.11 1k4p s PRO 139 Cb -0.22 -2.30 0.01 0.00 0.02 0.00 0.00 34.50 32.01 1k4p s PRO 139 CO -0.04 -0.84 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.16 1k4p s LEU 140 N -3.31 1.63 -0.45 -5.54 1.43 -0.59 -1.36 118.68 110.50 1k4p s LEU 140 Ca 0.68 -0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.22 1k4p s LEU 140 Cb -0.33 -0.83 0.03 0.00 0.03 0.00 0.00 46.19 45.09 1k4p s LEU 140 CO 0.39 0.03 0.96 -0.60 0.23 0.00 0.00 176.35 177.36 1k4p s ARG 141 N 0.69 3.61 0.52 1.70 3.52 -0.45 -0.76 118.95 127.78 1k4p s ARG 141 Ca -0.14 0.29 -0.20 0.00 -0.13 0.00 0.00 55.73 55.55 1k4p s ARG 141 Cb -0.16 -3.90 -0.07 0.00 -1.56 0.00 0.00 34.95 29.26 1k4p s ARG 141 CO 0.03 -1.21 1.11 0.00 -0.81 0.00 0.00 175.30 174.43 1k4p s ALA 142 N 3.83 2.78 0.50 6.12 0.00 -0.21 -4.60 121.76 130.18 1k4p s ALA 142 Ca 0.39 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 1k4p s ALA 142 Cb -0.10 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1k4p s ALA 142 CO 0.26 -0.63 1.06 0.14 0.00 0.00 0.00 175.76 176.59 1k4p s VAL 143 N -1.79 3.65 0.48 0.00 -7.23 -1.26 -4.14 120.40 110.10 1k4p s VAL 143 Ca 0.70 1.02 0.16 0.00 -1.81 0.00 0.00 61.98 62.04 1k4p s VAL 143 Cb -0.23 -3.41 0.31 0.00 0.56 0.00 0.00 36.38 33.62 1k4p s VAL 143 CO 0.26 -0.24 2.05 0.00 -0.31 0.00 0.00 175.10 176.87 1k4p h ALA 144 N 1.42 2.05 0.00 1.32 0.00 -1.99 -2.05 119.26 120.01 1k4p h ALA 144 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1k4p h ALA 144 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1k4p h ALA 144 CO 0.58 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1k4p n GLY 145 N -1.54 -0.96 7.00 0.00 0.00 -1.26 -5.02 105.19 103.40 1k4p n GLY 145 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1k4p n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k4p n GLY 146 N 0.48 -0.89 0.29 -0.02 0.00 -0.77 -3.65 105.19 100.63 1k4p n GLY 146 Ca 0.10 -1.14 0.13 0.00 0.00 0.00 0.00 46.02 45.12 1k4p n GLY 146 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1k4p h VAL 147 N 0.00 0.69 0.00 1.61 -1.51 -1.79 -0.68 116.25 114.57 1k4p h VAL 147 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 1k4p h VAL 147 Cb 0.00 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.12 1k4p h VAL 147 CO 0.00 0.00 -0.34 0.03 -1.23 0.00 0.00 177.57 176.03 1k4p h ARG 148 N 0.00 0.00 0.11 5.19 3.08 -1.95 -3.27 114.38 117.54 1k4p h ARG 148 Ca 0.02 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.75 1k4p h ARG 148 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1k4p h ARG 148 CO -0.00 0.34 -1.66 0.00 -1.07 0.00 0.00 179.97 177.58 1k4p h ALA 149 N 1.66 0.34 -2.93 0.04 0.00 -1.21 -3.46 119.26 113.71 1k4p h ALA 149 Ca -0.00 -1.20 -0.34 0.00 0.00 0.00 0.00 54.91 53.36 1k4p h ALA 149 Cb 0.78 0.40 -0.37 0.00 0.00 0.00 0.00 17.79 18.59 1k4p h ALA 149 CO 0.04 1.20 -0.67 0.50 0.00 0.00 0.00 179.25 180.33 1k4p s ARG 150 N -2.60 0.08 -0.31 0.00 3.52 -0.89 -5.03 118.95 113.71 1k4p s ARG 150 Ca -0.12 0.30 -0.05 0.00 -0.13 0.00 0.00 55.73 55.73 1k4p s ARG 150 Cb 0.07 -0.93 -0.10 0.00 -1.56 0.00 0.00 34.95 32.43 1k4p s ARG 150 CO 0.84 -0.50 3.18 0.54 -0.81 0.00 0.00 175.30 178.55 1k4p n ARG 151 N 5.31 2.34 -3.96 5.12 1.74 -1.25 -4.23 116.66 121.73 1k4p n ARG 151 Ca -0.05 -1.74 -0.23 0.00 -0.77 0.00 0.00 57.85 55.06 1k4p n ARG 151 Cb 0.50 -2.12 -0.06 0.00 -1.02 0.00 0.00 32.46 29.76 1k4p n ARG 151 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1k4p s GLY 152 N 1.21 2.16 0.44 -0.13 0.00 -1.26 -4.71 107.32 105.03 1k4p s GLY 152 Ca 0.63 -1.96 0.15 0.00 0.00 0.00 0.00 44.72 43.54 1k4p s GLY 152 CO -0.11 -1.81 1.97 0.45 0.00 0.00 0.00 173.10 173.61 1k4p h HIS 153 N 1.35 0.00 0.41 1.90 3.86 -1.96 -0.61 115.15 120.10 1k4p h HIS 153 Ca -0.43 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.76 1k4p h HIS 153 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1k4p h HIS 153 CO 0.60 0.21 -0.20 1.15 0.86 0.00 0.00 177.93 180.54 1k4p h THR 154 N 0.00 0.60 -0.50 2.45 2.02 -1.95 -0.71 112.91 114.81 1k4p h THR 154 Ca -0.00 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1k4p h THR 154 Cb 0.38 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1k4p h THR 154 CO 0.03 0.01 0.12 -0.33 0.37 0.00 0.00 175.52 175.71 1k4p h GLU 155 N -0.58 0.76 -0.85 6.66 3.07 -1.77 -2.50 114.58 119.38 1k4p h GLU 155 Ca -0.06 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.63 1k4p h GLU 155 Cb 0.44 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 1k4p h GLU 155 CO 0.09 0.69 0.45 0.00 -1.40 0.00 0.00 179.01 178.85 1k4p h ALA 156 N 1.39 1.19 -0.17 3.43 0.00 -0.86 0.11 119.26 124.35 1k4p h ALA 156 Ca 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1k4p h ALA 156 Cb 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1k4p h ALA 156 CO -0.00 0.64 0.03 0.78 0.00 0.00 0.00 179.25 180.70 1k4p h GLY 157 N 1.20 0.30 1.31 0.00 0.00 -0.72 -0.99 103.07 104.18 1k4p h GLY 157 Ca 0.30 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 1k4p h GLY 157 CO -0.04 0.18 -0.07 -2.08 0.00 0.00 0.00 176.54 174.53 1k4p h VAL 158 N 0.07 1.26 -0.64 4.60 2.07 -1.24 -1.95 116.25 120.41 1k4p h VAL 158 Ca 0.05 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1k4p h VAL 158 Cb 0.29 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1k4p h VAL 158 CO 0.00 0.39 0.31 -0.08 0.02 0.00 0.00 177.57 178.21 1k4p h GLU 159 N 0.75 0.93 -0.81 1.57 4.57 -0.65 -1.51 114.58 119.43 1k4p h GLU 159 Ca 0.13 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1k4p h GLU 159 Cb 0.56 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 1k4p h GLU 159 CO 0.03 0.74 0.44 -0.07 -1.18 0.00 0.00 179.01 178.97 1k4p h LEU 160 N 0.89 1.02 -0.53 1.64 3.38 -0.95 0.79 115.31 121.55 1k4p h LEU 160 Ca 0.22 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1k4p h LEU 160 Cb 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1k4p h LEU 160 CO -0.03 0.83 0.34 0.00 0.09 0.00 0.00 178.44 179.67 1k4p h ARG 162 N 0.68 0.07 -0.02 0.00 2.43 -0.75 0.75 114.38 117.54 1k4p h ARG 162 Ca 0.21 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1k4p h ARG 162 Cb -0.03 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1k4p h ARG 162 CO -0.07 0.15 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.41 1k4p h LEU 163 N -0.02 0.03 -1.48 3.80 3.38 -0.59 -2.39 115.31 118.03 1k4p h LEU 163 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1k4p h LEU 163 Cb 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1k4p h LEU 163 CO -0.00 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1k4p n ALA 164 N -2.52 2.51 -2.29 1.53 0.00 -0.23 -4.96 120.51 114.54 1k4p n ALA 164 Ca -0.02 -0.58 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 1k4p n ALA 164 Cb 0.15 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 1k4p n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k4p n GLY 165 N 1.27 -0.11 4.01 0.00 0.00 -0.76 -4.77 105.19 104.82 1k4p n GLY 165 Ca 0.17 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 1k4p n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4p s LYS 166 N -4.69 2.74 0.65 1.61 -0.14 0.18 -5.04 119.74 115.06 1k4p s LYS 166 Ca 0.02 -1.22 -0.18 0.00 -1.36 0.00 0.00 55.97 53.24 1k4p s LYS 166 Cb -0.01 -2.71 -0.01 0.00 -1.68 0.00 0.00 37.83 33.41 1k4p s LYS 166 CO 0.03 -0.39 1.25 0.54 -0.76 0.00 0.00 175.35 176.02 1k4p n ARG 167 N -1.96 1.05 -0.82 1.68 5.12 -1.26 -4.59 116.66 115.89 1k4p n ARG 167 Ca 0.09 0.42 -0.08 0.00 -1.93 0.00 0.00 57.85 56.35 1k4p n ARG 167 Cb 0.59 -2.48 -0.11 0.00 -1.16 0.00 0.00 32.46 29.30 1k4p n ARG 167 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1k4p n PRO 168 N -1.83 1.64 -3.73 5.56 -0.04 -1.26 -4.73 135.00 130.61 1k4p n PRO 168 Ca 0.16 -0.65 -0.15 0.00 -0.04 0.00 0.00 63.50 62.81 1k4p n PRO 168 Cb 0.48 -1.64 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1k4p n PRO 168 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k4p s VAL 169 N 0.61 -0.10 0.52 0.52 1.01 -1.26 -3.50 120.40 118.20 1k4p s VAL 169 Ca 0.43 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.68 1k4p s VAL 169 Cb 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.37 1k4p s VAL 169 CO -0.00 0.10 0.10 0.00 0.00 0.00 0.00 175.10 175.30 1k4p s ALA 170 N 1.46 4.17 -0.04 5.51 0.00 -0.04 -1.65 121.76 131.16 1k4p s ALA 170 Ca -0.06 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1k4p s ALA 170 Cb -0.12 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1k4p s ALA 170 CO -0.05 -0.12 -0.06 0.08 0.00 0.00 0.00 175.76 175.60 1k4p s VAL 171 N -2.85 0.65 0.05 0.00 1.01 0.25 -2.87 120.40 116.65 1k4p s VAL 171 Ca 0.13 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1k4p s VAL 171 Cb 0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1k4p s VAL 171 CO 0.08 0.24 -0.06 0.27 0.00 0.00 0.00 175.10 175.62 1k4p s ILE 172 N 0.71 0.49 -0.03 2.22 -4.36 0.01 -1.45 121.20 118.79 1k4p s ILE 172 Ca -0.10 -1.31 -0.29 0.00 -0.26 0.00 0.00 60.65 58.68 1k4p s ILE 172 Cb -0.13 -0.88 0.08 0.00 1.25 0.00 0.00 42.46 42.78 1k4p s ILE 172 CO 0.01 -0.56 0.73 -0.55 0.24 0.00 0.00 174.94 174.81 1k4p s SER 173 N -2.01 -0.58 0.25 4.36 0.15 -0.98 -1.46 113.70 113.44 1k4p s SER 173 Ca -0.04 0.50 -0.30 0.00 0.70 0.00 0.00 55.95 56.81 1k4p s SER 173 Cb -0.05 0.50 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 1k4p s SER 173 CO -0.02 -0.62 0.99 -1.61 1.20 0.00 0.00 173.24 173.18 1k4p s GLU 174 N -1.71 4.78 -0.29 5.44 8.01 -1.26 -1.20 118.70 132.47 1k4p s GLU 174 Ca -0.06 1.58 -0.24 0.00 0.01 0.00 0.00 54.97 56.25 1k4p s GLU 174 Cb -0.00 -3.24 0.00 0.00 -4.31 0.00 0.00 34.13 26.58 1k4p s GLU 174 CO 0.04 0.42 0.84 0.42 0.01 0.00 0.00 175.26 176.98 1k4p s ILE 175 N -1.19 4.76 0.48 -1.63 1.01 0.01 -1.21 121.20 123.43 1k4p s ILE 175 Ca 0.42 1.34 0.02 0.00 0.00 0.00 0.00 60.65 62.43 1k4p s ILE 175 Cb -0.28 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.03 1k4p s ILE 175 CO 0.34 -0.24 0.68 0.68 0.00 0.00 0.00 174.94 176.40 1k4p s VAL 176 N 3.03 3.26 -0.48 2.92 -7.23 -1.15 -2.57 120.40 118.19 1k4p s VAL 176 Ca 0.35 -0.69 -0.14 0.00 -1.81 0.00 0.00 61.98 59.68 1k4p s VAL 176 Cb -0.14 -3.19 0.09 0.00 0.56 0.00 0.00 36.38 33.70 1k4p s VAL 176 CO 0.12 -0.12 0.39 -0.62 -0.31 0.00 0.00 175.10 174.56 1k4p s ASP 177 N -4.33 6.03 0.00 4.85 -1.08 0.24 -4.37 116.67 118.02 1k4p s ASP 177 Ca 0.53 -1.50 0.18 0.00 -0.52 0.00 0.00 52.55 51.24 1k4p s ASP 177 Cb -0.10 -2.14 1.09 0.00 -1.46 0.00 0.00 42.92 40.30 1k4p s ASP 177 CO 0.37 -0.68 1.54 0.47 0.52 0.00 0.00 175.17 177.39 1k4p n ASP 178 N 5.14 0.00 0.00 -0.34 9.92 -1.26 -1.21 116.55 128.79 1k4p n ASP 178 Ca -0.12 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.22 1k4p n ASP 178 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1k4p n ASP 178 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k4p n GLY 179 N 0.43 -0.28 3.44 0.44 0.00 -1.26 -4.70 105.19 103.26 1k4p n GLY 179 Ca 0.14 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 1k4p n GLY 179 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k4p s GLN 180 N 0.00 1.72 0.51 1.61 1.11 -0.20 -4.86 119.66 119.55 1k4p s GLN 180 Ca 0.00 -1.19 -0.23 0.00 0.01 0.00 0.00 55.36 53.95 1k4p s GLN 180 Cb 0.00 -2.05 -0.06 0.00 -1.01 0.00 0.00 33.01 29.89 1k4p s GLN 180 CO 0.00 0.49 1.39 -2.00 0.01 0.00 0.00 175.29 175.18 1k4p s GLU 181 N -1.89 3.36 -0.32 2.91 2.12 -1.26 -1.13 118.70 122.50 1k4p s GLU 181 Ca 0.15 2.32 -0.02 0.00 0.36 0.00 0.00 54.97 57.79 1k4p s GLU 181 Cb -0.10 -2.42 0.06 0.00 0.26 0.00 0.00 34.13 31.92 1k4p s GLU 181 CO 0.07 -1.05 0.03 0.08 -0.54 0.00 0.00 175.26 173.85 1k4p s VAL 182 N -1.26 3.00 -0.01 3.70 1.01 -1.25 -4.79 120.40 120.80 1k4p s VAL 182 Ca 0.67 -1.50 -0.37 0.00 0.00 0.00 0.00 61.98 60.78 1k4p s VAL 182 Cb -0.42 -2.79 -0.16 0.00 0.00 0.00 0.00 36.38 33.02 1k4p s VAL 182 CO 0.52 -0.20 1.52 1.21 0.00 0.00 0.00 175.10 178.15 1k4p n GLU 183 N 4.61 1.37 -0.96 2.72 4.07 -1.26 -1.29 120.64 129.89 1k4p n GLU 183 Ca -0.11 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 1k4p n GLU 183 Cb 0.43 -2.19 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 1k4p n GLU 183 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k4p n GLY 184 N 3.23 0.26 3.16 8.31 0.00 -1.26 -5.00 105.19 113.89 1k4p n GLY 184 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1k4p n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k4p s ARG 185 N -0.99 1.03 -1.10 1.61 1.81 -0.42 -5.04 118.95 115.84 1k4p s ARG 185 Ca 0.00 -0.77 -0.07 0.00 -1.72 0.00 0.00 55.73 53.17 1k4p s ARG 185 Cb 0.00 -1.05 -0.04 0.00 -0.45 0.00 0.00 34.95 33.40 1k4p s ARG 185 CO 0.00 0.26 2.89 0.00 -0.68 0.00 0.00 175.30 177.78 1k4p n ALA 186 N 1.96 7.01 -2.53 2.13 0.00 -1.26 -4.55 120.51 123.27 1k4p n ALA 186 Ca -0.18 -3.33 -0.09 0.00 0.00 0.00 0.00 53.44 49.85 1k4p n ALA 186 Cb 0.54 -2.86 -0.08 0.00 0.00 0.00 0.00 19.45 17.06 1k4p n ALA 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k4p s VAL 187 N 0.45 0.14 -0.03 0.00 -7.23 -1.26 -5.16 120.40 107.31 1k4p s VAL 187 Ca 0.63 -1.29 0.05 0.00 -1.81 0.00 0.00 61.98 59.57 1k4p s VAL 187 Cb 0.23 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.71 1k4p s VAL 187 CO -0.08 -0.62 -0.19 -0.13 -0.31 0.00 0.00 175.10 173.77 1k4p s ARG 188 N -3.89 1.69 0.10 4.82 1.81 -1.26 -3.86 118.95 118.35 1k4p s ARG 188 Ca 0.08 -0.67 -0.23 0.00 -1.72 0.00 0.00 55.73 53.19 1k4p s ARG 188 Cb 0.05 -1.55 -0.07 0.00 -0.45 0.00 0.00 34.95 32.93 1k4p s ARG 188 CO -0.09 0.35 0.68 0.00 -0.68 0.00 0.00 175.30 175.57 1k4p s ALA 189 N -0.26 3.49 -1.30 2.13 0.00 -0.28 -4.40 121.76 121.14 1k4p s ALA 189 Ca 0.03 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 1k4p s ALA 189 Cb -0.09 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1k4p s ALA 189 CO 0.01 0.29 0.74 0.00 0.00 0.00 0.00 175.76 176.80 1k4p n ALA 190 N 1.90 -2.00 -1.77 0.00 0.00 -1.26 -1.03 120.51 116.34 1k4p n ALA 190 Ca -0.07 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 1k4p n ALA 190 Cb 0.50 -2.05 0.11 0.00 0.00 0.00 0.00 19.45 18.01 1k4p n ALA 190 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1k4p s PRO 191 N -5.91 1.62 0.00 0.00 0.04 -1.26 -4.26 135.00 125.23 1k4p s PRO 191 Ca 0.01 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1k4p s PRO 191 Cb -0.01 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1k4p s PRO 191 CO 0.80 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1k4p n GLY 192 N -2.94 -0.79 3.42 0.56 0.00 -0.35 -4.91 105.19 100.19 1k4p n GLY 192 Ca 0.08 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1k4p n GLY 192 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k4p s MET 193 N -0.27 2.05 0.21 1.61 -1.94 -1.26 -0.59 119.30 119.10 1k4p s MET 193 Ca 0.00 -0.99 -0.30 0.00 -1.71 0.00 0.00 55.69 52.70 1k4p s MET 193 Cb 0.00 -2.15 -0.08 0.00 2.01 0.00 0.00 34.83 34.61 1k4p s MET 193 CO 0.00 0.54 1.14 -1.17 -0.01 0.00 0.00 175.02 175.52 1k4p s LEU 194 N -1.29 4.49 0.15 -0.03 2.96 -1.06 -4.55 118.68 119.35 1k4p s LEU 194 Ca 0.13 2.19 0.07 0.00 -0.22 0.00 0.00 54.13 56.30 1k4p s LEU 194 Cb -0.10 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1k4p s LEU 194 CO 0.04 -0.26 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.53 1k4p s ARG 195 N -0.60 1.13 0.00 1.98 1.81 -1.26 -4.30 118.95 117.71 1k4p s ARG 195 Ca 0.49 -1.35 0.00 0.00 -1.72 0.00 0.00 55.73 53.15 1k4p s ARG 195 Cb -0.31 -1.01 0.00 0.00 -0.45 0.00 0.00 34.95 33.18 1k4p s ARG 195 CO 0.37 0.19 0.00 0.41 -0.68 0.00 0.00 175.30 175.59 1k4p n GLY 196 N 0.27 0.67 0.38 -3.53 0.00 -1.26 -0.55 105.19 101.17 1k4p n GLY 196 Ca -0.13 0.25 0.20 0.00 0.00 0.00 0.00 46.02 46.34 1k4p n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k4p h ASP 197 N 0.00 0.00 -0.03 1.61 3.32 -2.00 0.11 116.42 119.43 1k4p h ASP 197 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1k4p h ASP 197 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1k4p h ASP 197 CO 0.00 0.00 -0.37 -0.33 -1.72 0.00 0.00 179.24 176.82 1k4p h GLU 198 N 0.00 0.53 -0.49 3.56 3.07 -1.22 -0.55 114.58 119.47 1k4p h GLU 198 Ca 0.23 -0.25 -0.13 0.00 -0.50 0.00 0.00 59.36 58.71 1k4p h GLU 198 Cb 0.97 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 1k4p h GLU 198 CO -0.00 0.82 -0.19 0.00 -1.40 0.00 0.00 179.01 178.23 1k4p h VAL 200 N 0.87 1.23 -0.44 0.00 2.07 -1.31 -1.06 116.25 117.62 1k4p h VAL 200 Ca 0.12 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1k4p h VAL 200 Cb 0.77 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1k4p h VAL 200 CO 0.06 0.29 0.08 0.00 0.02 0.00 0.00 177.57 178.02 1k4p h ALA 201 N 0.98 1.32 -0.16 1.67 0.00 -0.82 -0.75 119.26 121.50 1k4p h ALA 201 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k4p h ALA 201 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1k4p h ALA 201 CO 0.00 0.48 0.10 0.35 0.00 0.00 0.00 179.25 180.18 1k4p h PHE 202 N 0.64 0.21 -0.42 0.00 3.57 -0.79 -1.26 116.94 118.90 1k4p h PHE 202 Ca 0.14 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1k4p h PHE 202 Cb 0.29 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1k4p h PHE 202 CO 0.01 0.15 0.18 0.00 -2.23 0.00 0.00 178.31 176.42 1k4p h ALA 203 N 1.04 0.51 -0.89 2.41 0.00 -0.52 -2.37 119.26 119.44 1k4p h ALA 203 Ca 0.06 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1k4p h ALA 203 Cb -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1k4p h ALA 203 CO -0.01 -0.20 0.49 0.00 0.00 0.00 0.00 179.25 179.54 1k4p h ARG 204 N 0.37 1.24 -0.92 0.00 2.47 -0.91 -0.05 114.38 116.58 1k4p h ARG 204 Ca 0.19 -0.14 0.07 0.00 -1.26 0.00 0.00 59.98 58.83 1k4p h ARG 204 Cb 0.13 -0.24 -0.06 0.00 -1.65 0.00 0.00 29.97 28.15 1k4p h ARG 204 CO -0.16 0.90 0.60 -0.09 0.56 0.00 0.00 179.97 181.78 1k4p h ARG 205 N 1.25 1.01 -0.60 0.04 2.43 -0.75 -2.74 114.38 115.01 1k4p h ARG 205 Ca 0.31 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1k4p h ARG 205 Cb 0.02 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1k4p h ARG 205 CO -0.05 0.67 0.00 0.91 -1.51 0.00 0.00 179.97 179.99 1k4p n TRP 206 N -4.50 0.94 -2.04 2.20 7.02 -0.92 -4.97 117.44 115.18 1k4p n TRP 206 Ca 0.14 -0.54 -0.10 0.00 -1.02 0.00 0.00 57.50 55.99 1k4p n TRP 206 Cb 0.21 -0.07 -0.01 0.00 -2.42 0.00 0.00 31.31 29.02 1k4p n TRP 206 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k4p n GLY 207 N 1.16 0.16 3.79 6.99 0.00 -0.60 -5.03 105.19 111.67 1k4p n GLY 207 Ca 0.21 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1k4p n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k4p s LEU 208 N -2.68 3.73 0.43 0.99 1.43 -0.13 -5.03 118.68 117.42 1k4p s LEU 208 Ca 0.00 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1k4p s LEU 208 Cb 0.00 -2.32 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 1k4p s LEU 208 CO 0.00 0.04 0.87 -0.54 0.23 0.00 0.00 176.35 176.95 1k4p s LYS 209 N -3.32 3.98 -0.00 1.70 -0.14 -1.26 -4.39 119.74 116.31 1k4p s LYS 209 Ca 0.31 0.81 0.01 0.00 -1.36 0.00 0.00 55.97 55.74 1k4p s LYS 209 Cb -0.09 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.79 1k4p s LYS 209 CO 0.23 -0.06 -0.03 0.54 -0.76 0.00 0.00 175.35 175.27 1k4p s VAL 210 N -2.32 0.23 0.34 3.17 0.11 -1.26 -1.01 120.40 119.65 1k4p s VAL 210 Ca 0.57 -0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 59.39 1k4p s VAL 210 Cb -0.10 -0.21 0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1k4p s VAL 210 CO 0.24 0.07 0.64 0.00 -3.33 0.00 0.00 175.10 172.72 1k4p s THR 212 N -3.02 3.87 0.39 0.00 -4.23 -1.26 -1.10 115.64 110.28 1k4p s THR 212 Ca 0.20 -1.25 0.11 0.00 -1.18 0.00 0.00 61.69 59.57 1k4p s THR 212 Cb -0.03 -2.91 0.14 0.00 1.34 0.00 0.00 72.50 71.04 1k4p s THR 212 CO 0.13 -0.03 1.90 0.40 -0.54 0.00 0.00 174.62 176.48 1k4p h ILE 213 N 2.58 1.19 -0.38 2.99 2.04 -1.35 -1.49 117.51 123.10 1k4p h ILE 213 Ca -0.47 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 64.53 1k4p h ILE 213 Cb 1.19 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1k4p h ILE 213 CO 0.59 0.26 0.21 -0.08 0.00 0.00 0.00 178.15 179.12 1k4p h GLU 214 N 0.13 0.41 -0.18 2.37 4.81 -1.94 0.19 114.58 120.35 1k4p h GLU 214 Ca 0.02 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1k4p h GLU 214 Cb 0.44 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1k4p h GLU 214 CO 0.03 0.27 -0.32 -0.44 -0.73 0.00 0.00 179.01 177.82 1k4p h ASP 215 N 0.42 0.37 -0.81 1.04 3.32 -1.80 -1.53 116.42 117.43 1k4p h ASP 215 Ca 0.15 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1k4p h ASP 215 Cb 0.03 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1k4p h ASP 215 CO -0.09 0.68 0.33 -0.03 -1.72 0.00 0.00 179.24 178.41 1k4p h MET 216 N 0.31 1.20 -0.48 3.56 4.05 -0.33 -0.68 114.93 122.57 1k4p h MET 216 Ca 0.04 -0.21 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 1k4p h MET 216 Cb 0.72 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 1k4p h MET 216 CO 0.06 0.96 0.18 0.82 0.23 0.00 0.00 176.91 179.16 1k4p h ILE 217 N 1.17 1.21 -0.94 1.77 2.04 -0.35 -1.07 117.51 121.35 1k4p h ILE 217 Ca 0.27 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1k4p h ILE 217 Cb 0.20 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1k4p h ILE 217 CO -0.02 0.25 0.62 0.00 0.00 0.00 0.00 178.15 179.00 1k4p h ALA 218 N 1.03 1.36 0.08 1.87 0.00 -0.85 0.62 119.26 123.37 1k4p h ALA 218 Ca 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1k4p h ALA 218 Cb 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1k4p h ALA 218 CO -0.01 0.57 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 1k4p h HIS 219 N 1.23 -0.10 -0.87 0.00 -0.00 -0.66 -2.87 115.15 111.87 1k4p h HIS 219 Ca 0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 1k4p h HIS 219 Cb -0.07 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.33 1k4p h HIS 219 CO -0.00 -0.01 0.56 0.28 -0.00 0.00 0.00 177.93 178.75 1k4p h VAL 220 N -0.16 1.23 0.00 5.26 2.07 -0.56 -1.47 116.25 122.61 1k4p h VAL 220 Ca -0.01 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1k4p h VAL 220 Cb 0.13 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1k4p h VAL 220 CO 0.02 0.23 -0.01 -0.33 0.02 0.00 0.00 177.57 177.50 1k4p h GLU 221 N 1.20 0.00 -0.07 1.57 5.08 -0.74 -0.19 114.58 121.42 1k4p h GLU 221 Ca 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1k4p h GLU 221 Cb -0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1k4p h GLU 221 CO -0.06 0.01 -0.02 0.87 -1.00 0.00 0.00 179.01 178.80 1k4p h LYS 222 N 0.00 0.10 0.00 2.33 1.57 -1.05 0.83 116.57 120.35 1k4p h LYS 222 Ca -0.00 -0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 58.39 1k4p h LYS 222 Cb 0.03 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 1k4p h LYS 222 CO 0.00 0.14 -2.43 2.41 -0.57 0.00 0.00 179.45 179.00 1k4p n THR 223 N -4.45 1.43 0.86 -0.16 -1.04 -0.71 -4.70 114.28 105.52 1k4p n THR 223 Ca -0.02 -0.67 0.09 0.00 -2.04 0.00 0.00 64.05 61.41 1k4p n THR 223 Cb 0.15 -1.05 -0.06 0.00 -1.82 0.00 0.00 70.33 67.55 1k4p n THR 223 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1k4p n GLU 224 N -3.06 1.18 -0.46 -2.82 4.71 -0.16 -5.10 120.64 114.92 1k4p n GLU 224 Ca -0.41 -0.41 0.06 0.00 -0.01 0.00 0.00 57.16 56.39 1k4p n GLU 224 Cb 1.05 -1.37 -0.02 0.00 -1.01 0.00 0.00 31.44 30.09 1k4p n GLU 224 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1k4p n GLY 225 N 1.37 -1.86 3.71 0.62 0.00 0.28 -4.77 105.19 104.54 1k4p n GLY 225 Ca 0.06 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1k4p n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4p s LYS 226 N -1.95 4.42 0.00 1.61 1.02 -1.26 -4.51 119.74 119.07 1k4p s LYS 226 Ca 0.00 1.71 0.00 0.00 0.02 0.00 0.00 55.97 57.70 1k4p s LYS 226 Cb 0.00 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1k4p s LYS 226 CO 0.00 -0.28 0.29 -0.11 -0.92 0.00 0.00 175.35 174.32