#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4p s ASP 19 N 0.00 4.65 -0.35 -1.43 3.84 -1.26 -5.11 116.67 117.01 1n4p s ASP 19 Ca 0.00 -1.02 -0.08 0.00 -0.00 0.00 0.00 52.55 51.45 1n4p s ASP 19 Cb 0.00 -0.31 0.04 0.00 -1.38 0.00 0.00 42.92 41.27 1n4p s ASP 19 CO 0.00 -0.69 0.14 0.12 -0.00 0.00 0.00 175.17 174.74 1n4p s PHE 20 N -2.60 3.26 -1.03 2.11 5.36 -1.26 -5.01 117.98 118.82 1n4p s PHE 20 Ca 0.41 -1.35 -0.10 0.00 -0.96 0.00 0.00 56.93 54.93 1n4p s PHE 20 Cb 0.00 -2.38 -0.07 0.00 -0.34 0.00 0.00 43.02 40.24 1n4p s PHE 20 CO 0.23 -0.73 2.21 1.28 -1.46 0.00 0.00 175.22 176.76 1n4p n LEU 21 N 4.86 5.48 -0.26 6.12 4.32 -1.26 -4.76 117.00 131.49 1n4p n LEU 21 Ca -0.12 -3.20 -0.03 0.00 -0.02 0.00 0.00 56.01 52.64 1n4p n LEU 21 Cb 0.45 -1.21 0.02 0.00 -1.62 0.00 0.00 43.42 41.07 1n4p n LEU 21 CO 0.33 0.68 0.62 -0.09 -1.22 0.00 0.00 177.39 177.72 1n4p h ARG 22 N 6.40 -0.10 -0.72 3.23 2.43 -1.99 -1.26 114.38 122.37 1n4p h ARG 22 Ca 0.54 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.71 1n4p h ARG 22 Cb 0.30 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1n4p h ARG 22 CO 1.62 -0.06 0.42 -0.44 -1.51 0.00 0.00 179.97 180.00 1n4p h ASP 23 N -0.10 0.87 -0.77 -3.80 3.32 -2.00 -1.72 116.42 112.22 1n4p h ASP 23 Ca 0.28 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1n4p h ASP 23 Cb 0.57 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1n4p h ASP 23 CO -0.79 0.68 0.36 -0.09 -1.72 0.00 0.00 179.24 177.68 1n4p h ARG 24 N 1.00 1.11 -0.01 3.56 9.65 -1.65 -2.09 114.38 125.94 1n4p h ARG 24 Ca 0.26 -0.17 -0.10 0.00 -1.10 0.00 0.00 59.98 58.87 1n4p h ARG 24 Cb -0.02 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 1n4p h ARG 24 CO -0.05 0.87 -0.46 0.45 2.80 0.00 0.00 179.97 183.58 1n4p h HIS 25 N 1.09 0.03 -0.37 2.20 3.86 -0.85 -0.90 115.15 120.21 1n4p h HIS 25 Ca 0.26 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.41 1n4p h HIS 25 Cb 0.13 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1n4p h HIS 25 CO 0.01 0.48 0.02 0.28 0.86 0.00 0.00 177.93 179.58 1n4p h VAL 26 N 0.02 1.25 -0.45 2.45 2.07 -0.72 -1.57 116.25 119.31 1n4p h VAL 26 Ca -0.00 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1n4p h VAL 26 Cb 0.82 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1n4p h VAL 26 CO 0.06 0.32 0.17 0.03 0.02 0.00 0.00 177.57 178.17 1n4p h ARG 27 N 0.47 0.68 -0.34 1.57 3.08 -1.18 -1.28 114.38 117.38 1n4p h ARG 27 Ca 0.11 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.10 1n4p h ARG 27 Cb 0.43 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 1n4p h ARG 27 CO 0.02 0.63 -0.16 0.35 -1.07 0.00 0.00 179.97 179.73 1n4p h PHE 28 N 0.58 -0.40 -0.37 3.04 3.57 -0.93 -0.21 116.94 122.23 1n4p h PHE 28 Ca 0.15 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1n4p h PHE 28 Cb 0.21 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1n4p h PHE 28 CO 0.00 -0.24 0.02 0.74 -2.23 0.00 0.00 178.31 176.60 1n4p h PHE 29 N -0.11 0.59 -0.57 0.41 0.05 -1.06 -2.34 116.94 113.91 1n4p h PHE 29 Ca 0.17 -0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.91 1n4p h PHE 29 Cb 0.37 -0.17 -0.03 0.00 2.00 0.00 0.00 35.95 38.12 1n4p h PHE 29 CO -0.38 0.57 0.38 1.96 -0.18 0.00 0.00 178.31 180.66 1n4p h GLN 30 N 0.55 0.76 -0.14 1.51 4.20 0.10 -1.75 115.11 120.33 1n4p h GLN 30 Ca 0.12 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1n4p h GLN 30 Cb 0.33 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1n4p h GLN 30 CO 0.01 0.50 -0.16 0.00 -0.67 0.00 0.00 178.83 178.51 1n4p h ARG 31 N 0.78 0.22 -0.22 1.46 3.08 -0.66 -2.32 114.38 116.73 1n4p h ARG 31 Ca 0.21 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1n4p h ARG 31 Cb -0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1n4p h ARG 31 CO -0.04 0.39 -0.01 0.00 -1.07 0.00 0.00 179.97 179.23 1n4p n LEU 33 N -4.35 0.10 0.00 0.00 7.99 -0.88 -4.76 117.00 115.10 1n4p n LEU 33 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 1n4p n LEU 33 Cb 0.20 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 1n4p n LEU 33 CO 0.37 0.02 0.00 0.00 -1.51 0.00 0.00 177.39 176.27 1n4p n GLN 34 N -1.39 0.00 -5.10 3.23 6.02 -0.67 -5.08 117.38 114.39 1n4p n GLN 34 Ca 0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.80 1n4p n GLN 34 Cb 0.31 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.41 1n4p n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1n4p s VAL 35 N 1.27 1.77 0.13 5.09 1.01 -1.25 -5.12 120.40 123.29 1n4p s VAL 35 Ca 0.00 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1n4p s VAL 35 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1n4p s VAL 35 CO 0.00 0.50 -0.18 -0.76 0.00 0.00 0.00 175.10 174.66 1n4p s LEU 36 N -0.40 2.70 0.74 3.92 1.43 -1.26 -4.96 118.68 120.85 1n4p s LEU 36 Ca 0.05 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 1n4p s LEU 36 Cb -0.10 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.65 1n4p s LEU 36 CO 0.00 0.17 1.13 -2.84 0.23 0.00 0.00 176.35 175.04 1n4p s PRO 37 N -2.26 2.29 0.00 1.29 0.02 -1.26 -4.88 135.00 130.20 1n4p s PRO 37 Ca 0.19 1.42 0.01 0.00 0.02 0.00 0.00 61.00 62.64 1n4p s PRO 37 Cb -0.10 -1.88 0.06 0.00 0.02 0.00 0.00 34.50 32.60 1n4p s PRO 37 CO 0.11 -1.65 1.03 -1.91 -0.33 0.00 0.00 177.00 174.24 1n4p n GLU 38 N -3.02 0.00 0.16 5.54 2.13 -1.26 -1.61 120.64 122.57 1n4p n GLU 38 Ca 0.11 0.46 0.13 0.00 0.66 0.00 0.00 57.16 58.52 1n4p n GLU 38 Cb 0.52 -1.50 0.55 0.00 0.27 0.00 0.00 31.44 31.28 1n4p n GLU 38 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1n4p h ARG 39 N 0.00 0.00 -0.65 5.31 2.43 -2.06 -2.38 114.38 117.04 1n4p h ARG 39 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1n4p h ARG 39 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1n4p h ARG 39 CO 0.00 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.12 1n4p n TYR 40 N -2.34 1.58 -0.16 2.20 4.02 -0.64 -4.61 117.16 117.22 1n4p n TYR 40 Ca 0.01 -0.63 0.28 0.00 -0.01 0.00 0.00 57.90 57.55 1n4p n TYR 40 Cb 0.19 -0.28 0.72 0.00 -0.02 0.00 0.00 39.34 39.96 1n4p n TYR 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1n4p h SER 41 N 4.13 0.00 0.07 7.72 4.64 -1.63 0.11 113.55 128.59 1n4p h SER 41 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n4p h SER 41 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1n4p h SER 41 CO 0.27 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.69 1n4p n SER 42 N -4.26 0.00 -0.67 4.97 3.41 -1.26 -2.05 113.62 113.76 1n4p n SER 42 Ca 0.18 -0.51 0.12 0.00 -0.26 0.00 0.00 58.87 58.39 1n4p n SER 42 Cb 0.93 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.89 1n4p n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n4p n LEU 43 N -1.06 2.36 -0.25 1.04 4.77 0.02 -4.59 117.00 119.30 1n4p n LEU 43 Ca 0.14 -0.83 -0.02 0.00 -0.03 0.00 0.00 56.01 55.28 1n4p n LEU 43 Cb 0.09 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1n4p n LEU 43 CO 0.12 0.42 0.66 -0.08 -1.33 0.00 0.00 177.39 177.17 1n4p h GLU 44 N 3.30 -0.08 0.00 3.23 4.57 -1.56 -0.13 114.58 123.91 1n4p h GLU 44 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1n4p h GLU 44 Cb 0.84 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1n4p h GLU 44 CO 0.00 -0.05 0.00 0.25 -1.18 0.00 0.00 179.01 178.03 1n4p n THR 45 N -5.47 0.00 -2.67 0.32 -2.24 -1.26 -3.27 114.28 99.69 1n4p n THR 45 Ca 0.07 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.87 1n4p n THR 45 Cb 0.37 -0.33 0.04 0.00 -2.10 0.00 0.00 70.33 68.31 1n4p n THR 45 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n4p n SER 46 N -0.74 1.10 0.13 3.42 3.41 -0.11 -4.07 113.62 116.78 1n4p n SER 46 Ca 0.09 -2.02 0.03 0.00 -0.26 0.00 0.00 58.87 56.71 1n4p n SER 46 Cb 0.04 -0.32 0.40 0.00 -0.26 0.00 0.00 64.21 64.07 1n4p n SER 46 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1n4p h ARG 47 N 1.83 0.20 -0.63 4.33 3.08 -1.27 -2.53 114.38 119.39 1n4p h ARG 47 Ca -0.21 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1n4p h ARG 47 Cb 1.51 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.50 1n4p h ARG 47 CO 0.11 0.35 0.36 1.25 -1.07 0.00 0.00 179.97 180.98 1n4p h LEU 48 N 0.19 0.77 -0.40 3.04 5.85 -1.54 0.39 115.31 123.60 1n4p h LEU 48 Ca 0.04 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1n4p h LEU 48 Cb 0.38 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1n4p h LEU 48 CO 0.02 0.61 -0.35 0.71 -0.34 0.00 0.00 178.44 179.09 1n4p h THR 49 N 0.88 0.67 -0.41 1.05 1.35 -1.75 -0.77 112.91 113.92 1n4p h THR 49 Ca 0.23 -1.70 -0.15 0.00 -0.55 0.00 0.00 66.41 64.24 1n4p h THR 49 Cb -0.00 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1n4p h THR 49 CO -0.04 0.34 -0.33 0.40 -0.25 0.00 0.00 175.52 175.64 1n4p h ILE 50 N 0.00 1.27 -0.62 6.82 1.08 -1.11 -1.20 117.51 123.75 1n4p h ILE 50 Ca -0.00 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 62.97 1n4p h ILE 50 Cb 1.12 1.31 -0.03 0.00 -3.07 0.00 0.00 36.82 36.15 1n4p h ILE 50 CO 0.05 0.51 0.40 0.00 -0.69 0.00 0.00 178.15 178.41 1n4p h ALA 51 N 0.80 0.79 -0.16 1.87 0.00 -0.60 -1.75 119.26 120.20 1n4p h ALA 51 Ca 0.08 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1n4p h ALA 51 Cb 0.92 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1n4p h ALA 51 CO 0.09 0.23 -0.08 0.35 0.00 0.00 0.00 179.25 179.84 1n4p h PHE 52 N 0.84 -0.19 -0.97 0.00 3.57 -0.77 0.37 116.94 119.79 1n4p h PHE 52 Ca 0.23 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1n4p h PHE 52 Cb -0.08 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 1n4p h PHE 52 CO -0.03 -0.13 0.63 0.74 -2.23 0.00 0.00 178.31 177.30 1n4p h PHE 53 N -0.06 1.16 -0.01 0.41 0.05 -0.86 0.24 116.94 117.87 1n4p h PHE 53 Ca 0.09 0.03 -0.13 0.00 3.82 0.00 0.00 57.97 61.78 1n4p h PHE 53 Cb 0.20 -0.38 0.01 0.00 2.00 0.00 0.00 35.95 37.77 1n4p h PHE 53 CO -0.22 0.63 -0.49 0.00 -0.18 0.00 0.00 178.31 178.05 1n4p h ALA 54 N 1.46 0.07 -0.09 2.45 0.00 -0.69 -1.61 119.26 120.86 1n4p h ALA 54 Ca 0.41 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1n4p h ALA 54 Cb 0.12 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n4p h ALA 54 CO -0.15 0.27 -0.02 -0.07 0.00 0.00 0.00 179.25 179.28 1n4p h LEU 55 N -0.22 0.17 -1.37 0.00 3.38 -0.10 0.43 115.31 117.62 1n4p h LEU 55 Ca -0.06 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 1n4p h LEU 55 Cb 1.21 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1n4p h LEU 55 CO 0.10 0.51 -0.32 -1.28 0.09 0.00 0.00 178.44 177.54 1n4p h SER 56 N -0.17 0.00 -0.37 -0.43 0.87 -0.65 0.12 113.55 112.92 1n4p h SER 56 Ca 0.02 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 1n4p h SER 56 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1n4p h SER 56 CO 0.01 0.32 -0.36 1.23 -0.53 0.00 0.00 176.83 177.50 1n4p h GLY 57 N 1.00 0.98 1.04 5.77 0.00 -1.06 0.41 103.07 111.21 1n4p h GLY 57 Ca -0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.21 1n4p h GLY 57 CO 0.04 0.90 -0.20 1.41 0.00 0.00 0.00 176.54 178.69 1n4p h LEU 58 N 0.71 0.89 -0.47 3.11 3.38 -0.26 -2.21 115.31 120.46 1n4p h LEU 58 Ca 0.06 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1n4p h LEU 58 Cb 0.95 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1n4p h LEU 58 CO 0.09 1.10 0.30 -0.78 0.09 0.00 0.00 178.44 179.24 1n4p h ASP 59 N 0.68 0.51 0.02 -0.43 -0.00 -0.69 0.12 116.42 116.62 1n4p h ASP 59 Ca 0.09 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1n4p h ASP 59 Cb 0.76 -0.12 -0.00 0.00 -0.00 0.00 0.00 39.33 39.97 1n4p h ASP 59 CO 0.06 0.37 -0.02 -0.03 -0.00 0.00 0.00 179.24 179.62 1n4p h MET 60 N 0.61 0.01 -0.18 0.28 4.05 -0.73 -0.33 114.93 118.64 1n4p h MET 60 Ca 0.18 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1n4p h MET 60 Cb -0.05 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1n4p h MET 60 CO -0.05 0.02 0.00 1.28 0.23 0.00 0.00 176.91 178.39 1n4p n LEU 61 N -4.51 2.61 -3.33 3.39 4.77 -0.59 -0.19 117.00 119.13 1n4p n LEU 61 Ca -0.03 -1.01 -0.16 0.00 -0.03 0.00 0.00 56.01 54.78 1n4p n LEU 61 Cb 0.11 -0.11 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1n4p n LEU 61 CO 0.34 0.51 0.10 -0.67 -1.33 0.00 0.00 177.39 176.34 1n4p n ASP 62 N 0.98 -2.40 -0.66 -1.43 2.03 0.21 -4.94 116.55 110.34 1n4p n ASP 62 Ca 0.17 -0.61 0.03 0.00 0.52 0.00 0.00 54.79 54.91 1n4p n ASP 62 Cb 0.50 -4.98 0.05 0.00 -0.72 0.00 0.00 41.12 35.98 1n4p n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1n4p n SER 63 N -3.07 0.85 0.08 1.67 7.64 0.06 -4.85 113.62 116.01 1n4p n SER 63 Ca -0.26 -2.39 0.05 0.00 1.01 0.00 0.00 58.87 57.28 1n4p n SER 63 Cb 0.66 -0.30 0.28 0.00 -1.01 0.00 0.00 64.21 63.84 1n4p n SER 63 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n4p n LEU 64 N -0.27 0.27 0.20 -3.43 4.77 -1.25 -1.73 117.00 115.55 1n4p n LEU 64 Ca 0.06 0.61 0.06 0.00 -0.03 0.00 0.00 56.01 56.72 1n4p n LEU 64 Cb 0.79 -0.64 0.43 0.00 -2.33 0.00 0.00 43.42 41.67 1n4p n LEU 64 CO -0.01 -0.70 0.76 -2.24 -1.33 0.00 0.00 177.39 173.86 1n4p h ASP 65 N 0.00 0.00 0.00 -1.43 2.03 -1.95 -3.04 116.42 112.03 1n4p h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1n4p h ASP 65 Cb 0.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 1n4p h ASP 65 CO 0.00 0.32 0.00 1.33 -1.03 0.00 0.00 179.24 179.86 1n4p n VAL 66 N -3.69 0.00 -4.28 4.15 0.24 -0.71 -4.73 118.33 109.31 1n4p n VAL 66 Ca -0.01 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.14 1n4p n VAL 66 Cb 0.42 -0.47 -0.10 0.00 -1.47 0.00 0.00 33.84 32.22 1n4p n VAL 66 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1n4p s VAL 67 N -2.00 1.33 -0.87 3.34 -7.23 -1.15 -5.08 120.40 108.74 1n4p s VAL 67 Ca 0.13 -2.10 -0.18 0.00 -1.81 0.00 0.00 61.98 58.02 1n4p s VAL 67 Cb 0.06 -1.90 0.14 0.00 0.56 0.00 0.00 36.38 35.24 1n4p s VAL 67 CO 0.10 -0.70 1.03 0.21 -0.31 0.00 0.00 175.10 175.43 1n4p s ASN 68 N -3.20 6.58 0.34 4.85 3.84 -1.26 -4.89 114.94 121.20 1n4p s ASN 68 Ca 0.18 -2.02 0.12 0.00 0.21 0.00 0.00 52.86 51.35 1n4p s ASN 68 Cb 0.02 -2.37 0.96 0.00 -0.55 0.00 0.00 41.25 39.31 1n4p s ASN 68 CO 0.02 -1.02 1.72 0.11 -2.79 0.00 0.00 177.10 175.14 1n4p h LYS 69 N 8.76 0.49 -0.41 0.43 1.57 -1.93 -1.62 116.57 123.86 1n4p h LYS 69 Ca 0.09 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1n4p h LYS 69 Cb 1.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1n4p h LYS 69 CO 1.06 0.33 -0.06 -0.44 -0.57 0.00 0.00 179.45 179.77 1n4p h ASP 70 N 0.51 0.77 -0.01 0.86 3.32 -1.92 -0.79 116.42 119.15 1n4p h ASP 70 Ca 0.66 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 1n4p h ASP 70 Cb 1.36 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1n4p h ASP 70 CO -0.47 0.92 0.01 0.44 -1.72 0.00 0.00 179.24 178.42 1n4p h ASP 71 N 0.59 0.01 -0.85 6.45 3.32 -1.73 -2.45 116.42 121.77 1n4p h ASP 71 Ca 0.11 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1n4p h ASP 71 Cb 0.57 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1n4p h ASP 71 CO 0.03 0.07 0.46 0.40 -1.72 0.00 0.00 179.24 178.49 1n4p h ILE 72 N -0.05 1.25 -0.65 0.35 2.04 -1.44 -1.62 117.51 117.40 1n4p h ILE 72 Ca 0.00 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1n4p h ILE 72 Cb 0.07 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 1n4p h ILE 72 CO -0.00 0.28 0.41 0.40 0.00 0.00 0.00 178.15 179.24 1n4p h ILE 73 N 1.19 1.18 -0.37 -0.67 2.04 -0.97 0.08 117.51 120.00 1n4p h ILE 73 Ca 0.30 -0.35 -0.16 0.00 1.00 0.00 0.00 64.86 65.65 1n4p h ILE 73 Cb 0.03 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1n4p h ILE 73 CO -0.05 0.18 -0.38 -0.33 0.00 0.00 0.00 178.15 177.57 1n4p h GLU 74 N 0.89 0.91 -0.24 2.37 4.39 -0.92 -1.66 114.58 120.31 1n4p h GLU 74 Ca 0.24 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1n4p h GLU 74 Cb -0.07 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1n4p h GLU 74 CO -0.05 1.13 0.16 2.35 -1.16 0.00 0.00 179.01 181.44 1n4p h TRP 75 N 0.71 0.30 -0.38 4.33 7.01 -0.59 -1.51 115.95 125.83 1n4p h TRP 75 Ca 0.06 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.08 1n4p h TRP 75 Cb 0.98 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.91 1n4p h TRP 75 CO 0.07 0.20 0.22 0.82 -2.79 0.00 0.00 178.44 176.95 1n4p h ILE 76 N 0.32 1.04 0.00 2.65 2.04 -0.91 -1.82 117.51 120.83 1n4p h ILE 76 Ca 0.09 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1n4p h ILE 76 Cb -0.03 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1n4p h ILE 76 CO -0.02 0.08 -0.06 1.88 0.00 0.00 0.00 178.15 180.03 1n4p h TYR 77 N 0.45 0.00 0.00 1.37 0.05 -0.98 0.79 116.97 118.65 1n4p h TYR 77 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1n4p h TYR 77 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1n4p h TYR 77 CO -0.07 0.06 0.00 -1.13 -1.05 0.00 0.00 178.16 175.97 1n4p n SER 78 N -3.49 0.31 -0.33 3.88 3.41 -0.60 -2.38 113.62 114.42 1n4p n SER 78 Ca -0.02 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1n4p n SER 78 Cb 0.19 -0.63 0.27 0.00 -0.26 0.00 0.00 64.21 63.78 1n4p n SER 78 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n4p n LEU 79 N -1.82 1.34 -4.71 1.04 4.77 0.27 -4.64 117.00 113.24 1n4p n LEU 79 Ca 0.04 -0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 55.19 1n4p n LEU 79 Cb 0.26 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1n4p n LEU 79 CO 0.21 0.25 0.75 -1.58 -1.33 0.00 0.00 177.39 175.69 1n4p s GLN 80 N -2.48 4.52 -0.59 3.23 0.74 -1.00 -0.33 119.66 123.74 1n4p s GLN 80 Ca 0.23 1.55 -0.22 0.00 0.05 0.00 0.00 55.36 56.97 1n4p s GLN 80 Cb 0.19 -3.41 0.06 0.00 1.10 0.00 0.00 33.01 30.95 1n4p s GLN 80 CO 0.53 -0.11 0.87 0.08 -0.55 0.00 0.00 175.29 176.10 1n4p s VAL 81 N 0.97 4.50 0.33 1.34 1.01 0.87 -4.89 120.40 124.53 1n4p s VAL 81 Ca 0.54 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 1n4p s VAL 81 Cb -0.24 -4.55 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 1n4p s VAL 81 CO 0.29 -1.20 0.65 -0.76 0.00 0.00 0.00 175.10 174.07 1n4p s LEU 82 N 3.61 3.98 0.52 3.92 1.43 -1.26 -3.07 118.68 127.82 1n4p s LEU 82 Ca 0.22 0.92 -0.21 0.00 -1.03 0.00 0.00 54.13 54.03 1n4p s LEU 82 Cb -0.17 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 42.24 1n4p s LEU 82 CO 0.13 -0.27 1.17 -2.16 0.23 0.00 0.00 176.35 175.45 1n4p s PRO 83 N -3.59 3.41 0.90 1.29 0.04 -1.26 -4.23 135.00 131.56 1n4p s PRO 83 Ca 0.47 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 1n4p s PRO 83 Cb -0.11 -2.15 0.13 0.00 0.04 0.00 0.00 34.50 32.42 1n4p s PRO 83 CO 0.29 -0.84 1.17 0.95 0.04 0.00 0.00 177.00 178.61 1n4p s THR 84 N -1.63 1.98 0.20 1.26 -4.23 -1.26 -2.40 115.64 109.56 1n4p s THR 84 Ca 0.70 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 61.07 1n4p s THR 84 Cb -0.28 -2.83 0.21 0.00 1.34 0.00 0.00 72.50 70.94 1n4p s THR 84 CO 0.32 0.00 1.63 1.05 -0.54 0.00 0.00 174.62 177.08 1n4p h GLU 85 N -1.43 0.00 0.00 3.99 9.09 -1.96 0.37 114.58 124.64 1n4p h GLU 85 Ca -0.48 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1n4p h GLU 85 Cb 1.32 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1n4p h GLU 85 CO 0.60 0.00 0.00 -0.40 0.05 0.00 0.00 179.01 179.26 1n4p n ASP 86 N -5.41 0.00 -4.25 3.06 3.85 -1.26 -4.90 116.55 107.64 1n4p n ASP 86 Ca 0.07 -1.30 -0.33 0.00 -0.71 0.00 0.00 54.79 52.51 1n4p n ASP 86 Cb 0.31 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.02 1n4p n ASP 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1n4p n ARG 87 N -0.82 -1.98 -0.25 0.11 1.74 0.13 -4.84 116.66 110.75 1n4p n ARG 87 Ca 0.14 0.24 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 1n4p n ARG 87 Cb 0.07 -4.38 0.25 0.00 -1.02 0.00 0.00 32.46 27.37 1n4p n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n4p n SER 88 N -2.78 3.65 -0.77 0.55 3.41 -1.26 -4.29 113.62 112.13 1n4p n SER 88 Ca -0.15 -2.00 0.06 0.00 -0.26 0.00 0.00 58.87 56.53 1n4p n SER 88 Cb 0.60 -0.33 0.16 0.00 -0.26 0.00 0.00 64.21 64.38 1n4p n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1n4p n ASN 89 N 1.55 1.56 -0.37 4.04 6.94 -1.26 -4.82 115.26 122.90 1n4p n ASN 89 Ca 0.21 -3.44 -0.01 0.00 -0.02 0.00 0.00 54.58 51.32 1n4p n ASN 89 Cb 0.61 -0.47 0.13 0.00 -2.36 0.00 0.00 39.78 37.69 1n4p n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1n4p h LEU 90 N 0.95 1.12 0.00 -4.53 3.38 -1.95 -1.79 115.31 112.50 1n4p h LEU 90 Ca -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n4p h LEU 90 Cb 1.20 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1n4p h LEU 90 CO 0.02 0.79 0.00 0.47 0.09 0.00 0.00 178.44 179.81 1n4p n ASP 91 N -4.41 0.00 -0.04 -0.43 9.92 -1.26 -2.15 116.55 118.18 1n4p n ASP 91 Ca 0.13 -0.24 0.01 0.00 -0.53 0.00 0.00 54.79 54.16 1n4p n ASP 91 Cb 0.05 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.55 1n4p n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1n4p n ARG 92 N -0.99 1.78 -2.33 -1.24 1.74 -0.67 -4.66 116.66 110.29 1n4p n ARG 92 Ca 0.05 -1.35 -0.30 0.00 -0.77 0.00 0.00 57.85 55.48 1n4p n ARG 92 Cb 0.02 -0.90 -0.01 0.00 -1.02 0.00 0.00 32.46 30.55 1n4p n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n4p n GLY 94 N -2.11 0.06 3.26 0.00 0.00 -1.17 -4.41 105.19 100.81 1n4p n GLY 94 Ca 0.04 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 1n4p n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n4p s PHE 95 N -4.00 1.67 0.33 1.61 0.40 -1.26 -0.09 117.98 116.63 1n4p s PHE 95 Ca 0.00 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1n4p s PHE 95 Cb 0.00 -0.92 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 1n4p s PHE 95 CO 0.00 0.17 0.54 1.03 0.70 0.00 0.00 175.22 177.66 1n4p s ARG 96 N -1.87 3.51 0.29 0.44 0.52 0.55 -0.89 118.95 121.51 1n4p s ARG 96 Ca 0.05 -0.27 0.15 0.00 -0.52 0.00 0.00 55.73 55.14 1n4p s ARG 96 Cb -0.10 -2.67 0.26 0.00 0.52 0.00 0.00 34.95 32.95 1n4p s ARG 96 CO 0.04 0.18 1.53 0.78 0.02 0.00 0.00 175.30 177.84 1n4p h GLY 97 N 1.02 0.00 0.00 -3.53 0.00 -1.89 -3.46 103.07 95.22 1n4p h GLY 97 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1n4p h GLY 97 CO 0.63 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.03 1n4p n SER 98 N -3.38 0.00 -1.62 0.19 3.41 -1.26 -1.36 113.62 109.60 1n4p n SER 98 Ca 0.01 -0.67 -0.03 0.00 -0.26 0.00 0.00 58.87 57.92 1n4p n SER 98 Cb 0.68 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.91 1n4p n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n4p n SER 99 N -0.44 4.24 0.09 4.04 3.41 -1.26 -4.70 113.62 119.00 1n4p n SER 99 Ca 0.00 -3.28 0.05 0.00 -0.26 0.00 0.00 58.87 55.38 1n4p n SER 99 Cb 0.00 -0.69 0.26 0.00 -0.26 0.00 0.00 64.21 63.53 1n4p n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4p n TYR 100 N -0.41 0.33 0.76 7.33 4.11 -1.26 -1.57 117.16 126.45 1n4p n TYR 100 Ca 0.36 0.17 0.13 0.00 -0.00 0.00 0.00 57.90 58.56 1n4p n TYR 100 Cb 1.23 -0.67 0.37 0.00 -0.00 0.00 0.00 39.34 40.26 1n4p n TYR 100 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1n4p n LEU 101 N -1.82 0.54 0.00 -3.48 4.77 -1.26 -4.94 117.00 110.81 1n4p n LEU 101 Ca -0.01 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1n4p n LEU 101 Cb 0.14 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1n4p n LEU 101 CO 0.04 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1n4p n GLY 102 N 1.39 0.60 3.73 -0.72 0.00 -0.61 -5.02 105.19 104.56 1n4p n GLY 102 Ca 0.05 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1n4p n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4p s ILE 103 N -2.00 3.47 0.29 -0.61 1.01 -1.26 -4.94 121.20 117.15 1n4p s ILE 103 Ca 0.00 1.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.54 1n4p s ILE 103 Cb 0.00 -3.75 -0.13 0.00 0.01 0.00 0.00 42.46 38.59 1n4p s ILE 103 CO 0.00 0.16 1.33 -0.81 0.00 0.00 0.00 174.94 175.62 1n4p n PRO 104 N 2.86 2.05 -1.63 2.79 -0.04 -1.26 -4.87 135.00 134.91 1n4p n PRO 104 Ca 0.06 0.73 -0.49 0.00 -0.04 0.00 0.00 63.50 63.75 1n4p n PRO 104 Cb 0.44 -2.33 -0.05 0.00 -0.04 0.00 0.00 33.50 31.52 1n4p n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n4p n PHE 105 N 1.05 1.89 -3.19 0.54 7.35 -1.26 -4.97 117.46 118.88 1n4p n PHE 105 Ca 0.08 0.45 0.02 0.00 -0.76 0.00 0.00 57.45 57.24 1n4p n PHE 105 Cb 0.34 -2.44 -0.01 0.00 0.35 0.00 0.00 39.48 37.72 1n4p n PHE 105 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1n4p s ASN 106 N 0.79 -1.54 -0.44 -2.13 2.47 -1.26 -5.06 114.94 107.78 1n4p s ASN 106 Ca 0.82 -0.44 -0.13 0.00 0.42 0.00 0.00 52.86 53.54 1n4p s ASN 106 Cb -0.82 1.98 -0.12 0.00 -1.45 0.00 0.00 41.25 40.83 1n4p s ASN 106 CO 0.43 -0.22 1.64 -0.81 -3.72 0.00 0.00 177.10 174.43 1n4p n PRO 107 N 4.78 0.94 -4.03 0.43 -0.04 -1.26 -4.13 135.00 131.69 1n4p n PRO 107 Ca 0.09 -1.17 -0.28 0.00 -0.04 0.00 0.00 63.50 62.10 1n4p n PRO 107 Cb 0.56 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 1n4p n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1n4p n SER 108 N 6.09 -0.80 0.00 3.54 7.64 -1.11 -4.74 113.62 124.24 1n4p n SER 108 Ca 0.33 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1n4p n SER 108 Cb 0.21 -2.89 0.00 0.00 -1.01 0.00 0.00 64.21 60.52 1n4p n SER 108 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n4p n LYS 109 N -4.42 0.00 -0.83 1.43 5.02 -1.26 -5.03 118.16 113.07 1n4p n LYS 109 Ca -0.24 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.77 1n4p n LYS 109 Cb 0.65 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.89 1n4p n LYS 109 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n4p s ASN 110 N -0.99 1.44 1.22 4.39 2.20 -1.26 -5.02 114.94 116.92 1n4p s ASN 110 Ca 0.00 1.25 -0.18 0.00 -0.94 0.00 0.00 52.86 52.99 1n4p s ASN 110 Cb 0.00 -1.94 0.27 0.00 -2.00 0.00 0.00 41.25 37.58 1n4p s ASN 110 CO 0.00 -3.88 0.95 -0.81 -2.94 0.00 0.00 177.10 170.42 1n4p n PRO 111 N -4.68 -2.89 -2.46 3.55 -0.04 -1.26 -4.98 135.00 122.24 1n4p n PRO 111 Ca 0.05 -1.51 -0.41 0.00 -0.04 0.00 0.00 63.50 61.59 1n4p n PRO 111 Cb 0.56 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 1n4p n PRO 111 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1n4p s GLY 112 N -4.19 2.95 -0.44 0.55 0.00 -1.01 -5.01 107.32 100.17 1n4p s GLY 112 Ca 0.62 0.90 -0.15 0.00 0.00 0.00 0.00 44.72 46.08 1n4p s GLY 112 CO 0.47 1.60 0.35 -0.51 0.00 0.00 0.00 173.10 175.02 1n4p s THR 113 N -0.77 5.16 0.18 0.90 -4.23 -1.26 -4.38 115.64 111.24 1n4p s THR 113 Ca 0.47 -0.94 -0.30 0.00 -1.18 0.00 0.00 61.69 59.74 1n4p s THR 113 Cb -0.32 -4.01 -0.17 0.00 1.34 0.00 0.00 72.50 69.34 1n4p s THR 113 CO 0.39 -0.47 0.62 0.00 -0.54 0.00 0.00 174.62 174.62 1n4p n ALA 114 N 5.16 -2.79 -3.66 3.99 0.00 -1.26 -5.00 120.51 116.95 1n4p n ALA 114 Ca -0.12 0.46 -0.06 0.00 0.00 0.00 0.00 53.44 53.72 1n4p n ALA 114 Cb 0.45 -1.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 1n4p n ALA 114 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1n4p s HIS 115 N -0.87 -0.99 0.40 0.00 5.04 -1.26 -5.06 115.29 112.54 1n4p s HIS 115 Ca 0.67 1.89 0.21 0.00 -1.54 0.00 0.00 55.06 56.30 1n4p s HIS 115 Cb -0.96 0.54 1.20 0.00 0.04 0.00 0.00 32.58 33.41 1n4p s HIS 115 CO 0.56 -0.52 1.69 -1.35 -2.34 0.00 0.00 174.74 172.79 1n4p h PRO 116 N 7.52 0.27 0.00 2.88 0.11 -2.05 -2.84 132.00 137.90 1n4p h PRO 116 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1n4p h PRO 116 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1n4p h PRO 116 CO 0.16 0.18 -0.05 0.66 -0.21 0.00 0.00 178.00 178.75 1n4p n TYR 117 N -4.76 0.00 -3.23 0.65 4.01 -1.26 -5.02 117.16 107.55 1n4p n TYR 117 Ca 0.31 -0.77 -0.39 0.00 -0.16 0.00 0.00 57.90 56.89 1n4p n TYR 117 Cb 1.08 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.94 1n4p n TYR 117 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1n4p s ASP 118 N -2.22 6.65 0.25 7.72 2.15 -1.07 -5.03 116.67 125.12 1n4p s ASP 118 Ca 0.21 0.78 -0.22 0.00 0.43 0.00 0.00 52.55 53.76 1n4p s ASP 118 Cb 0.19 -2.31 0.03 0.00 -0.30 0.00 0.00 42.92 40.53 1n4p s ASP 118 CO 0.02 -0.13 0.79 -0.94 -0.17 0.00 0.00 175.17 174.74 1n4p s SER 119 N 0.96 -0.23 0.76 -0.34 1.04 -1.26 -4.91 113.70 109.73 1n4p s SER 119 Ca 0.26 -0.58 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 1n4p s SER 119 Cb -0.16 0.67 0.10 0.00 0.10 0.00 0.00 66.02 66.74 1n4p s SER 119 CO 0.11 -1.24 1.08 -0.83 0.98 0.00 0.00 173.24 173.33 1n4p s GLY 120 N -2.94 1.72 -0.09 7.32 0.00 -0.60 -4.61 107.32 108.13 1n4p s GLY 120 Ca 0.12 -1.11 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 1n4p s GLY 120 CO 0.06 -0.60 -0.06 -1.58 0.00 0.00 0.00 173.10 170.92 1n4p s HIS 121 N -3.37 1.16 0.32 1.90 5.04 -0.07 -4.56 115.29 115.71 1n4p s HIS 121 Ca 0.64 -0.49 0.11 0.00 -1.54 0.00 0.00 55.06 53.78 1n4p s HIS 121 Cb -0.08 -1.02 0.94 0.00 0.04 0.00 0.00 32.58 32.46 1n4p s HIS 121 CO 0.46 -0.39 1.71 0.97 -2.34 0.00 0.00 174.74 175.16 1n4p h ILE 122 N 6.18 0.47 0.00 0.89 2.10 -0.92 0.38 117.51 126.62 1n4p h ILE 122 Ca -0.29 -0.18 -0.06 0.00 1.08 0.00 0.00 64.86 65.42 1n4p h ILE 122 Cb 1.14 -0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.78 1n4p h ILE 122 CO 0.39 0.09 -0.29 0.00 -1.08 0.00 0.00 178.15 177.26 1n4p h ALA 123 N 1.76 1.02 0.15 0.18 0.00 -1.94 -1.88 119.26 118.55 1n4p h ALA 123 Ca 0.67 -0.26 -0.32 0.00 0.00 0.00 0.00 54.91 55.00 1n4p h ALA 123 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1n4p h ALA 123 CO -0.51 0.36 -1.55 0.52 0.00 0.00 0.00 179.25 178.07 1n4p h MET 124 N 0.00 0.32 -0.68 0.00 2.86 -0.64 -1.95 114.93 114.84 1n4p h MET 124 Ca -0.00 -0.55 -0.02 0.00 -2.06 0.00 0.00 59.70 57.07 1n4p h MET 124 Cb 0.81 0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 1n4p h MET 124 CO 0.04 1.21 0.34 1.15 1.06 0.00 0.00 176.91 180.71 1n4p h THR 125 N 0.09 1.22 0.76 2.22 2.02 -0.74 0.46 112.91 118.94 1n4p h THR 125 Ca -0.26 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 1n4p h THR 125 Cb 2.05 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1n4p h THR 125 CO 0.18 0.26 -0.36 0.22 0.37 0.00 0.00 175.52 176.19 1n4p h TYR 126 N 0.95 -0.94 -0.04 3.16 3.20 -1.39 -1.77 116.97 120.14 1n4p h TYR 126 Ca 0.24 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1n4p h TYR 126 Cb 0.10 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1n4p h TYR 126 CO 0.00 -0.57 -0.16 1.79 -1.64 0.00 0.00 178.16 177.58 1n4p h THR 127 N -1.18 1.14 0.66 1.81 1.35 -1.29 -1.02 112.91 114.37 1n4p h THR 127 Ca -0.10 -0.64 -0.03 0.00 -0.55 0.00 0.00 66.41 65.09 1n4p h THR 127 Cb 0.80 1.29 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1n4p h THR 127 CO 0.17 0.19 -0.32 1.23 -0.25 0.00 0.00 175.52 176.54 1n4p h GLY 128 N 0.57 -0.92 0.74 5.82 0.00 -0.02 0.13 103.07 109.40 1n4p h GLY 128 Ca 0.01 0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.73 1n4p h GLY 128 CO 0.02 -0.34 0.39 1.41 0.00 0.00 0.00 176.54 178.02 1n4p h LEU 129 N -1.03 0.59 -0.76 3.11 3.38 -1.20 -0.68 115.31 118.74 1n4p h LEU 129 Ca -0.09 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1n4p h LEU 129 Cb 0.71 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1n4p h LEU 129 CO 0.15 0.39 0.47 -1.28 0.09 0.00 0.00 178.44 178.26 1n4p h SER 130 N 0.73 0.75 -0.40 -0.43 0.87 -1.10 -1.82 113.55 112.15 1n4p h SER 130 Ca 0.29 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.80 1n4p h SER 130 Cb 0.13 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1n4p h SER 130 CO -0.16 0.50 0.04 0.00 -0.53 0.00 0.00 176.83 176.69 1n4p h LEU 132 N 0.53 0.00 -0.53 0.00 3.38 -0.70 -0.34 115.31 117.65 1n4p h LEU 132 Ca 0.12 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1n4p h LEU 132 Cb 0.41 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1n4p h LEU 132 CO 0.01 0.04 0.29 0.40 0.09 0.00 0.00 178.44 179.27 1n4p h ILE 133 N 0.20 1.18 -0.95 1.22 2.04 -1.23 -1.48 117.51 118.50 1n4p h ILE 133 Ca 0.19 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1n4p h ILE 133 Cb 0.23 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1n4p h ILE 133 CO -0.25 0.20 0.62 0.40 0.00 0.00 0.00 178.15 179.11 1n4p h ILE 134 N 0.71 1.17 0.00 -0.67 2.04 -0.75 -1.77 117.51 118.25 1n4p h ILE 134 Ca 0.19 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1n4p h ILE 134 Cb 0.05 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 35.99 1n4p h ILE 134 CO -0.03 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.52 1n4p n LEU 135 N -4.47 0.00 0.00 1.44 4.77 -0.19 -4.89 117.00 113.65 1n4p n LEU 135 Ca 0.12 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1n4p n LEU 135 Cb 0.08 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1n4p n LEU 135 CO 0.35 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1n4p n GLY 136 N 0.74 0.44 3.70 -0.72 0.00 -0.66 -4.94 105.19 103.75 1n4p n GLY 136 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1n4p n GLY 136 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n4p s ASP 137 N -2.61 3.59 0.00 1.61 -1.08 -0.60 -4.94 116.67 112.63 1n4p s ASP 137 Ca 0.00 2.19 0.20 0.00 -0.52 0.00 0.00 52.55 54.42 1n4p s ASP 137 Cb 0.00 -2.57 0.36 0.00 -1.46 0.00 0.00 42.92 39.25 1n4p s ASP 137 CO 0.00 -2.66 1.30 -0.90 0.52 0.00 0.00 175.17 173.43 1n4p n ASP 138 N -3.63 3.19 -0.53 -0.34 5.68 -1.26 -4.50 116.55 115.17 1n4p n ASP 138 Ca 0.12 -1.92 -0.07 0.00 -0.50 0.00 0.00 54.79 52.42 1n4p n ASP 138 Cb 0.52 -0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 40.26 1n4p n ASP 138 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1n4p n LEU 139 N 1.26 -0.15 0.22 -2.12 4.32 -1.26 -4.88 117.00 114.39 1n4p n LEU 139 Ca 0.16 0.17 0.06 0.00 -0.02 0.00 0.00 56.01 56.38 1n4p n LEU 139 Cb 0.54 -1.97 0.51 0.00 -1.62 0.00 0.00 43.42 40.88 1n4p n LEU 139 CO 0.14 -0.70 0.88 0.77 -1.22 0.00 0.00 177.39 177.25 1n4p h SER 140 N 0.00 0.00 -0.09 -1.43 4.64 -2.02 -1.94 113.55 112.70 1n4p h SER 140 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1n4p h SER 140 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1n4p h SER 140 CO 0.21 0.21 0.00 0.54 -0.87 0.00 0.00 176.83 176.91 1n4p n ARG 141 N -4.20 1.44 -3.21 4.77 1.74 -1.26 -4.81 116.66 111.14 1n4p n ARG 141 Ca -0.02 -0.66 -0.39 0.00 -0.77 0.00 0.00 57.85 56.00 1n4p n ARG 141 Cb 0.27 -1.37 -0.06 0.00 -1.02 0.00 0.00 32.46 30.28 1n4p n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n4p s VAL 142 N -1.88 5.09 -1.22 1.55 1.01 -0.73 -4.97 120.40 119.24 1n4p s VAL 142 Ca 0.32 1.02 -0.20 0.00 0.00 0.00 0.00 61.98 63.12 1n4p s VAL 142 Cb 0.16 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.72 1n4p s VAL 142 CO 0.25 0.16 1.70 -0.62 0.00 0.00 0.00 175.10 176.60 1n4p s ASP 143 N 1.15 6.57 0.23 3.32 -1.08 -1.26 -4.81 116.67 120.79 1n4p s ASP 143 Ca 0.25 -2.12 -0.08 0.00 -0.52 0.00 0.00 52.55 50.08 1n4p s ASP 143 Cb -0.16 -2.58 0.38 0.00 -1.46 0.00 0.00 42.92 39.10 1n4p s ASP 143 CO 0.10 -1.44 1.67 0.11 0.52 0.00 0.00 175.17 176.13 1n4p h LYS 144 N 8.33 0.18 -0.22 4.34 1.57 -1.93 -0.82 116.57 128.02 1n4p h LYS 144 Ca 0.37 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.09 1n4p h LYS 144 Cb 0.91 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1n4p h LYS 144 CO 1.43 0.12 -0.08 0.93 -0.57 0.00 0.00 179.45 181.28 1n4p h GLU 145 N 0.19 0.35 -0.21 3.15 4.39 -1.99 -1.67 114.58 118.78 1n4p h GLU 145 Ca 0.37 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.93 1n4p h GLU 145 Cb 0.62 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1n4p h GLU 145 CO -0.53 0.44 -0.13 0.00 -1.16 0.00 0.00 179.01 177.63 1n4p h ALA 146 N 1.59 0.30 -0.61 3.43 0.00 -1.56 -0.65 119.26 121.76 1n4p h ALA 146 Ca 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n4p h ALA 146 Cb 0.36 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1n4p h ALA 146 CO 0.02 0.16 0.37 0.00 0.00 0.00 0.00 179.25 179.80 1n4p h LEU 148 N 0.83 0.50 -0.39 0.00 3.38 -1.25 0.24 115.31 118.63 1n4p h LEU 148 Ca 0.22 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1n4p h LEU 148 Cb -0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1n4p h LEU 148 CO -0.04 0.65 0.05 0.00 0.09 0.00 0.00 178.44 179.19 1n4p h ALA 149 N 1.40 0.52 -0.68 1.53 0.00 -0.41 -1.28 119.26 120.34 1n4p h ALA 149 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1n4p h ALA 149 Cb 0.49 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1n4p h ALA 149 CO 0.03 0.25 0.24 0.78 0.00 0.00 0.00 179.25 180.54 1n4p h GLY 150 N 0.50 1.11 0.92 0.00 0.00 -0.20 -2.67 103.07 102.72 1n4p h GLY 150 Ca 0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1n4p h GLY 150 CO 0.01 0.59 -0.22 -2.00 0.00 0.00 0.00 176.54 174.92 1n4p h LEU 151 N 0.97 -0.55 -1.00 3.11 6.46 -0.29 -2.63 115.31 121.38 1n4p h LEU 151 Ca 0.22 0.03 0.20 0.00 -0.12 0.00 0.00 57.88 58.22 1n4p h LEU 151 Cb 0.25 0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 40.23 1n4p h LEU 151 CO -0.01 -0.36 0.60 0.03 -0.62 0.00 0.00 178.44 178.08 1n4p h ARG 152 N -0.57 0.70 0.00 1.25 3.08 -0.95 0.23 114.38 118.11 1n4p h ARG 152 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1n4p h ARG 152 Cb 0.47 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1n4p h ARG 152 CO 0.05 0.46 -0.04 0.00 -1.07 0.00 0.00 179.97 179.37 1n4p h ALA 153 N 1.67 1.24 0.00 0.04 0.00 -1.12 -2.54 119.26 118.55 1n4p h ALA 153 Ca 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1n4p h ALA 153 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1n4p h ALA 153 CO -0.41 0.05 -0.36 -0.07 0.00 0.00 0.00 179.25 178.46 1n4p h LEU 154 N 0.00 0.00 -9.62 0.00 3.38 -0.38 -3.47 115.31 105.23 1n4p h LEU 154 Ca -0.00 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.42 1n4p h LEU 154 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1n4p h LEU 154 CO 0.01 0.02 0.52 -1.58 0.09 0.00 0.00 178.44 177.49 1n4p s GLN 155 N -3.23 4.53 0.60 1.13 0.74 -0.96 -1.69 119.66 120.78 1n4p s GLN 155 Ca 0.06 1.77 0.01 0.00 0.05 0.00 0.00 55.36 57.25 1n4p s GLN 155 Cb 0.09 -3.28 0.06 0.00 1.10 0.00 0.00 33.01 30.98 1n4p s GLN 155 CO 0.70 -0.05 0.83 -0.51 -0.55 0.00 0.00 175.29 175.71 1n4p s LEU 156 N -0.00 3.18 0.23 3.68 1.43 0.49 -4.98 118.68 122.71 1n4p s LEU 156 Ca 0.52 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1n4p s LEU 156 Cb -0.30 -2.53 0.34 0.00 0.03 0.00 0.00 46.19 43.73 1n4p s LEU 156 CO 0.34 -1.36 1.79 1.05 0.23 0.00 0.00 176.35 178.40 1n4p h GLU 157 N -0.08 0.62 0.00 1.70 4.11 -1.96 -1.31 114.58 117.65 1n4p h GLU 157 Ca -0.40 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1n4p h GLU 157 Cb 1.29 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1n4p h GLU 157 CO 0.48 0.41 0.00 -0.40 0.07 0.00 0.00 179.01 179.57 1n4p n ASP 158 N -4.84 0.00 0.00 3.06 3.85 -1.26 -4.87 116.55 112.49 1n4p n ASP 158 Ca 0.11 -0.41 0.00 0.00 -0.71 0.00 0.00 54.79 53.78 1n4p n ASP 158 Cb 0.27 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1n4p n ASP 158 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n4p n GLY 159 N 0.24 3.33 3.94 6.12 0.00 -0.49 -4.08 105.19 114.25 1n4p n GLY 159 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1n4p n GLY 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n4p s SER 160 N -1.06 2.93 0.19 1.61 1.04 -1.26 -3.95 113.70 113.20 1n4p s SER 160 Ca 0.00 0.18 0.08 0.00 0.48 0.00 0.00 55.95 56.69 1n4p s SER 160 Cb 0.00 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1n4p s SER 160 CO 0.00 -2.84 -0.16 -0.36 0.98 0.00 0.00 173.24 170.86 1n4p s PHE 161 N -3.93 1.76 0.41 5.02 0.40 -1.26 -0.38 117.98 120.00 1n4p s PHE 161 Ca 0.76 -0.53 0.08 0.00 -0.60 0.00 0.00 56.93 56.64 1n4p s PHE 161 Cb -0.03 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 42.66 1n4p s PHE 161 CO 0.53 0.36 0.47 0.00 0.70 0.00 0.00 175.22 177.28 1n4p n ALA 163 N -1.68 1.30 -2.83 0.00 0.00 -1.26 -4.74 120.51 111.30 1n4p n ALA 163 Ca 0.05 -0.78 -0.14 0.00 0.00 0.00 0.00 53.44 52.57 1n4p n ALA 163 Cb 0.60 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 19.23 1n4p n ALA 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n4p s VAL 164 N -2.57 0.55 0.55 0.00 -7.23 -1.26 -0.26 120.40 110.18 1n4p s VAL 164 Ca -0.12 -0.92 0.22 0.00 -1.81 0.00 0.00 61.98 59.35 1n4p s VAL 164 Cb 0.07 -0.58 0.31 0.00 0.56 0.00 0.00 36.38 36.74 1n4p s VAL 164 CO 0.80 -0.27 2.18 1.55 -0.31 0.00 0.00 175.10 179.05 1n4p h PRO 165 N 4.80 0.00 0.00 4.82 0.13 -1.86 -0.82 132.00 139.07 1n4p h PRO 165 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1n4p h PRO 165 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n4p h PRO 165 CO 0.43 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 1n4p n GLU 166 N -4.25 0.19 0.00 0.86 4.71 -1.26 -4.95 120.64 115.93 1n4p n GLU 166 Ca -0.02 0.51 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1n4p n GLU 166 Cb 0.12 -1.92 0.00 0.00 -1.01 0.00 0.00 31.44 28.62 1n4p n GLU 166 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1n4p n GLY 167 N -0.45 2.78 0.25 0.62 0.00 -0.31 -5.17 105.19 102.92 1n4p n GLY 167 Ca 0.01 -1.68 -0.00 0.00 0.00 0.00 0.00 46.02 44.35 1n4p n GLY 167 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4p n SER 168 N 0.00 -0.10 -4.80 1.61 3.41 -1.26 -4.74 113.62 107.75 1n4p n SER 168 Ca 0.00 -1.04 -0.32 0.00 -0.26 0.00 0.00 58.87 57.25 1n4p n SER 168 Cb 0.00 0.15 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1n4p n SER 168 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1n4p s GLU 169 N -2.00 3.06 -0.04 4.33 1.03 -1.26 -4.87 118.70 118.95 1n4p s GLU 169 Ca 0.02 1.18 0.02 0.00 0.03 0.00 0.00 54.97 56.22 1n4p s GLU 169 Cb -0.00 -2.00 0.01 0.00 -0.80 0.00 0.00 34.13 31.34 1n4p s GLU 169 CO 0.00 -1.02 -0.10 0.54 -1.33 0.00 0.00 175.26 173.35 1n4p s ASN 170 N -3.03 1.39 0.21 0.83 4.22 -1.26 -4.14 114.94 113.17 1n4p s ASN 170 Ca 0.63 -0.22 -0.21 0.00 -2.14 0.00 0.00 52.86 50.92 1n4p s ASN 170 Cb -0.16 -0.46 0.07 0.00 1.28 0.00 0.00 41.25 41.99 1n4p s ASN 170 CO 0.43 0.06 1.01 1.51 -2.04 0.00 0.00 177.10 178.07 1n4p s ASP 171 N 0.34 0.03 0.40 3.54 1.47 -1.21 -4.95 116.67 116.28 1n4p s ASP 171 Ca -0.06 -0.77 0.18 0.00 1.18 0.00 0.00 52.55 53.08 1n4p s ASP 171 Cb -0.11 0.55 1.10 0.00 -0.34 0.00 0.00 42.92 44.11 1n4p s ASP 171 CO 0.01 -1.10 1.79 -0.03 0.68 0.00 0.00 175.17 176.52 1n4p h MET 172 N 2.00 0.39 -0.62 2.11 1.85 -1.75 -1.90 114.93 117.01 1n4p h MET 172 Ca -0.28 -0.02 0.11 0.00 -0.61 0.00 0.00 59.70 58.89 1n4p h MET 172 Cb 1.22 -0.09 -0.08 0.00 0.43 0.00 0.00 31.60 33.08 1n4p h MET 172 CO 0.38 0.26 0.17 0.00 -0.40 0.00 0.00 176.91 177.32 1n4p h ARG 173 N 0.40 0.30 0.00 0.39 3.08 -1.93 -1.06 114.38 115.56 1n4p h ARG 173 Ca 0.57 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.61 1n4p h ARG 173 Cb 1.45 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1n4p h ARG 173 CO -0.27 0.20 0.00 0.74 -1.07 0.00 0.00 179.97 179.57 1n4p h PHE 174 N 0.31 0.00 -0.41 3.04 0.05 -1.64 -2.38 116.94 115.92 1n4p h PHE 174 Ca 0.32 0.00 -0.15 0.00 3.82 0.00 0.00 57.97 61.96 1n4p h PHE 174 Cb 0.46 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.40 1n4p h PHE 174 CO -0.22 0.00 -0.35 0.28 -0.18 0.00 0.00 178.31 177.84 1n4p h VAL 175 N 0.00 1.27 -0.60 -0.55 2.07 -1.17 -0.92 116.25 116.35 1n4p h VAL 175 Ca 0.00 -1.52 -0.08 0.00 0.82 0.00 0.00 66.70 65.92 1n4p h VAL 175 Cb 0.77 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1n4p h VAL 175 CO 0.00 0.51 0.07 0.22 0.02 0.00 0.00 177.57 178.39 1n4p h TYR 176 N 0.78 1.09 -0.36 1.57 3.20 -1.07 -0.94 116.97 121.25 1n4p h TYR 176 Ca 0.07 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1n4p h TYR 176 Cb 0.94 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1n4p h TYR 176 CO 0.06 0.94 0.20 0.00 -1.64 0.00 0.00 178.16 177.72 1n4p h ALA 178 N 1.06 0.57 -0.48 0.00 0.00 -0.98 -0.89 119.26 118.54 1n4p h ALA 178 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1n4p h ALA 178 Cb 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1n4p h ALA 178 CO -0.02 -0.00 0.31 0.77 0.00 0.00 0.00 179.25 180.31 1n4p h SER 179 N 0.58 0.53 -0.75 0.00 0.02 -0.78 -1.26 113.55 111.90 1n4p h SER 179 Ca 0.17 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1n4p h SER 179 Cb -0.04 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1n4p h SER 179 CO -0.05 0.38 0.27 0.00 -1.14 0.00 0.00 176.83 176.28 1n4p h ILE 181 N 1.11 0.85 -0.99 0.00 2.04 -0.82 -0.17 117.51 119.51 1n4p h ILE 181 Ca 0.25 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.84 1n4p h ILE 181 Cb 0.26 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1n4p h ILE 181 CO -0.01 0.08 0.64 0.00 0.00 0.00 0.00 178.15 178.85 1n4p h TYR 183 N 1.12 0.54 -0.38 0.00 3.20 -0.95 0.41 116.97 120.91 1n4p h TYR 183 Ca 0.44 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 62.11 1n4p h TYR 183 Cb 0.24 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1n4p h TYR 183 CO -0.00 0.61 -0.22 0.52 -1.64 0.00 0.00 178.16 177.43 1n4p h MET 184 N 0.31 0.82 0.00 1.82 2.86 -0.41 -1.57 114.93 118.76 1n4p h MET 184 Ca 0.09 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1n4p h MET 184 Cb 0.38 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1n4p h MET 184 CO 0.01 1.01 0.00 1.28 1.06 0.00 0.00 176.91 180.27 1n4p n LEU 185 N -4.23 0.00 -4.16 1.22 4.77 0.24 -4.89 117.00 109.95 1n4p n LEU 185 Ca -0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.67 1n4p n LEU 185 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1n4p n LEU 185 CO 0.45 0.00 -0.34 -3.20 -1.33 0.00 0.00 177.39 172.97 1n4p n ASN 186 N -0.86 0.08 -3.48 -1.43 5.15 -0.06 -4.94 115.26 109.72 1n4p n ASN 186 Ca 0.16 -1.15 -0.02 0.00 -0.60 0.00 0.00 54.58 52.98 1n4p n ASN 186 Cb 0.08 -2.29 -0.05 0.00 -0.53 0.00 0.00 39.78 36.99 1n4p n ASN 186 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1n4p s ASN 187 N -4.28 -0.92 -0.11 1.20 3.84 -0.07 -5.02 114.94 109.58 1n4p s ASN 187 Ca 0.07 1.15 0.10 0.00 0.21 0.00 0.00 52.86 54.39 1n4p s ASN 187 Cb -0.04 1.98 0.47 0.00 -0.55 0.00 0.00 41.25 43.12 1n4p s ASN 187 CO 0.95 -0.24 1.27 0.79 -2.79 0.00 0.00 177.10 177.08 1n4p n TRP 188 N 5.43 1.11 0.65 0.43 7.02 -1.26 -3.99 117.44 126.83 1n4p n TRP 188 Ca -0.08 -0.41 0.09 0.00 -1.02 0.00 0.00 57.50 56.09 1n4p n TRP 188 Cb 0.50 -0.27 0.40 0.00 -2.42 0.00 0.00 31.31 29.51 1n4p n TRP 188 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1n4p n SER 189 N 0.47 0.00 0.00 -0.99 3.41 -1.26 -2.60 113.62 112.65 1n4p n SER 189 Ca 0.16 0.48 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 1n4p n SER 189 Cb 0.72 -0.49 0.31 0.00 -0.26 0.00 0.00 64.21 64.50 1n4p n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n4p n GLY 190 N 0.40 -1.00 3.37 5.00 0.00 -1.26 -4.82 105.19 106.88 1n4p n GLY 190 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1n4p n GLY 190 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1n4p s MET 191 N -3.00 1.15 -0.89 1.61 0.23 -1.07 -2.55 119.30 114.79 1n4p s MET 191 Ca 0.07 -0.81 -0.17 0.00 -1.03 0.00 0.00 55.69 53.75 1n4p s MET 191 Cb 0.10 0.47 0.16 0.00 -1.53 0.00 0.00 34.83 34.03 1n4p s MET 191 CO 0.27 -0.46 0.99 0.34 -2.03 0.00 0.00 175.02 174.13 1n4p s ASP 192 N -2.84 6.67 0.30 -1.18 3.68 -1.26 -4.91 116.67 117.13 1n4p s ASP 192 Ca 0.06 -2.27 0.04 0.00 2.13 0.00 0.00 52.55 52.52 1n4p s ASP 192 Cb 0.01 -2.33 0.68 0.00 -1.45 0.00 0.00 42.92 39.84 1n4p s ASP 192 CO -0.08 -0.89 1.79 -0.03 0.13 0.00 0.00 175.17 176.09 1n4p h MET 193 N 8.46 0.80 -0.43 4.34 1.85 -1.98 -1.61 114.93 126.36 1n4p h MET 193 Ca 0.13 -0.05 0.01 0.00 -0.61 0.00 0.00 59.70 59.19 1n4p h MET 193 Cb 1.03 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 32.85 1n4p h MET 193 CO 0.98 0.53 0.26 -0.22 -0.40 0.00 0.00 176.91 178.06 1n4p h LYS 194 N 0.83 0.52 -0.40 0.39 3.64 -1.99 0.05 116.57 119.60 1n4p h LYS 194 Ca 0.56 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.80 1n4p h LYS 194 Cb 0.78 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1n4p h LYS 194 CO -0.35 0.34 -0.19 0.87 -2.27 0.00 0.00 179.45 177.86 1n4p h LYS 195 N 0.53 0.77 -0.32 1.90 1.57 -1.70 -1.91 116.57 117.41 1n4p h LYS 195 Ca 0.17 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1n4p h LYS 195 Cb -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1n4p h LYS 195 CO -0.07 0.90 0.08 0.00 -0.57 0.00 0.00 179.45 179.80 1n4p h ALA 196 N 1.11 0.42 -1.00 3.86 0.00 -0.97 -1.52 119.26 121.16 1n4p h ALA 196 Ca 0.10 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1n4p h ALA 196 Cb 0.69 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1n4p h ALA 196 CO 0.05 0.08 0.66 0.82 0.00 0.00 0.00 179.25 180.86 1n4p h ILE 197 N 0.36 1.21 -0.64 0.00 2.04 -0.87 -0.86 117.51 118.74 1n4p h ILE 197 Ca 0.10 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1n4p h ILE 197 Cb 0.28 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 1n4p h ILE 197 CO 0.00 0.24 0.40 -1.28 0.00 0.00 0.00 178.15 177.51 1n4p h SER 198 N 1.30 0.75 -0.53 1.72 0.87 -1.03 -0.79 113.55 115.84 1n4p h SER 198 Ca 0.38 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1n4p h SER 198 Cb -0.06 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 1n4p h SER 198 CO -0.11 0.57 0.32 0.22 -0.53 0.00 0.00 176.83 177.30 1n4p h TYR 199 N 0.87 0.69 -0.73 2.24 3.20 -0.20 -1.12 116.97 121.91 1n4p h TYR 199 Ca 0.23 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1n4p h TYR 199 Cb -0.06 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 1n4p h TYR 199 CO -0.02 0.48 0.40 0.82 -1.64 0.00 0.00 178.16 178.20 1n4p h ILE 200 N 0.71 1.22 -0.23 1.81 2.04 -0.71 -2.48 117.51 119.87 1n4p h ILE 200 Ca 0.19 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1n4p h ILE 200 Cb -0.01 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1n4p h ILE 200 CO -0.04 0.25 0.06 0.03 0.00 0.00 0.00 178.15 178.45 1n4p h ARG 201 N 1.01 0.36 0.00 2.37 3.08 -0.82 -2.79 114.38 117.59 1n4p h ARG 201 Ca 0.26 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1n4p h ARG 201 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1n4p h ARG 201 CO -0.04 0.47 0.00 0.54 -1.07 0.00 0.00 179.97 179.87 1n4p n ARG 202 N -4.75 0.01 0.00 0.04 1.74 -0.45 -1.72 116.66 111.53 1n4p n ARG 202 Ca -0.04 0.36 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 1n4p n ARG 202 Cb 0.17 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.44 1n4p n ARG 202 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n4p n SER 203 N -1.49 0.98 -4.69 0.55 3.41 -0.96 -3.91 113.62 107.51 1n4p n SER 203 Ca 0.02 -0.81 -0.42 0.00 -0.26 0.00 0.00 58.87 57.40 1n4p n SER 203 Cb 0.08 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1n4p n SER 203 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1n4p s MET 204 N -2.59 4.26 0.78 4.33 -2.45 -0.70 -1.32 119.30 121.61 1n4p s MET 204 Ca 0.22 2.10 -0.09 0.00 -1.25 0.00 0.00 55.69 56.66 1n4p s MET 204 Cb 0.19 -3.51 0.09 0.00 1.25 0.00 0.00 34.83 32.84 1n4p s MET 204 CO 0.56 -0.60 1.11 0.45 1.05 0.00 0.00 175.02 177.59 1n4p s SER 205 N 1.88 4.47 0.54 1.11 0.15 -0.08 -4.88 113.70 116.89 1n4p s SER 205 Ca 0.67 0.52 0.32 0.00 0.70 0.00 0.00 55.95 58.15 1n4p s SER 205 Cb -0.35 -1.02 1.44 0.00 -1.71 0.00 0.00 66.02 64.39 1n4p s SER 205 CO 0.29 -1.87 2.03 0.10 1.20 0.00 0.00 173.24 174.99 1n4p h TYR 206 N -0.90 0.00 -0.20 3.44 -0.00 -1.94 -1.16 116.97 116.21 1n4p h TYR 206 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1n4p h TYR 206 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 1n4p h TYR 206 CO 0.12 0.07 0.00 -0.40 -0.00 0.00 0.00 178.16 177.95 1n4p n ASP 207 N -3.27 1.72 0.00 0.10 3.85 -1.26 -4.94 116.55 112.75 1n4p n ASP 207 Ca -0.01 -1.76 0.00 0.00 -0.71 0.00 0.00 54.79 52.32 1n4p n ASP 207 Cb 0.28 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 1n4p n ASP 207 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1n4p n ASN 208 N 0.37 0.00 -4.51 -1.12 3.02 -0.44 -4.80 115.26 107.78 1n4p n ASN 208 Ca 0.15 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.45 1n4p n ASN 208 Cb 0.33 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.63 1n4p n ASN 208 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1n4p s GLY 209 N -1.96 1.76 -0.08 7.41 0.00 -1.26 -4.18 107.32 109.01 1n4p s GLY 209 Ca 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 44.72 42.98 1n4p s GLY 209 CO 0.00 -1.08 -0.03 1.08 0.00 0.00 0.00 173.10 173.08 1n4p s LEU 210 N -5.33 3.41 0.00 0.66 1.02 -1.26 -0.90 118.68 116.27 1n4p s LEU 210 Ca 0.69 0.06 0.06 0.00 0.02 0.00 0.00 54.13 54.97 1n4p s LEU 210 Cb -0.04 -1.77 0.06 0.00 0.02 0.00 0.00 46.19 44.46 1n4p s LEU 210 CO 0.47 0.36 0.51 0.00 0.02 0.00 0.00 176.35 177.70 1n4p n ALA 211 N 2.28 0.95 0.23 4.21 0.00 -0.43 -0.85 120.51 126.89 1n4p n ALA 211 Ca -0.18 -2.20 0.07 0.00 0.00 0.00 0.00 53.44 51.13 1n4p n ALA 211 Cb 0.53 0.84 0.55 0.00 0.00 0.00 0.00 19.45 21.37 1n4p n ALA 211 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1n4p h GLN 212 N 0.00 0.00 -2.28 0.00 1.08 -1.88 -3.45 115.11 108.58 1n4p h GLN 212 Ca -0.33 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.06 1n4p h GLN 212 Cb 1.28 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.63 1n4p h GLN 212 CO 0.51 0.20 0.54 0.20 -0.95 0.00 0.00 178.83 179.33 1n4p s GLY 213 N -4.22 -0.18 0.20 3.46 0.00 -1.26 -2.23 107.32 103.09 1n4p s GLY 213 Ca -0.03 0.09 -0.33 0.00 0.00 0.00 0.00 44.72 44.45 1n4p s GLY 213 CO 0.66 0.47 1.36 0.00 0.00 0.00 0.00 173.10 175.59 1n4p n ALA 214 N -0.52 0.45 0.00 3.20 0.00 -1.25 -2.13 120.51 120.26 1n4p n ALA 214 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1n4p n ALA 214 Cb 0.61 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1n4p n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n4p n GLY 215 N 2.34 2.99 3.79 0.00 0.00 -1.26 -5.02 105.19 108.03 1n4p n GLY 215 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1n4p n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n4p s LEU 216 N 0.00 2.44 0.12 0.99 2.01 -0.90 -4.98 118.68 118.35 1n4p s LEU 216 Ca 0.00 1.25 -0.31 0.00 0.01 0.00 0.00 54.13 55.08 1n4p s LEU 216 Cb 0.00 -3.79 -0.08 0.00 0.01 0.00 0.00 46.19 42.33 1n4p s LEU 216 CO 0.00 -2.16 1.45 -0.70 1.01 0.00 0.00 176.35 175.94 1n4p s GLU 217 N -5.16 4.29 0.53 1.70 2.12 -1.26 -4.68 118.70 116.23 1n4p s GLU 217 Ca 0.62 2.15 -0.22 0.00 0.36 0.00 0.00 54.97 57.87 1n4p s GLU 217 Cb -0.15 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 1n4p s GLU 217 CO 0.54 -0.50 1.30 -1.54 -0.54 0.00 0.00 175.26 174.52 1n4p s SER 218 N 1.24 5.50 -0.01 -1.70 1.04 -1.26 -4.33 113.70 114.18 1n4p s SER 218 Ca 0.66 2.62 -0.05 0.00 0.48 0.00 0.00 55.95 59.66 1n4p s SER 218 Cb -0.38 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.11 1n4p s SER 218 CO 0.30 -1.40 0.11 -2.28 0.98 0.00 0.00 173.24 170.95 1n4p s HIS 219 N -1.38 0.03 0.31 5.02 2.46 -0.03 -4.82 115.29 116.87 1n4p s HIS 219 Ca 0.70 -0.08 0.02 0.00 0.47 0.00 0.00 55.06 56.17 1n4p s HIS 219 Cb -0.37 -0.05 0.58 0.00 -0.13 0.00 0.00 32.58 32.62 1n4p s HIS 219 CO 0.43 -0.21 1.91 0.78 -2.47 0.00 0.00 174.74 175.18 1n4p h GLY 220 N 4.77 1.29 0.73 1.59 0.00 -0.16 0.25 103.07 111.55 1n4p h GLY 220 Ca -0.29 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 1n4p h GLY 220 CO 0.41 0.26 0.00 -1.33 0.00 0.00 0.00 176.54 175.88 1n4p h GLY 221 N 0.96 0.05 2.00 4.60 0.00 -1.92 -2.09 103.07 106.68 1n4p h GLY 221 Ca 0.40 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.59 1n4p h GLY 221 CO -0.16 0.03 -0.46 1.48 0.00 0.00 0.00 176.54 177.44 1n4p h SER 222 N -0.23 0.00 -0.56 0.19 4.64 -1.76 -1.73 113.55 114.09 1n4p h SER 222 Ca 0.01 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1n4p h SER 222 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1n4p h SER 222 CO 0.00 0.46 -0.02 0.74 -0.87 0.00 0.00 176.83 177.14 1n4p h THR 223 N 0.00 1.27 -0.12 2.95 2.02 -0.88 0.13 112.91 118.27 1n4p h THR 223 Ca -0.00 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1n4p h THR 223 Cb 0.91 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1n4p h THR 223 CO 0.06 0.41 0.06 0.15 0.37 0.00 0.00 175.52 176.57 1n4p h PHE 224 N 0.89 0.16 -0.66 3.16 3.57 -1.06 -0.68 116.94 122.32 1n4p h PHE 224 Ca 0.16 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.72 1n4p h PHE 224 Cb 0.57 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 1n4p h PHE 224 CO 0.04 0.20 0.36 0.00 -2.23 0.00 0.00 178.31 176.68 1n4p h GLY 226 N 0.65 -0.40 1.00 0.00 0.00 -0.80 -1.56 103.07 101.97 1n4p h GLY 226 Ca 0.30 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 1n4p h GLY 226 CO -0.20 -0.14 0.41 -2.22 0.00 0.00 0.00 176.54 174.39 1n4p h ILE 227 N -0.75 1.20 -0.53 2.60 1.08 -1.00 -1.94 117.51 118.17 1n4p h ILE 227 Ca -0.04 -0.45 -0.08 0.00 -0.39 0.00 0.00 64.86 63.90 1n4p h ILE 227 Cb 0.50 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 1n4p h ILE 227 CO 0.06 0.21 -0.00 0.00 -0.69 0.00 0.00 178.15 177.73 1n4p h ALA 228 N 1.21 0.98 -0.30 1.87 0.00 -0.52 -1.32 119.26 121.19 1n4p h ALA 228 Ca 0.25 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1n4p h ALA 228 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1n4p h ALA 228 CO -0.05 0.62 0.19 0.77 0.00 0.00 0.00 179.25 180.79 1n4p h SER 229 N 0.84 0.33 -0.70 0.00 0.02 -0.88 0.32 113.55 113.48 1n4p h SER 229 Ca 0.16 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1n4p h SER 229 Cb 0.51 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1n4p h SER 229 CO 0.03 0.24 0.32 -0.07 -1.14 0.00 0.00 176.83 176.21 1n4p h LEU 230 N 0.40 0.94 -0.35 5.07 3.38 -1.05 -0.89 115.31 122.80 1n4p h LEU 230 Ca 0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1n4p h LEU 230 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1n4p h LEU 230 CO -0.03 0.81 0.02 0.00 0.09 0.00 0.00 178.44 179.33 1n4p h LEU 232 N 0.43 0.45 0.00 0.00 4.07 -0.48 0.18 115.31 119.96 1n4p h LEU 232 Ca 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1n4p h LEU 232 Cb 0.42 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1n4p h LEU 232 CO 0.01 0.31 -0.07 0.24 -1.08 0.00 0.00 178.44 177.85 1n4p h MET 233 N 0.52 0.00 -3.59 1.13 2.86 -0.60 -3.48 114.93 111.77 1n4p h MET 233 Ca 0.19 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.63 1n4p h MET 233 Cb 0.11 0.00 0.08 0.00 0.06 0.00 0.00 31.60 31.85 1n4p h MET 233 CO -0.05 0.00 -0.36 0.41 1.06 0.00 0.00 176.91 177.97 1n4p n GLY 234 N 1.30 0.14 0.54 8.32 0.00 0.63 -4.96 105.19 111.17 1n4p n GLY 234 Ca 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.90 1n4p n GLY 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n4p n LYS 235 N -2.77 0.29 0.35 1.61 5.02 -0.01 -4.90 118.16 117.75 1n4p n LYS 235 Ca -0.03 -1.48 -0.19 0.00 -2.02 0.00 0.00 58.31 54.59 1n4p n LYS 235 Cb 0.55 -0.66 -0.10 0.00 -0.02 0.00 0.00 35.03 34.80 1n4p n LYS 235 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1n4p h LEU 236 N 0.15 -1.32 -1.12 -0.35 6.46 -1.91 -0.78 115.31 116.44 1n4p h LEU 236 Ca -0.03 0.09 0.13 0.00 -0.12 0.00 0.00 57.88 57.95 1n4p h LEU 236 Cb 1.37 0.41 -0.08 0.00 -0.73 0.00 0.00 40.66 41.64 1n4p h LEU 236 CO 0.01 -0.70 0.61 -0.33 -0.62 0.00 0.00 178.44 177.41 1n4p h GLU 237 N -1.09 0.85 -0.17 1.25 4.39 -1.91 -1.96 114.58 115.95 1n4p h GLU 237 Ca -0.08 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.42 1n4p h GLU 237 Cb 0.91 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1n4p h GLU 237 CO 0.01 0.56 -0.51 1.49 -1.16 0.00 0.00 179.01 179.40 1n4p h GLU 238 N 0.88 0.48 0.21 2.33 4.81 -1.84 -3.34 114.58 118.11 1n4p h GLU 238 Ca 0.47 -0.29 -0.34 0.00 -0.13 0.00 0.00 59.36 59.07 1n4p h GLU 238 Cb 0.56 0.03 0.02 0.00 0.63 0.00 0.00 28.75 29.99 1n4p h GLU 238 CO -0.24 0.88 -1.62 0.28 -0.73 0.00 0.00 179.01 177.59 1n4p h VAL 239 N 0.38 1.11 -3.75 0.32 2.07 -0.59 -3.46 116.25 112.33 1n4p h VAL 239 Ca 0.01 -2.62 -0.68 0.00 0.82 0.00 0.00 66.70 64.23 1n4p h VAL 239 Cb 1.03 2.89 -0.23 0.00 -1.52 0.00 0.00 31.29 33.47 1n4p h VAL 239 CO 0.09 0.84 -0.74 -0.36 0.02 0.00 0.00 177.57 177.42 1n4p s PHE 240 N -2.59 2.81 0.94 1.57 2.99 -0.79 -5.08 117.98 117.83 1n4p s PHE 240 Ca -0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 56.93 56.47 1n4p s PHE 240 Cb 0.05 -1.71 0.16 0.00 0.00 0.00 0.00 43.02 41.51 1n4p s PHE 240 CO 0.90 0.13 1.12 -1.54 -0.00 0.00 0.00 175.22 175.83 1n4p s SER 241 N -0.47 3.18 0.24 1.36 1.04 -1.26 -4.63 113.70 113.16 1n4p s SER 241 Ca 0.06 1.06 -0.06 0.00 0.48 0.00 0.00 55.95 57.49 1n4p s SER 241 Cb -0.12 -1.67 0.24 0.00 0.10 0.00 0.00 66.02 64.57 1n4p s SER 241 CO 0.02 -2.77 1.85 -0.08 0.98 0.00 0.00 173.24 173.24 1n4p h GLU 242 N -1.65 1.20 -0.60 4.02 4.81 -1.99 0.22 114.58 120.60 1n4p h GLU 242 Ca -0.52 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 58.51 1n4p h GLU 242 Cb 1.33 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1n4p h GLU 242 CO 0.60 0.90 0.21 -0.22 -0.73 0.00 0.00 179.01 179.78 1n4p h LYS 243 N 1.20 0.91 -0.35 1.92 3.64 -1.99 -0.89 116.57 121.00 1n4p h LYS 243 Ca 0.30 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1n4p h LYS 243 Cb 0.07 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1n4p h LYS 243 CO -0.04 0.80 0.10 0.93 -2.27 0.00 0.00 179.45 178.96 1n4p h GLU 244 N 0.84 0.55 -0.21 1.90 5.08 -1.76 -2.08 114.58 118.90 1n4p h GLU 244 Ca 0.20 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1n4p h GLU 244 Cb 0.24 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1n4p h GLU 244 CO -0.01 0.59 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.50 1n4p h LEU 245 N 0.42 0.28 -0.62 1.33 3.38 -0.75 -0.39 115.31 118.96 1n4p h LEU 245 Ca 0.11 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1n4p h LEU 245 Cb 0.27 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1n4p h LEU 245 CO -0.00 0.35 -0.26 0.78 0.09 0.00 0.00 178.44 179.40 1n4p h ASN 246 N 0.30 0.84 -0.47 -0.43 -0.26 -0.83 0.17 115.58 114.91 1n4p h ASN 246 Ca 0.07 -0.32 -0.13 0.00 -0.56 0.00 0.00 56.30 55.36 1n4p h ASN 246 Cb 0.23 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 1n4p h ASN 246 CO 0.01 1.05 -0.21 0.03 -1.06 0.00 0.00 177.43 177.25 1n4p h ARG 247 N 0.70 0.98 -0.30 0.81 3.08 -0.63 -1.18 114.38 117.84 1n4p h ARG 247 Ca 0.09 -0.41 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1n4p h ARG 247 Cb 0.79 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1n4p h ARG 247 CO 0.07 1.09 0.01 0.82 -1.07 0.00 0.00 179.97 180.88 1n4p h ILE 248 N 0.85 1.25 -0.61 2.04 2.04 -0.94 -1.74 117.51 120.39 1n4p h ILE 248 Ca 0.11 -0.91 0.07 0.00 1.00 0.00 0.00 64.86 65.14 1n4p h ILE 248 Cb 0.78 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 1n4p h ILE 248 CO 0.07 0.29 0.30 0.11 0.00 0.00 0.00 178.15 178.91 1n4p h LYS 249 N 0.32 0.52 -0.73 2.37 1.57 -0.81 -0.41 116.57 119.41 1n4p h LYS 249 Ca 0.09 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1n4p h LYS 249 Cb 0.41 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1n4p h LYS 249 CO 0.01 0.35 0.48 -0.09 -0.57 0.00 0.00 179.45 179.63 1n4p h ARG 250 N 0.54 0.93 -0.38 3.15 9.65 -1.00 -0.21 114.38 127.06 1n4p h ARG 250 Ca 0.29 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 59.08 1n4p h ARG 250 Cb 0.25 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1n4p h ARG 250 CO -0.22 0.62 0.10 2.35 2.80 0.00 0.00 179.97 185.61 1n4p h TRP 251 N 0.96 0.64 -0.13 2.20 7.01 -0.41 -2.63 115.95 123.59 1n4p h TRP 251 Ca 0.28 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1n4p h TRP 251 Cb -0.07 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 26.81 1n4p h TRP 251 CO -0.03 0.62 0.01 0.00 -2.79 0.00 0.00 178.44 176.25 1n4p h ILE 253 N -0.03 0.00 0.00 0.00 2.10 -1.06 -1.24 117.51 117.28 1n4p h ILE 253 Ca 0.04 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1n4p h ILE 253 Cb 0.32 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 1n4p h ILE 253 CO 0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 1n4p n MET 254 N -2.76 0.12 0.14 2.19 2.81 -0.99 -3.15 117.12 115.48 1n4p n MET 254 Ca 0.00 0.07 0.13 0.00 -1.81 0.00 0.00 57.70 56.09 1n4p n MET 254 Cb 0.23 -1.50 0.42 0.00 -0.71 0.00 0.00 33.22 31.66 1n4p n MET 254 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1n4p h ARG 255 N 0.00 0.00 -6.33 0.03 2.47 -1.27 -3.44 114.38 105.84 1n4p h ARG 255 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1n4p h ARG 255 Cb 0.36 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 1n4p h ARG 255 CO 0.00 0.00 0.35 -1.14 0.56 0.00 0.00 179.97 179.74 1n4p s GLN 256 N -3.21 4.52 -0.07 0.04 0.74 -1.19 -2.35 119.66 118.14 1n4p s GLN 256 Ca 0.08 1.33 0.01 0.00 0.05 0.00 0.00 55.36 56.83 1n4p s GLN 256 Cb 0.10 -3.47 -0.05 0.00 1.10 0.00 0.00 33.01 30.69 1n4p s GLN 256 CO 0.55 -0.07 -0.06 1.04 -0.55 0.00 0.00 175.29 176.19 1n4p n GLN 257 N 4.04 0.31 0.12 1.67 1.13 -1.26 -4.97 117.38 118.41 1n4p n GLN 257 Ca 0.05 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1n4p n GLN 257 Cb 0.51 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 29.71 1n4p n GLN 257 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1n4p n ASN 258 N -2.69 -2.11 -0.52 1.08 0.23 -1.26 -5.07 115.26 104.92 1n4p n ASN 258 Ca -0.13 0.60 0.00 0.00 -0.53 0.00 0.00 54.58 54.52 1n4p n ASN 258 Cb 0.64 2.17 0.00 0.00 -2.08 0.00 0.00 39.78 40.51 1n4p n ASN 258 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n4p n GLY 259 N -1.35 1.65 3.35 4.83 0.00 -1.26 -2.34 105.19 110.07 1n4p n GLY 259 Ca 0.00 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 1n4p n GLY 259 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n4p s TYR 260 N 1.68 2.24 0.32 1.61 1.51 -1.26 -4.46 117.35 118.99 1n4p s TYR 260 Ca 0.00 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1n4p s TYR 260 Cb 0.00 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 1n4p s TYR 260 CO 0.00 0.20 0.22 -3.38 -1.11 0.00 0.00 175.55 171.48 1n4p s HIS 261 N -0.91 2.85 -0.35 2.71 -3.43 -0.99 -1.02 115.29 114.14 1n4p s HIS 261 Ca 0.12 -0.30 0.22 0.00 -0.80 0.00 0.00 55.06 54.29 1n4p s HIS 261 Cb -0.10 -1.68 0.23 0.00 -1.43 0.00 0.00 32.58 29.60 1n4p s HIS 261 CO 0.03 0.29 1.46 0.78 -2.00 0.00 0.00 174.74 175.30 1n4p h GLY 262 N 1.40 0.00 -3.47 -1.38 0.00 -1.87 -3.45 103.07 94.31 1n4p h GLY 262 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1n4p h GLY 262 CO 0.60 0.00 0.23 1.09 0.00 0.00 0.00 176.54 178.46 1n4p s ARG 263 N -3.20 1.14 0.23 4.80 1.70 -1.26 0.58 118.95 122.94 1n4p s ARG 263 Ca 0.05 -0.15 -0.29 0.00 -0.47 0.00 0.00 55.73 54.87 1n4p s ARG 263 Cb 0.06 0.53 -0.16 0.00 -0.57 0.00 0.00 34.95 34.82 1n4p s ARG 263 CO 0.71 -0.44 0.85 -2.30 -1.08 0.00 0.00 175.30 173.03 1n4p n PRO 264 N 0.18 0.77 -2.06 3.89 -0.02 -1.26 -2.38 135.00 134.12 1n4p n PRO 264 Ca -0.17 0.27 -0.20 0.00 -2.02 0.00 0.00 63.50 61.38 1n4p n PRO 264 Cb 0.61 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.53 1n4p n PRO 264 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1n4p n ASN 265 N 1.62 -5.59 -4.40 2.55 3.02 -1.26 -5.01 115.26 106.19 1n4p n ASN 265 Ca 0.14 0.19 -0.28 0.00 -0.03 0.00 0.00 54.58 54.60 1n4p n ASN 265 Cb 0.28 -4.71 -0.12 0.00 -0.61 0.00 0.00 39.78 34.61 1n4p n ASN 265 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n4p s LYS 266 N -4.47 1.45 0.58 3.52 -0.14 -1.00 -5.12 119.74 114.55 1n4p s LYS 266 Ca 0.00 -1.43 -0.19 0.00 -1.36 0.00 0.00 55.97 52.99 1n4p s LYS 266 Cb 0.00 -1.87 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 1n4p s LYS 266 CO 0.00 0.42 1.20 -1.25 -0.76 0.00 0.00 175.35 174.97 1n4p s PRO 267 N -2.34 3.06 0.67 -1.68 0.04 -1.26 -4.78 135.00 128.71 1n4p s PRO 267 Ca 0.17 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 1n4p s PRO 267 Cb -0.09 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1n4p s PRO 267 CO 0.08 -1.13 1.11 0.14 0.04 0.00 0.00 177.00 177.24 1n4p s VAL 268 N -1.60 3.23 -0.10 -0.36 -7.23 -1.26 -4.50 120.40 108.59 1n4p s VAL 268 Ca 0.76 0.56 -0.05 0.00 -1.81 0.00 0.00 61.98 61.45 1n4p s VAL 268 Cb -0.30 -3.09 0.05 0.00 0.56 0.00 0.00 36.38 33.60 1n4p s VAL 268 CO 0.33 -0.36 0.23 -0.62 -0.31 0.00 0.00 175.10 174.37 1n4p s ASP 269 N -2.61 -0.18 0.33 4.85 -1.08 -0.19 -4.83 116.67 112.96 1n4p s ASP 269 Ca 0.67 0.49 0.07 0.00 -0.52 0.00 0.00 52.55 53.26 1n4p s ASP 269 Cb -0.20 0.39 0.93 0.00 -1.46 0.00 0.00 42.92 42.57 1n4p s ASP 269 CO 0.42 -0.17 1.58 0.74 0.52 0.00 0.00 175.17 178.26 1n4p h THR 270 N 5.94 0.02 -0.12 1.71 2.02 -1.63 -0.39 112.91 120.46 1n4p h THR 270 Ca -0.39 -0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.82 1n4p h THR 270 Cb 1.15 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1n4p h THR 270 CO 0.36 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.37 1n4p h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.30 -1.04 116.97 114.69 1n4p h TYR 272 Ca 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1n4p h TYR 272 Cb 0.28 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 1n4p h TYR 272 CO 0.00 0.00 -0.08 0.77 -1.05 0.00 0.00 178.16 177.80 1n4p h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.22 0.34 113.55 116.56 1n4p h SER 273 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1n4p h SER 273 Cb 0.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1n4p h SER 273 CO 0.00 0.08 -1.47 0.33 -1.14 0.00 0.00 176.83 174.63 1n4p n PHE 274 N -3.83 0.43 -0.06 3.45 7.35 -0.46 -3.11 117.46 121.23 1n4p n PHE 274 Ca -0.02 0.19 -0.11 0.00 -0.76 0.00 0.00 57.45 56.74 1n4p n PHE 274 Cb 0.17 -0.86 -0.06 0.00 0.35 0.00 0.00 39.48 39.09 1n4p n PHE 274 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1n4p h TRP 275 N -1.00 -1.25 0.10 -5.13 -0.00 -1.28 0.85 115.95 108.25 1n4p h TRP 275 Ca -0.31 0.06 -0.22 0.00 -0.00 0.00 0.00 58.89 58.41 1n4p h TRP 275 Cb 1.18 0.58 0.02 0.00 -0.00 0.00 0.00 29.16 30.94 1n4p h TRP 275 CO -0.15 -0.46 -0.94 0.28 -0.00 0.00 0.00 178.44 177.17 1n4p h VAL 276 N -0.42 1.40 -0.61 1.49 2.07 -1.16 -3.00 116.25 116.01 1n4p h VAL 276 Ca 0.10 -2.39 0.05 0.00 0.82 0.00 0.00 66.70 65.28 1n4p h VAL 276 Cb 0.61 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 33.19 1n4p h VAL 276 CO -0.48 0.70 0.34 1.23 0.02 0.00 0.00 177.57 179.38 1n4p h GLY 277 N -0.05 0.88 1.66 2.17 0.00 -1.35 -0.19 103.07 106.19 1n4p h GLY 277 Ca -0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1n4p h GLY 277 CO 0.18 0.17 -0.13 0.00 0.00 0.00 0.00 176.54 176.76 1n4p h ALA 278 N 1.31 1.33 -0.42 3.60 0.00 0.65 -0.47 119.26 125.26 1n4p h ALA 278 Ca 0.27 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1n4p h ALA 278 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1n4p h ALA 278 CO -0.15 0.45 -0.08 1.15 0.00 0.00 0.00 179.25 180.62 1n4p h THR 279 N 0.39 1.27 -0.48 0.00 2.02 -1.12 -0.56 112.91 114.43 1n4p h THR 279 Ca 0.07 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.05 1n4p h THR 279 Cb 0.46 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1n4p h THR 279 CO 0.03 0.39 0.13 -0.07 0.37 0.00 0.00 175.52 176.37 1n4p h LEU 280 N 0.61 0.67 -0.37 2.58 3.38 -0.60 -0.52 115.31 121.07 1n4p h LEU 280 Ca 0.11 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1n4p h LEU 280 Cb 0.60 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1n4p h LEU 280 CO 0.04 0.66 0.06 0.50 0.09 0.00 0.00 178.44 179.79 1n4p h LYS 281 N 0.71 0.60 -0.05 1.13 1.63 -0.68 -0.74 116.57 119.17 1n4p h LYS 281 Ca 0.16 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1n4p h LYS 281 Cb 0.25 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1n4p h LYS 281 CO -0.00 0.67 -0.16 -0.07 -3.45 0.00 0.00 179.45 176.43 1n4p h LEU 282 N 0.45 0.07 -1.25 5.20 3.38 -0.43 -1.03 115.31 121.70 1n4p h LEU 282 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1n4p h LEU 282 Cb 0.35 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1n4p h LEU 282 CO 0.01 0.24 0.00 0.18 0.09 0.00 0.00 178.44 178.96 1n4p n LEU 283 N -4.31 1.83 -2.93 1.67 4.77 -0.27 -4.94 117.00 112.82 1n4p n LEU 283 Ca -0.02 -0.87 -0.22 0.00 -0.03 0.00 0.00 56.01 54.87 1n4p n LEU 283 Cb 0.25 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1n4p n LEU 283 CO 0.37 0.44 -0.06 0.29 -1.33 0.00 0.00 177.39 177.09 1n4p n LYS 284 N 0.47 -4.00 -0.09 3.23 5.02 -0.39 -4.87 118.16 117.52 1n4p n LYS 284 Ca 0.13 0.85 0.01 0.00 -2.02 0.00 0.00 58.31 57.28 1n4p n LYS 284 Cb 0.31 -5.65 0.01 0.00 -0.02 0.00 0.00 35.03 29.68 1n4p n LYS 284 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1n4p n ILE 285 N -4.29 0.43 0.24 -0.18 -5.35 -0.40 -4.74 119.36 105.07 1n4p n ILE 285 Ca -0.13 -0.46 0.08 0.00 -0.27 0.00 0.00 62.75 61.98 1n4p n ILE 285 Cb 0.62 0.67 0.60 0.00 -1.74 0.00 0.00 39.64 39.79 1n4p n ILE 285 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1n4p h PHE 286 N 0.00 0.00 0.00 4.28 3.57 -1.80 -1.44 116.94 121.55 1n4p h PHE 286 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1n4p h PHE 286 Cb 0.94 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1n4p h PHE 286 CO 0.02 0.15 -0.00 -0.56 -2.23 0.00 0.00 178.31 175.68 1n4p h GLN 287 N 0.00 0.00 -0.27 1.11 3.07 -1.89 -1.54 115.11 115.60 1n4p h GLN 287 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1n4p h GLN 287 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1n4p h GLN 287 CO 0.02 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.60 1n4p n TYR 288 N -3.20 0.35 -2.21 0.06 0.53 -0.54 -4.93 117.16 107.22 1n4p n TYR 288 Ca -0.03 -0.17 -0.26 0.00 -1.02 0.00 0.00 57.90 56.42 1n4p n TYR 288 Cb 0.07 0.00 0.09 0.00 -1.03 0.00 0.00 39.34 38.48 1n4p n TYR 288 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1n4p s THR 289 N -1.65 2.21 -0.46 -0.72 -4.23 -0.58 -5.02 115.64 105.18 1n4p s THR 289 Ca 0.35 -0.27 -0.21 0.00 -1.18 0.00 0.00 61.69 60.39 1n4p s THR 289 Cb 0.20 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 71.13 1n4p s THR 289 CO 0.29 0.00 0.67 0.21 -0.54 0.00 0.00 174.62 175.25 1n4p s ASN 290 N -4.60 6.30 0.02 3.99 3.84 -1.26 -4.95 114.94 118.28 1n4p s ASN 290 Ca 0.63 -0.47 -0.22 0.00 0.21 0.00 0.00 52.86 53.00 1n4p s ASN 290 Cb -0.09 -2.32 -0.16 0.00 -0.55 0.00 0.00 41.25 38.12 1n4p s ASN 290 CO 0.46 -0.85 1.34 -0.26 -2.79 0.00 0.00 177.10 175.01 1n4p h PHE 291 N 8.95 0.25 -0.51 0.43 0.05 -1.95 -3.19 116.94 120.96 1n4p h PHE 291 Ca -0.26 -0.07 0.02 0.00 3.82 0.00 0.00 57.97 61.49 1n4p h PHE 291 Cb 1.09 -0.05 -0.03 0.00 2.00 0.00 0.00 35.95 38.96 1n4p h PHE 291 CO 0.75 0.60 0.31 0.93 -0.18 0.00 0.00 178.31 180.72 1n4p h GLU 292 N -0.18 0.60 -0.34 1.51 4.39 -1.97 0.12 114.58 118.71 1n4p h GLU 292 Ca 0.02 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 1n4p h GLU 292 Cb 0.55 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1n4p h GLU 292 CO 0.02 0.40 -0.09 0.87 -1.16 0.00 0.00 179.01 179.04 1n4p h LYS 293 N 0.62 0.57 -0.01 2.33 1.57 -1.85 0.22 116.57 120.01 1n4p h LYS 293 Ca 0.20 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1n4p h LYS 293 Cb 0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1n4p h LYS 293 CO -0.09 0.66 -0.01 -0.97 -0.57 0.00 0.00 179.45 178.48 1n4p h ASN 294 N 0.53 0.03 -0.55 0.86 -1.24 -1.04 -1.60 115.58 112.57 1n4p h ASN 294 Ca 0.10 -0.41 0.00 0.00 0.71 0.00 0.00 56.30 56.70 1n4p h ASN 294 Cb 0.48 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.50 1n4p h ASN 294 CO 0.03 0.43 0.35 -0.09 -1.29 0.00 0.00 177.43 176.86 1n4p h ARG 295 N -0.38 0.73 -0.86 6.67 2.43 -0.54 -1.38 114.38 121.06 1n4p h ARG 295 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1n4p h ARG 295 Cb 0.42 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1n4p h ARG 295 CO 0.00 0.50 0.54 -0.91 -1.51 0.00 0.00 179.97 178.60 1n4p h ASN 296 N 0.74 1.01 0.10 -3.80 2.35 -0.54 -1.47 115.58 113.97 1n4p h ASN 296 Ca 0.20 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1n4p h ASN 296 Cb -0.06 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.06 1n4p h ASN 296 CO -0.04 0.76 -0.05 0.22 -1.65 0.00 0.00 177.43 176.67 1n4p h TYR 297 N 1.17 -0.12 -0.40 1.19 3.20 -0.85 -1.77 116.97 119.39 1n4p h TYR 297 Ca 0.31 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.26 1n4p h TYR 297 Cb -0.09 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.15 1n4p h TYR 297 CO -0.01 0.09 -0.06 0.82 -1.64 0.00 0.00 178.16 177.37 1n4p h ILE 298 N -0.33 0.64 0.00 1.81 2.04 -1.05 -0.31 117.51 120.32 1n4p h ILE 298 Ca -0.01 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1n4p h ILE 298 Cb 0.27 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1n4p h ILE 298 CO 0.02 0.01 -0.13 -0.07 0.00 0.00 0.00 178.15 177.98 1n4p h LEU 299 N 0.04 0.00 -0.61 1.44 3.38 -1.20 -1.53 115.31 116.83 1n4p h LEU 299 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1n4p h LEU 299 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1n4p h LEU 299 CO -0.38 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 176.74 1n4p n SER 300 N -4.19 0.53 -1.22 -0.43 3.41 -0.14 -1.62 113.62 109.96 1n4p n SER 300 Ca -0.02 0.64 0.10 0.00 -0.26 0.00 0.00 58.87 59.33 1n4p n SER 300 Cb 0.20 -0.75 0.29 0.00 -0.26 0.00 0.00 64.21 63.70 1n4p n SER 300 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n4p n THR 301 N -2.10 1.06 -2.65 6.66 -2.24 -0.58 -4.35 114.28 110.09 1n4p n THR 301 Ca 0.02 -1.02 -0.41 0.00 -2.27 0.00 0.00 64.05 60.37 1n4p n THR 301 Cb 0.20 0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 1n4p n THR 301 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1n4p s GLN 302 N -1.07 4.65 -0.57 -0.78 0.74 -0.64 -0.91 119.66 121.08 1n4p s GLN 302 Ca 0.44 1.55 -0.20 0.00 0.05 0.00 0.00 55.36 57.20 1n4p s GLN 302 Cb 0.23 -3.35 0.08 0.00 1.10 0.00 0.00 33.01 31.08 1n4p s GLN 302 CO 0.29 0.14 0.72 0.34 -0.55 0.00 0.00 175.29 176.23 1n4p s ASP 303 N 0.04 6.20 0.27 6.67 -1.08 -0.54 -4.91 116.67 123.32 1n4p s ASP 303 Ca 0.48 -1.17 0.23 0.00 -0.52 0.00 0.00 52.55 51.57 1n4p s ASP 303 Cb -0.25 -2.32 1.01 0.00 -1.46 0.00 0.00 42.92 39.90 1n4p s ASP 303 CO 0.31 -1.09 1.69 0.54 0.52 0.00 0.00 175.17 177.14 1n4p n ARG 304 N 6.50 0.18 -0.10 4.34 1.74 -1.26 -0.24 116.66 127.81 1n4p n ARG 304 Ca -0.07 0.48 -0.16 0.00 -0.77 0.00 0.00 57.85 57.32 1n4p n ARG 304 Cb 0.44 -1.88 -0.07 0.00 -1.02 0.00 0.00 32.46 29.93 1n4p n ARG 304 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1n4p n LEU 305 N -2.22 1.88 0.01 0.55 -0.00 -1.26 -4.65 117.00 111.30 1n4p n LEU 305 Ca 0.01 0.46 0.11 0.00 -0.00 0.00 0.00 56.01 56.59 1n4p n LEU 305 Cb 0.18 -0.87 -0.08 0.00 -0.00 0.00 0.00 43.42 42.65 1n4p n LEU 305 CO 0.17 0.00 -0.20 1.33 -0.00 0.00 0.00 177.39 178.69 1n4p n VAL 306 N -4.46 0.06 -0.09 1.96 0.24 -1.24 -5.10 118.33 109.70 1n4p n VAL 306 Ca -0.26 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1n4p n VAL 306 Cb 0.56 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 1n4p n VAL 306 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n4p n GLY 307 N 1.39 -3.53 0.40 7.63 0.00 0.66 -4.43 105.19 107.32 1n4p n GLY 307 Ca 0.01 -1.91 0.05 0.00 0.00 0.00 0.00 46.02 44.18 1n4p n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4p n GLY 308 N -0.34 -1.80 3.35 -0.02 0.00 -1.26 -4.30 105.19 100.81 1n4p n GLY 308 Ca 0.00 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 1n4p n GLY 308 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n4p s PHE 309 N -1.86 1.77 0.46 1.61 0.40 -1.26 -1.46 117.98 117.63 1n4p s PHE 309 Ca 0.00 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 1n4p s PHE 309 Cb 0.00 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 1n4p s PHE 309 CO 0.00 0.37 0.11 0.00 0.70 0.00 0.00 175.22 176.39 1n4p s ALA 310 N -2.61 3.73 0.15 5.36 0.00 -0.09 -2.52 121.76 125.78 1n4p s ALA 310 Ca 0.20 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.53 1n4p s ALA 310 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1n4p s ALA 310 CO 0.07 -0.14 1.43 1.57 0.00 0.00 0.00 175.76 178.69 1n4p h LYS 311 N 1.42 0.77 -5.36 0.00 2.10 -1.88 -3.40 116.57 110.21 1n4p h LYS 311 Ca -0.43 -0.49 -0.41 0.00 -2.00 0.00 0.00 60.65 57.32 1n4p h LYS 311 Cb 1.27 0.06 -0.14 0.00 -0.90 0.00 0.00 32.23 32.52 1n4p h LYS 311 CO 0.73 1.12 -0.71 -1.58 -2.00 0.00 0.00 179.45 177.01 1n4p s TRP 312 N -4.06 1.59 0.48 0.07 0.51 -1.26 -2.03 118.94 114.24 1n4p s TRP 312 Ca -0.09 -0.68 -0.23 0.00 -2.12 0.00 0.00 56.10 52.97 1n4p s TRP 312 Cb 0.10 -0.80 -0.07 0.00 -0.81 0.00 0.00 33.47 31.90 1n4p s TRP 312 CO 0.88 0.22 1.26 -1.25 -0.51 0.00 0.00 176.95 177.55 1n4p s PRO 313 N -3.71 3.59 -1.43 4.98 0.04 -1.26 -2.62 135.00 134.60 1n4p s PRO 313 Ca 0.22 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1n4p s PRO 313 Cb 0.01 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1n4p s PRO 313 CO 0.06 -0.75 0.00 -0.25 0.04 0.00 0.00 177.00 176.09 1n4p n ASP 314 N -0.54 -4.87 -4.58 6.66 10.43 -1.26 -5.00 116.55 117.39 1n4p n ASP 314 Ca 0.08 0.02 -0.24 0.00 2.57 0.00 0.00 54.79 57.21 1n4p n ASP 314 Cb 0.46 -3.97 -0.09 0.00 1.84 0.00 0.00 41.12 39.36 1n4p n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1n4p s SER 315 N -2.31 4.02 0.18 -2.24 0.15 -1.08 -5.10 113.70 107.32 1n4p s SER 315 Ca 0.00 -0.96 -0.30 0.00 0.70 0.00 0.00 55.95 55.39 1n4p s SER 315 Cb 0.00 -0.50 -0.08 0.00 -1.71 0.00 0.00 66.02 63.73 1n4p s SER 315 CO 0.00 -0.11 1.09 -1.00 1.20 0.00 0.00 173.24 174.42 1n4p s HIS 316 N -2.49 3.62 0.65 3.44 3.76 -1.26 -4.71 115.29 118.30 1n4p s HIS 316 Ca 0.32 1.63 -0.12 0.00 -0.15 0.00 0.00 55.06 56.74 1n4p s HIS 316 Cb -0.02 -3.25 -0.01 0.00 1.11 0.00 0.00 32.58 30.40 1n4p s HIS 316 CO 0.18 -0.53 1.05 -1.25 -0.85 0.00 0.00 174.74 173.34 1n4p s PRO 317 N -0.44 3.15 0.13 8.40 0.04 -1.26 -4.58 135.00 140.44 1n4p s PRO 317 Ca 0.49 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 1n4p s PRO 317 Cb -0.29 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.24 1n4p s PRO 317 CO 0.35 -0.93 0.29 0.16 0.04 0.00 0.00 177.00 176.91 1n4p s ASP 318 N -3.52 -0.02 0.26 6.66 1.47 -1.05 -4.95 116.67 115.52 1n4p s ASP 318 Ca 0.59 -0.60 -0.02 0.00 1.18 0.00 0.00 52.55 53.70 1n4p s ASP 318 Cb -0.14 0.42 0.46 0.00 -0.34 0.00 0.00 42.92 43.32 1n4p s ASP 318 CO 0.49 -0.83 1.82 0.00 0.68 0.00 0.00 175.17 177.33 1n4p h ALA 319 N 2.55 1.33 -0.01 2.11 0.00 -1.97 -1.05 119.26 122.23 1n4p h ALA 319 Ca -0.33 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1n4p h ALA 319 Cb 1.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1n4p h ALA 319 CO 0.50 0.17 0.00 1.25 0.00 0.00 0.00 179.25 181.18 1n4p h LEU 320 N 0.90 0.01 -0.94 0.00 6.46 -1.94 -1.38 115.31 118.42 1n4p h LEU 320 Ca 0.44 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.94 1n4p h LEU 320 Cb 0.40 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1n4p h LEU 320 CO -0.25 0.23 -0.20 0.45 -0.62 0.00 0.00 178.44 178.04 1n4p h HIS 321 N -0.20 0.00 -0.13 1.25 3.86 -1.75 -1.35 115.15 116.83 1n4p h HIS 321 Ca 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1n4p h HIS 321 Cb 0.22 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.69 1n4p h HIS 321 CO -0.00 0.20 -0.23 0.00 0.86 0.00 0.00 177.93 178.76 1n4p h ALA 322 N 1.80 0.21 -0.13 2.45 0.00 -1.07 -0.04 119.26 122.47 1n4p h ALA 322 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1n4p h ALA 322 Cb 0.81 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1n4p h ALA 322 CO 0.03 0.17 0.03 -0.92 0.00 0.00 0.00 179.25 178.56 1n4p h TYR 323 N -0.01 0.21 0.00 0.00 3.20 -1.07 -2.16 116.97 117.15 1n4p h TYR 323 Ca 0.01 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1n4p h TYR 323 Cb 0.81 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1n4p h TYR 323 CO 0.10 0.36 -0.41 0.74 -1.64 0.00 0.00 178.16 177.30 1n4p h PHE 324 N 0.01 0.00 -0.46 -3.82 0.05 -1.30 -0.10 116.94 111.32 1n4p h PHE 324 Ca 0.04 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 61.69 1n4p h PHE 324 Cb 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.19 1n4p h PHE 324 CO 0.01 0.41 -0.25 0.78 -0.18 0.00 0.00 178.31 179.08 1n4p h GLY 325 N 2.04 1.06 0.97 -1.45 0.00 -0.92 0.14 103.07 104.91 1n4p h GLY 325 Ca -0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 47.33 46.27 1n4p h GLY 325 CO 0.05 0.88 -0.07 -2.22 0.00 0.00 0.00 176.54 175.19 1n4p h ILE 326 N 0.83 1.27 -0.10 2.60 2.04 -1.06 -0.76 117.51 122.33 1n4p h ILE 326 Ca 0.10 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 1n4p h ILE 326 Cb 0.83 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1n4p h ILE 326 CO 0.07 0.38 -0.22 0.00 0.00 0.00 0.00 178.15 178.38 1n4p h GLY 328 N 0.85 0.79 1.10 0.00 0.00 -0.28 -2.17 103.07 103.36 1n4p h GLY 328 Ca 0.03 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 1n4p h GLY 328 CO 0.03 0.54 0.20 1.41 0.00 0.00 0.00 176.54 178.72 1n4p h LEU 329 N 0.56 1.05 -1.31 3.11 4.07 -0.65 -2.83 115.31 119.31 1n4p h LEU 329 Ca 0.12 -0.20 0.05 0.00 0.08 0.00 0.00 57.88 57.92 1n4p h LEU 329 Cb 0.49 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.91 1n4p h LEU 329 CO 0.02 0.99 0.50 -1.28 -1.08 0.00 0.00 178.44 177.59 1n4p h SER 330 N 1.07 0.76 -0.34 -0.43 0.87 -0.67 -1.14 113.55 113.66 1n4p h SER 330 Ca 0.23 -0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.88 1n4p h SER 330 Cb 0.33 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1n4p h SER 330 CO -0.00 0.50 0.28 -0.07 -0.53 0.00 0.00 176.83 177.01 1n4p h LEU 331 N 0.87 0.00 -2.85 2.23 4.07 -1.13 0.28 115.31 118.77 1n4p h LEU 331 Ca 0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1n4p h LEU 331 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1n4p h LEU 331 CO -0.10 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.49 1n4p n MET 332 N -4.14 2.93 -3.26 1.13 2.81 -0.45 -4.99 117.12 111.15 1n4p n MET 332 Ca 0.05 -2.60 -0.15 0.00 -1.81 0.00 0.00 57.70 53.19 1n4p n MET 332 Cb 0.45 -1.58 0.07 0.00 -0.71 0.00 0.00 33.22 31.46 1n4p n MET 332 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1n4p n GLU 333 N 1.33 -3.41 -1.73 0.03 1.02 0.98 -4.95 120.64 113.91 1n4p n GLU 333 Ca 0.22 0.84 -0.42 0.00 -0.02 0.00 0.00 57.16 57.78 1n4p n GLU 333 Cb 0.64 -5.74 -0.02 0.00 -0.02 0.00 0.00 31.44 26.30 1n4p n GLU 333 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1n4p n GLU 334 N -3.43 2.59 -1.77 3.49 4.07 -1.14 -4.88 120.64 119.57 1n4p n GLU 334 Ca -0.13 0.92 -0.43 0.00 -0.06 0.00 0.00 57.16 57.47 1n4p n GLU 334 Cb 0.63 -2.69 -0.03 0.00 -0.06 0.00 0.00 31.44 29.30 1n4p n GLU 334 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1n4p s SER 335 N 0.47 5.97 0.00 4.31 0.15 -1.26 -1.77 113.70 121.57 1n4p s SER 335 Ca 0.65 2.00 0.00 0.00 0.70 0.00 0.00 55.95 59.29 1n4p s SER 335 Cb -0.52 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.27 1n4p s SER 335 CO 0.48 -1.54 0.00 0.61 1.20 0.00 0.00 173.24 174.00 1n4p n GLY 336 N 5.16 0.65 3.33 9.45 0.00 -1.26 -5.07 105.19 117.45 1n4p n GLY 336 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1n4p n GLY 336 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4p s ILE 337 N -2.00 2.59 0.86 -0.61 1.01 -0.73 -4.72 121.20 117.60 1n4p s ILE 337 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 1n4p s ILE 337 Cb 0.00 -2.02 0.11 0.00 0.01 0.00 0.00 42.46 40.56 1n4p s ILE 337 CO 0.00 0.55 1.14 0.00 0.00 0.00 0.00 174.94 176.63 1n4p s LYS 339 N -4.65 4.47 0.39 0.00 2.20 -1.26 -4.76 119.74 116.13 1n4p s LYS 339 Ca 0.66 1.26 -0.19 0.00 -0.36 0.00 0.00 55.97 57.34 1n4p s LYS 339 Cb -0.22 -3.49 -0.10 0.00 -1.51 0.00 0.00 37.83 32.51 1n4p s LYS 339 CO 0.56 -0.12 0.87 0.54 -0.36 0.00 0.00 175.35 176.84 1n4p s VAL 340 N 1.34 4.49 -0.48 4.02 0.11 -1.26 -0.77 120.40 127.85 1n4p s VAL 340 Ca 0.47 1.30 -0.22 0.00 -2.93 0.00 0.00 61.98 60.60 1n4p s VAL 340 Cb -0.19 -3.61 0.03 0.00 -1.53 0.00 0.00 36.38 31.08 1n4p s VAL 340 CO 0.22 -0.26 0.74 -2.28 -3.33 0.00 0.00 175.10 170.19 1n4p s HIS 341 N -2.10 2.99 0.35 1.54 2.46 0.14 -4.64 115.29 116.03 1n4p s HIS 341 Ca 0.59 -0.07 0.13 0.00 0.47 0.00 0.00 55.06 56.18 1n4p s HIS 341 Cb -0.10 -3.62 0.96 0.00 -0.13 0.00 0.00 32.58 29.70 1n4p s HIS 341 CO 0.15 -1.03 1.74 -1.00 -2.47 0.00 0.00 174.74 172.13 1n4p h PRO 342 N 9.01 0.50 0.13 2.88 0.13 -1.92 0.23 132.00 142.97 1n4p h PRO 342 Ca -0.26 -0.03 -0.36 0.00 -0.87 0.00 0.00 66.00 64.49 1n4p h PRO 342 Cb 1.09 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1n4p h PRO 342 CO 0.96 0.33 -1.92 0.00 -0.23 0.00 0.00 178.00 177.15 1n4p h ALA 343 N 1.69 0.39 0.00 -0.56 0.00 -1.92 -3.38 119.26 115.48 1n4p h ALA 343 Ca 0.63 -1.34 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1n4p h ALA 343 Cb 1.32 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1n4p h ALA 343 CO -0.41 1.27 -0.33 1.25 0.00 0.00 0.00 179.25 181.03 1n4p h LEU 344 N 0.08 0.00 -1.35 0.00 5.85 -1.91 -3.47 115.31 114.51 1n4p h LEU 344 Ca -0.39 -0.02 -0.28 0.00 0.84 0.00 0.00 57.88 58.02 1n4p h LEU 344 Cb 2.05 0.00 0.12 0.00 0.37 0.00 0.00 40.66 43.20 1n4p h LEU 344 CO 0.11 0.01 -0.56 -3.20 -0.34 0.00 0.00 178.44 174.46 1n4p n ASN 345 N -2.75 -3.54 -3.97 1.25 5.15 0.06 -5.03 115.26 106.43 1n4p n ASN 345 Ca 0.03 -0.45 -0.09 0.00 -0.60 0.00 0.00 54.58 53.47 1n4p n ASN 345 Cb 0.51 -4.01 -0.06 0.00 -0.53 0.00 0.00 39.78 35.69 1n4p n ASN 345 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1n4p s VAL 346 N -3.26 0.02 0.57 3.44 -7.23 -1.25 -4.97 120.40 107.72 1n4p s VAL 346 Ca 0.20 -1.37 -0.20 0.00 -1.81 0.00 0.00 61.98 58.81 1n4p s VAL 346 Cb -0.09 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1n4p s VAL 346 CO 0.56 -0.09 1.21 -0.94 -0.31 0.00 0.00 175.10 175.53 1n4p s SER 347 N -3.00 5.37 0.52 4.85 1.04 -1.26 0.29 113.70 121.51 1n4p s SER 347 Ca 0.21 2.40 0.19 0.00 0.48 0.00 0.00 55.95 59.22 1n4p s SER 347 Cb 0.01 -2.60 1.33 0.00 0.10 0.00 0.00 66.02 64.86 1n4p s SER 347 CO 0.05 -1.47 2.14 0.71 0.98 0.00 0.00 173.24 175.65 1n4p h THR 348 N 1.10 0.92 -0.15 2.02 1.35 -1.22 0.12 112.91 117.06 1n4p h THR 348 Ca -0.50 -0.13 0.03 0.00 -0.55 0.00 0.00 66.41 65.26 1n4p h THR 348 Cb 1.29 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 68.75 1n4p h THR 348 CO 0.56 0.04 -0.03 -0.09 -0.25 0.00 0.00 175.52 175.74 1n4p h ARG 349 N 0.00 0.00 -0.48 4.72 2.43 -1.89 -0.81 114.38 118.35 1n4p h ARG 349 Ca -0.00 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1n4p h ARG 349 Cb 0.07 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1n4p h ARG 349 CO 0.00 0.00 -0.06 1.15 -1.51 0.00 0.00 179.97 179.56 1n4p h THR 350 N 0.00 1.26 -0.19 0.20 2.02 -1.38 -2.07 112.91 112.75 1n4p h THR 350 Ca 0.07 -1.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.08 1n4p h THR 350 Cb 0.11 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1n4p h THR 350 CO -0.15 0.39 -0.09 0.77 0.37 0.00 0.00 175.52 176.82 1n4p h SER 351 N 0.77 0.27 -0.08 4.18 4.64 -0.65 0.07 113.55 122.75 1n4p h SER 351 Ca 0.14 -0.05 -0.22 0.00 -0.47 0.00 0.00 61.79 61.19 1n4p h SER 351 Cb 0.55 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1n4p h SER 351 CO 0.03 0.39 -0.80 -0.33 -0.87 0.00 0.00 176.83 175.26 1n4p h GLU 352 N 0.28 0.74 -0.57 4.77 5.08 -0.86 0.04 114.58 124.05 1n4p h GLU 352 Ca 0.06 -0.62 -0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1n4p h GLU 352 Cb 0.33 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1n4p h GLU 352 CO 0.02 1.22 0.35 -0.09 -1.00 0.00 0.00 179.01 179.51 1n4p h ARG 353 N 0.50 0.76 -0.14 2.33 1.12 -0.86 0.66 114.38 118.76 1n4p h ARG 353 Ca -0.06 -0.06 -0.13 0.00 -1.11 0.00 0.00 59.98 58.62 1n4p h ARG 353 Cb 1.42 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 1n4p h ARG 353 CO 0.16 0.53 -0.49 1.25 -3.11 0.00 0.00 179.97 178.32 1n4p h LEU 354 N 0.78 0.38 -1.14 3.80 5.85 -0.65 -2.25 115.31 122.09 1n4p h LEU 354 Ca 0.21 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1n4p h LEU 354 Cb -0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1n4p h LEU 354 CO -0.04 0.81 0.03 -0.09 -0.34 0.00 0.00 178.44 178.81 1n4p h ARG 355 N 0.28 0.63 -0.12 1.25 2.43 0.11 -2.51 114.38 116.46 1n4p h ARG 355 Ca 0.01 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 1n4p h ARG 355 Cb 0.96 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1n4p h ARG 355 CO 0.08 0.63 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.59 1n4p h ASP 356 N 0.61 0.33 -0.78 -3.80 3.32 -0.88 -2.34 116.42 112.88 1n4p h ASP 356 Ca 0.13 -0.51 0.19 0.00 0.02 0.00 0.00 57.03 56.86 1n4p h ASP 356 Cb 0.34 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1n4p h ASP 356 CO 0.01 0.77 0.53 -0.07 -1.72 0.00 0.00 179.24 178.76 1n4p h LEU 357 N -0.10 0.24 -0.03 1.55 3.38 -1.21 -0.29 115.31 118.86 1n4p h LEU 357 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1n4p h LEU 357 Cb 0.69 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1n4p h LEU 357 CO 0.03 0.11 -0.06 0.45 0.09 0.00 0.00 178.44 179.07 1n4p h HIS 358 N 0.25 0.10 -0.40 1.13 3.86 -1.29 -2.29 115.15 116.52 1n4p h HIS 358 Ca 0.39 -0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.63 1n4p h HIS 358 Cb 1.14 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 29.52 1n4p h HIS 358 CO -0.00 0.65 0.01 1.96 0.86 0.00 0.00 177.93 181.40 1n4p h GLN 359 N -0.47 0.11 -0.55 2.45 7.50 -0.62 -2.20 115.11 121.33 1n4p h GLN 359 Ca 0.00 -0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.16 1n4p h GLN 359 Cb 0.64 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.12 1n4p h GLN 359 CO 0.01 0.07 0.35 0.66 -1.50 0.00 0.00 178.83 178.42 1n4p h SER 360 N 0.11 0.58 -0.78 1.46 4.64 -1.14 -2.06 113.55 116.37 1n4p h SER 360 Ca 0.20 -0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.60 1n4p h SER 360 Cb 0.27 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 1n4p h SER 360 CO -0.32 0.42 0.51 -0.50 -0.87 0.00 0.00 176.83 176.07 1n4p h TRP 361 N 0.70 0.79 -1.34 4.77 6.55 -0.81 -3.33 115.95 123.28 1n4p h TRP 361 Ca 0.21 0.02 -0.53 0.00 0.95 0.00 0.00 58.89 59.55 1n4p h TRP 361 Cb -0.03 -0.26 -0.08 0.00 -0.86 0.00 0.00 29.16 27.93 1n4p h TRP 361 CO -0.05 0.38 1.27 0.15 -1.05 0.00 0.00 178.44 179.14 1n4p s LYS 362 N -5.68 3.27 0.00 0.49 3.01 -0.77 -5.12 119.74 114.93 1n4p s LYS 362 Ca -0.10 -0.69 0.00 0.00 -1.01 0.00 0.00 55.97 54.17 1n4p s LYS 362 Cb 0.20 -5.01 0.00 0.00 -1.01 0.00 0.00 37.83 32.01 1n4p s LYS 362 CO 0.78 -2.44 0.00 0.25 0.51 0.00 0.00 175.35 174.45