#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 4.59 -0.45 -1.43 3.84 -1.26 -5.07 116.67 116.88 1n4p s ASP 19 Ca 0.00 -0.65 -0.25 0.00 -0.00 0.00 0.00 52.55 51.65 1n4p s ASP 19 Cb 0.00 -0.85 0.03 0.00 -1.38 0.00 0.00 42.92 40.72 1n4p s ASP 19 CO 0.00 -0.03 0.90 0.12 -0.00 0.00 0.00 175.17 176.16 1n4p s PHE 20 N -2.33 2.94 -1.28 2.11 5.36 -1.26 -4.95 117.98 118.57 1n4p s PHE 20 Ca 0.32 0.37 -0.08 0.00 -0.96 0.00 0.00 56.93 56.58 1n4p s PHE 20 Cb -0.06 -3.90 -0.09 0.00 -0.34 0.00 0.00 43.02 38.64 1n4p s PHE 20 CO 0.20 -1.06 2.70 1.28 -1.46 0.00 0.00 175.22 176.88 1n4p n LEU 21 N 7.07 7.22 -0.29 6.12 4.32 -1.26 -4.79 117.00 135.39 1n4p n LEU 21 Ca 0.06 -3.77 0.05 0.00 -0.02 0.00 0.00 56.01 52.32 1n4p n LEU 21 Cb 0.48 -1.38 0.15 0.00 -1.62 0.00 0.00 43.42 41.05 1n4p n LEU 21 CO 0.63 1.55 0.75 -0.09 -1.22 0.00 0.00 177.39 179.01 1n4p h ARG 22 N 5.33 0.03 -0.86 3.23 2.43 -1.98 -1.04 114.38 121.51 1n4p h ARG 22 Ca 0.70 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.86 1n4p h ARG 22 Cb 0.31 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1n4p h ARG 22 CO 1.57 0.02 0.48 -0.44 -1.51 0.00 0.00 179.97 180.09 1n4p h ASP 23 N 0.03 1.07 -0.10 -3.80 3.32 -2.00 -2.19 116.42 112.76 1n4p h ASP 23 Ca 0.43 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 1n4p h ASP 23 Cb 0.73 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1n4p h ASP 23 CO -0.81 0.86 -0.18 -0.09 -1.72 0.00 0.00 179.24 177.30 1n4p h ARG 24 N 1.20 0.49 0.00 3.56 2.43 -1.62 -2.23 114.38 118.21 1n4p h ARG 24 Ca 0.30 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1n4p h ARG 24 Cb 0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1n4p h ARG 24 CO -0.05 0.65 -0.45 0.45 -1.51 0.00 0.00 179.97 179.07 1n4p h HIS 25 N 0.44 0.00 -0.30 2.20 3.86 -1.02 -0.08 115.15 120.25 1n4p h HIS 25 Ca 0.07 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1n4p h HIS 25 Cb 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1n4p h HIS 25 CO 0.02 0.45 0.01 0.28 0.86 0.00 0.00 177.93 179.54 1n4p h VAL 26 N 0.00 1.25 -0.54 2.45 2.07 -0.84 -1.16 116.25 119.48 1n4p h VAL 26 Ca -0.00 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1n4p h VAL 26 Cb 0.84 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1n4p h VAL 26 CO 0.06 0.30 0.26 0.03 0.02 0.00 0.00 177.57 178.23 1n4p h ARG 27 N 0.32 0.78 0.03 1.57 2.47 -1.04 -1.35 114.38 117.17 1n4p h ARG 27 Ca 0.09 -0.12 0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1n4p h ARG 27 Cb 0.42 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 1n4p h ARG 27 CO 0.01 0.65 -0.19 0.35 0.56 0.00 0.00 179.97 181.34 1n4p h PHE 28 N 0.73 -0.51 -0.88 3.04 3.57 -0.81 0.27 116.94 122.36 1n4p h PHE 28 Ca 0.19 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1n4p h PHE 28 Cb 0.12 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1n4p h PHE 28 CO -0.00 -0.28 0.51 0.74 -2.23 0.00 0.00 178.31 177.05 1n4p h PHE 29 N -0.33 1.17 -0.98 0.41 0.05 -1.06 -1.52 116.94 114.68 1n4p h PHE 29 Ca 0.05 -0.01 0.05 0.00 3.82 0.00 0.00 57.97 61.88 1n4p h PHE 29 Cb 0.39 -0.38 -0.06 0.00 2.00 0.00 0.00 35.95 37.90 1n4p h PHE 29 CO -0.23 0.80 0.63 0.37 -0.18 0.00 0.00 178.31 179.70 1n4p h GLN 30 N 1.21 1.15 -0.18 1.51 4.15 -0.83 -0.99 115.11 121.14 1n4p h GLN 30 Ca 0.31 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.58 1n4p h GLN 30 Cb -0.02 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.40 1n4p h GLN 30 CO -0.06 0.76 -0.26 -0.09 -1.93 0.00 0.00 178.83 177.26 1n4p h ARG 31 N 1.18 0.33 0.00 1.69 2.43 0.01 -2.88 114.38 117.14 1n4p h ARG 31 Ca 0.41 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1n4p h ARG 31 Cb 0.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1n4p h ARG 31 CO -0.15 0.57 -0.36 0.00 -1.51 0.00 0.00 179.97 178.52 1n4p n LEU 33 N -3.98 0.33 0.00 0.00 7.99 -1.05 -4.75 117.00 115.55 1n4p n LEU 33 Ca -0.02 0.53 0.00 0.00 -0.01 0.00 0.00 56.01 56.52 1n4p n LEU 33 Cb 0.41 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1n4p n LEU 33 CO 0.38 -0.10 0.00 0.00 -1.51 0.00 0.00 177.39 176.16 1n4p n GLN 34 N -1.82 0.00 -5.11 3.23 6.02 -1.00 -5.06 117.38 113.64 1n4p n GLN 34 Ca 0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.77 1n4p n GLN 34 Cb 0.36 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.47 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 0.78 1.77 0.08 5.09 1.01 -1.26 -5.14 120.40 122.74 1n4p s VAL 35 Ca 0.00 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.12 1n4p s VAL 35 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1n4p s VAL 35 CO 0.00 0.50 -0.23 -0.76 0.00 0.00 0.00 175.10 174.61 1n4p s LEU 36 N -0.49 2.39 0.96 3.92 1.43 -1.26 -4.98 118.68 120.65 1n4p s LEU 36 Ca 0.08 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1n4p s LEU 36 Cb -0.09 -1.36 0.17 0.00 0.03 0.00 0.00 46.19 44.94 1n4p s LEU 36 CO -0.01 0.22 1.10 -2.84 0.23 0.00 0.00 176.35 175.06 1n4p s PRO 37 N -1.66 0.73 0.62 1.29 0.02 -1.26 -4.89 135.00 129.85 1n4p s PRO 37 Ca 0.14 1.19 0.41 0.00 0.02 0.00 0.00 61.00 62.76 1n4p s PRO 37 Cb -0.10 -1.72 2.16 0.00 0.02 0.00 0.00 34.50 34.86 1n4p s PRO 37 CO 0.05 -2.71 2.25 1.49 -0.33 0.00 0.00 177.00 177.75 1n4p h GLU 38 N -1.91 0.00 0.00 5.54 4.81 -2.03 -2.52 114.58 118.48 1n4p h GLU 38 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1n4p h GLU 38 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1n4p h GLU 38 CO 0.47 0.00 0.00 2.89 -0.73 0.00 0.00 179.01 181.64 1n4p n ARG 39 N -3.01 0.13 -0.71 1.92 1.85 -1.26 -1.13 116.66 114.45 1n4p n ARG 39 Ca -0.02 0.55 0.08 0.00 -1.00 0.00 0.00 57.85 57.46 1n4p n ARG 39 Cb 0.11 -1.87 0.37 0.00 -1.05 0.00 0.00 32.46 30.02 1n4p n ARG 39 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1n4p n TYR 40 N -2.14 1.68 0.05 2.89 4.02 -0.95 -4.58 117.16 118.14 1n4p n TYR 40 Ca -0.00 -0.63 0.20 0.00 -0.01 0.00 0.00 57.90 57.46 1n4p n TYR 40 Cb 0.08 -0.34 0.72 0.00 -0.02 0.00 0.00 39.34 39.78 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 3.95 0.00 0.31 7.72 4.64 -1.33 -0.96 113.55 127.88 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 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1n4p h SER 41 CO 0.33 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.75 1n4p n SER 42 N -4.16 0.00 -0.20 4.97 3.41 -1.26 -1.96 113.62 114.42 1n4p n SER 42 Ca 0.08 -0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.74 1n4p n SER 42 Cb 0.56 -0.25 0.21 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.25 1.07 -0.31 1.04 4.77 -0.37 -4.53 117.00 117.43 1n4p n LEU 43 Ca 0.10 -0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 55.73 1n4p n LEU 43 Cb 0.14 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1n4p n LEU 43 CO 0.14 0.22 0.59 -0.08 -1.33 0.00 0.00 177.39 176.93 1n4p h GLU 44 N 0.97 -0.07 0.00 3.23 4.57 -1.54 0.15 114.58 121.88 1n4p h GLU 44 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1n4p h GLU 44 Cb 0.55 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 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 -5.44 0.00 -2.55 0.32 -2.24 -1.26 -2.93 114.28 100.18 1n4p n THR 45 Ca 0.07 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.83 1n4p n THR 45 Cb 0.37 -0.65 0.05 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.97 1.90 0.03 3.42 3.41 0.49 -4.02 113.62 117.88 1n4p n SER 46 Ca 0.14 -2.39 0.01 0.00 -0.26 0.00 0.00 58.87 56.37 1n4p n SER 46 Cb 0.06 -0.42 0.35 0.00 -0.26 0.00 0.00 64.21 63.95 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 2.01 0.47 -0.61 4.33 3.08 -1.31 -2.48 114.38 119.87 1n4p h ARG 47 Ca -0.08 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1n4p h ARG 47 Cb 1.45 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.40 1n4p h ARG 47 CO 0.23 0.46 0.34 1.25 -1.07 0.00 0.00 179.97 181.18 1n4p h LEU 48 N 0.46 0.74 -0.35 3.04 5.85 -1.56 0.33 115.31 123.81 1n4p h LEU 48 Ca 0.11 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1n4p h LEU 48 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1n4p h LEU 48 CO 0.00 0.59 -0.35 0.71 -0.34 0.00 0.00 178.44 179.05 1n4p h THR 49 N 0.84 0.65 -0.42 1.05 1.35 -1.75 -1.20 112.91 113.43 1n4p h THR 49 Ca 0.22 -1.71 -0.15 0.00 -0.55 0.00 0.00 66.41 64.22 1n4p h THR 49 Cb 0.01 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 1n4p h THR 49 CO -0.04 0.34 -0.31 0.40 -0.25 0.00 0.00 175.52 175.66 1n4p h ILE 50 N 0.00 1.27 -0.72 6.82 1.08 -1.10 -1.74 117.51 123.12 1n4p h ILE 50 Ca -0.00 -1.48 -0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1n4p h ILE 50 Cb 1.13 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 1n4p h ILE 50 CO 0.05 0.50 0.43 0.00 -0.69 0.00 0.00 178.15 178.43 1n4p h ALA 51 N 0.85 0.91 -0.08 1.87 0.00 -0.64 -2.20 119.26 119.97 1n4p h ALA 51 Ca 0.08 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1n4p h ALA 51 Cb 0.89 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1n4p h ALA 51 CO 0.08 0.39 -0.02 0.35 0.00 0.00 0.00 179.25 180.04 1n4p h PHE 52 N 0.98 -0.05 -0.64 0.00 3.57 -0.88 0.17 116.94 120.08 1n4p h PHE 52 Ca 0.26 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.83 1n4p h PHE 52 Cb -0.03 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 1n4p h PHE 52 CO -0.01 -0.04 0.32 0.74 -2.23 0.00 0.00 178.31 177.09 1n4p h PHE 53 N -0.01 0.59 -0.17 0.41 0.05 -1.06 0.19 116.94 116.94 1n4p h PHE 53 Ca 0.04 0.03 -0.10 0.00 3.82 0.00 0.00 57.97 61.76 1n4p h PHE 53 Cb 0.07 -0.17 -0.00 0.00 2.00 0.00 0.00 35.95 37.85 1n4p h PHE 53 CO -0.14 0.25 -0.28 0.00 -0.18 0.00 0.00 178.31 177.97 1n4p h ALA 54 N 1.37 0.27 -0.07 2.45 0.00 -1.06 -0.84 119.26 121.37 1n4p h ALA 54 Ca 0.30 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1n4p h ALA 54 Cb 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n4p h ALA 54 CO -0.22 0.27 -0.07 -0.07 0.00 0.00 0.00 179.25 179.15 1n4p h LEU 55 N 0.13 0.18 -1.42 0.00 3.38 -0.45 0.11 115.31 117.24 1n4p h LEU 55 Ca 0.01 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 1n4p h LEU 55 Cb 0.85 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1n4p h LEU 55 CO 0.06 0.64 -0.29 -1.28 0.09 0.00 0.00 178.44 177.67 1n4p h SER 56 N -0.27 0.00 -0.06 -0.43 0.87 -0.75 0.14 113.55 113.05 1n4p h SER 56 Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1n4p h SER 56 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1n4p h SER 56 CO 0.02 0.29 -0.00 1.23 -0.53 0.00 0.00 176.83 177.83 1n4p h GLY 57 N 0.89 0.12 1.01 5.77 0.00 -0.95 0.11 103.07 110.01 1n4p h GLY 57 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1n4p h GLY 57 CO 0.04 0.08 0.43 1.41 0.00 0.00 0.00 176.54 178.50 1n4p h LEU 58 N -0.19 0.91 -0.18 3.11 3.38 -0.29 -1.92 115.31 120.12 1n4p h LEU 58 Ca 0.02 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1n4p h LEU 58 Cb 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1n4p h LEU 58 CO 0.00 0.72 0.05 -0.78 0.09 0.00 0.00 178.44 178.52 1n4p h ASP 59 N 1.02 0.04 -0.17 -0.43 -0.00 -0.59 0.94 116.42 117.23 1n4p h ASP 59 Ca 0.26 0.02 0.05 0.00 -0.00 0.00 0.00 57.03 57.37 1n4p h ASP 59 Cb -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 1n4p h ASP 59 CO -0.05 0.05 0.14 -0.03 -0.00 0.00 0.00 179.24 179.35 1n4p h MET 60 N 0.13 0.00 -0.65 0.28 4.05 -0.36 0.18 114.93 118.56 1n4p h MET 60 Ca 0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1n4p h MET 60 Cb 0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1n4p h MET 60 CO -0.09 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.33 1n4p n LEU 61 N -4.25 3.84 -3.71 3.39 4.77 -0.50 -0.57 117.00 119.97 1n4p n LEU 61 Ca 0.01 -1.89 -0.23 0.00 -0.03 0.00 0.00 56.01 53.87 1n4p n LEU 61 Cb 0.27 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1n4p n LEU 61 CO 0.32 0.93 -0.09 -0.67 -1.33 0.00 0.00 177.39 176.56 1n4p n ASP 62 N 1.60 -2.04 -0.98 -1.43 2.03 0.64 -4.92 116.55 111.45 1n4p n ASP 62 Ca 0.23 -0.88 0.04 0.00 0.52 0.00 0.00 54.79 54.71 1n4p n ASP 62 Cb 0.62 -3.86 0.06 0.00 -0.72 0.00 0.00 41.12 37.21 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 -2.99 1.00 0.16 1.67 7.64 0.08 -4.83 113.62 116.36 1n4p n SER 63 Ca -0.25 -2.43 0.12 0.00 1.01 0.00 0.00 58.87 57.31 1n4p n SER 63 Cb 0.66 -0.33 0.59 0.00 -1.01 0.00 0.00 64.21 64.13 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 -0.07 0.61 0.28 -3.43 4.77 -1.26 -1.99 117.00 115.92 1n4p n LEU 64 Ca 0.08 0.76 0.15 0.00 -0.03 0.00 0.00 56.01 56.96 1n4p n LEU 64 Cb 0.92 -0.80 0.85 0.00 -2.33 0.00 0.00 43.42 42.06 1n4p n LEU 64 CO -0.03 -0.90 1.05 -2.24 -1.33 0.00 0.00 177.39 173.95 1n4p h ASP 65 N 0.00 0.00 0.00 -1.43 2.03 -1.95 -2.48 116.42 112.60 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 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1n4p h ASP 65 CO 0.00 0.06 0.00 1.33 -1.03 0.00 0.00 179.24 179.60 1n4p n VAL 66 N -3.62 0.00 -4.42 4.15 0.24 -0.84 -4.78 118.33 109.06 1n4p n VAL 66 Ca -0.02 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.07 1n4p n VAL 66 Cb 0.17 -0.57 -0.10 0.00 -1.47 0.00 0.00 33.84 31.87 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 1.83 -0.89 3.34 -7.23 -0.93 -5.08 120.40 109.44 1n4p s VAL 67 Ca 0.35 -2.20 -0.18 0.00 -1.81 0.00 0.00 61.98 58.14 1n4p s VAL 67 Cb 0.16 -2.31 0.15 0.00 0.56 0.00 0.00 36.38 34.93 1n4p s VAL 67 CO 0.27 -0.40 1.03 0.21 -0.31 0.00 0.00 175.10 175.89 1n4p s ASN 68 N -3.42 6.63 0.22 4.85 3.84 -1.26 -4.91 114.94 120.88 1n4p s ASN 68 Ca 0.27 -2.13 -0.10 0.00 0.21 0.00 0.00 52.86 51.12 1n4p s ASN 68 Cb 0.01 -2.36 0.31 0.00 -0.55 0.00 0.00 41.25 38.67 1n4p s ASN 68 CO 0.11 -0.97 1.66 0.11 -2.79 0.00 0.00 177.10 175.22 1n4p h LYS 69 N 8.65 0.13 -0.69 0.43 1.57 -1.94 -1.97 116.57 122.75 1n4p h LYS 69 Ca 0.12 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1n4p h LYS 69 Cb 1.03 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.25 1n4p h LYS 69 CO 1.03 0.08 0.38 -0.44 -0.57 0.00 0.00 179.45 179.94 1n4p h ASP 70 N 0.13 0.55 -0.13 0.86 3.32 -1.92 0.13 116.42 119.36 1n4p h ASP 70 Ca 0.33 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1n4p h ASP 70 Cb 0.54 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1n4p h ASP 70 CO -0.53 0.35 0.08 0.44 -1.72 0.00 0.00 179.24 177.86 1n4p h ASP 71 N 0.69 0.13 -0.61 6.45 3.32 -1.79 -2.41 116.42 122.20 1n4p h ASP 71 Ca 0.31 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 1n4p h ASP 71 Cb 0.22 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1n4p h ASP 71 CO -0.20 0.10 0.16 0.40 -1.72 0.00 0.00 179.24 177.98 1n4p h ILE 72 N 0.17 1.25 -0.67 0.35 2.04 -1.09 -1.89 117.51 117.67 1n4p h ILE 72 Ca 0.05 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1n4p h ILE 72 Cb -0.01 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1n4p h ILE 72 CO -0.02 0.35 0.37 0.40 0.00 0.00 0.00 178.15 179.25 1n4p h ILE 73 N 0.96 1.20 -0.31 -0.67 2.04 -0.75 -0.18 117.51 119.79 1n4p h ILE 73 Ca 0.20 -0.48 -0.16 0.00 1.00 0.00 0.00 64.86 65.42 1n4p h ILE 73 Cb 0.34 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1n4p h ILE 73 CO 0.00 0.22 -0.45 -0.33 0.00 0.00 0.00 178.15 177.59 1n4p h GLU 74 N 0.93 0.80 -0.44 2.37 4.39 -1.00 -1.81 114.58 119.82 1n4p h GLU 74 Ca 0.24 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 1n4p h GLU 74 Cb 0.01 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1n4p h GLU 74 CO -0.04 1.08 0.19 2.35 -1.16 0.00 0.00 179.01 181.43 1n4p h TRP 75 N 0.64 0.66 -0.39 4.33 7.01 -0.72 -1.54 115.95 125.93 1n4p h TRP 75 Ca 0.04 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1n4p h TRP 75 Cb 1.03 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.87 1n4p h TRP 75 CO 0.06 0.55 0.20 0.82 -2.79 0.00 0.00 178.44 177.28 1n4p h ILE 76 N 0.57 1.16 0.00 2.65 2.04 -0.96 -2.23 117.51 120.73 1n4p h ILE 76 Ca 0.15 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1n4p h ILE 76 Cb 0.16 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1n4p h ILE 76 CO -0.01 0.17 -0.05 1.88 0.00 0.00 0.00 178.15 180.13 1n4p h TYR 77 N 0.49 0.00 0.00 1.37 0.05 -1.06 0.54 116.97 118.37 1n4p h TYR 77 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1n4p h TYR 77 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1n4p h TYR 77 CO -0.02 0.05 0.00 -1.13 -1.05 0.00 0.00 178.16 176.01 1n4p n SER 78 N -3.38 0.34 -0.16 3.88 3.41 -0.60 -2.56 113.62 114.53 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 -0.64 0.22 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.84 0.98 -4.72 1.04 4.77 0.18 -4.63 117.00 112.77 1n4p n LEU 79 Ca 0.04 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 1n4p n LEU 79 Cb 0.28 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1n4p n LEU 79 CO 0.22 0.20 0.85 -1.58 -1.33 0.00 0.00 177.39 175.75 1n4p s GLN 80 N -2.73 4.48 -0.56 3.23 0.74 -1.06 -0.44 119.66 123.32 1n4p s GLN 80 Ca 0.17 1.75 -0.21 0.00 0.05 0.00 0.00 55.36 57.11 1n4p s GLN 80 Cb 0.18 -3.33 0.06 0.00 1.10 0.00 0.00 33.01 31.02 1n4p s GLN 80 CO 0.63 -0.17 0.78 0.08 -0.55 0.00 0.00 175.29 176.07 1n4p s VAL 81 N 0.71 4.64 0.32 1.34 1.01 0.10 -4.90 120.40 123.63 1n4p s VAL 81 Ca 0.56 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 1n4p s VAL 81 Cb -0.29 -4.46 -0.06 0.00 0.00 0.00 0.00 36.38 31.57 1n4p s VAL 81 CO 0.31 -1.05 0.64 -0.76 0.00 0.00 0.00 175.10 174.23 1n4p s LEU 82 N 3.23 4.00 0.48 3.92 1.43 -1.26 -3.13 118.68 127.35 1n4p s LEU 82 Ca 0.20 0.92 -0.22 0.00 -1.03 0.00 0.00 54.13 53.99 1n4p s LEU 82 Cb -0.18 -3.75 -0.07 0.00 0.03 0.00 0.00 46.19 42.22 1n4p s LEU 82 CO 0.13 -0.25 1.20 -2.16 0.23 0.00 0.00 176.35 175.50 1n4p s PRO 83 N -3.50 3.60 0.94 1.29 0.04 -1.26 -4.21 135.00 131.91 1n4p s PRO 83 Ca 0.48 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 63.23 1n4p s PRO 83 Cb -0.11 -2.34 0.16 0.00 0.04 0.00 0.00 34.50 32.25 1n4p s PRO 83 CO 0.28 -0.70 1.14 0.95 0.04 0.00 0.00 177.00 178.72 1n4p s THR 84 N -1.52 1.97 0.20 1.26 -4.23 -1.26 -2.48 115.64 109.58 1n4p s THR 84 Ca 0.66 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.03 1n4p s THR 84 Cb -0.30 -2.72 0.18 0.00 1.34 0.00 0.00 72.50 70.99 1n4p s THR 84 CO 0.36 0.00 1.65 1.05 -0.54 0.00 0.00 174.62 177.15 1n4p h GLU 85 N -1.63 0.05 0.00 3.99 9.09 -1.96 0.32 114.58 124.44 1n4p h GLU 85 Ca -0.50 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1n4p h GLU 85 Cb 1.32 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 1n4p h GLU 85 CO 0.58 0.03 0.00 -0.40 0.05 0.00 0.00 179.01 179.27 1n4p n ASP 86 N -5.33 0.00 -4.28 3.06 3.85 -1.26 -4.90 116.55 107.69 1n4p n ASP 86 Ca 0.06 -1.29 -0.35 0.00 -0.71 0.00 0.00 54.79 52.51 1n4p n ASP 86 Cb 0.30 0.00 -0.05 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 -0.81 -2.11 -0.28 0.11 1.74 0.11 -4.84 116.66 110.58 1n4p n ARG 87 Ca 0.14 0.26 0.12 0.00 -0.77 0.00 0.00 57.85 57.60 1n4p n ARG 87 Cb 0.06 -4.59 0.27 0.00 -1.02 0.00 0.00 32.46 27.19 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 -2.71 3.58 -0.72 0.55 3.41 -1.26 -4.24 113.62 112.23 1n4p n SER 88 Ca -0.07 -1.99 0.06 0.00 -0.26 0.00 0.00 58.87 56.61 1n4p n SER 88 Cb 0.56 -0.37 0.15 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.50 1.56 -0.35 4.04 6.94 -1.26 -4.82 115.26 122.87 1n4p n ASN 89 Ca 0.22 -3.29 0.02 0.00 -0.02 0.00 0.00 54.58 51.50 1n4p n ASN 89 Cb 0.59 -0.45 0.16 0.00 -2.36 0.00 0.00 39.78 37.72 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 0.81 0.98 0.00 -4.53 3.38 -1.95 -1.38 115.31 112.63 1n4p h LEU 90 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1n4p h LEU 90 Cb 1.21 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1n4p h LEU 90 CO 0.02 0.63 0.00 0.47 0.09 0.00 0.00 178.44 179.66 1n4p n ASP 91 N -4.53 0.00 -0.03 -0.43 8.00 -1.26 -2.23 116.55 116.07 1n4p n ASP 91 Ca 0.14 -0.29 0.01 0.00 0.71 0.00 0.00 54.79 55.36 1n4p n ASP 91 Cb 0.17 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.28 1n4p n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n4p n ARG 92 N -0.95 2.00 -2.37 -1.24 1.74 -0.52 -4.66 116.66 110.65 1n4p n ARG 92 Ca 0.06 -1.39 -0.30 0.00 -0.77 0.00 0.00 57.85 55.44 1n4p n ARG 92 Cb 0.03 -0.93 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.04 0.06 3.23 0.00 0.00 -1.18 -4.41 105.19 100.85 1n4p n GLY 94 Ca 0.04 -0.94 -0.22 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 1.56 0.38 1.61 0.40 -1.26 0.01 117.98 116.67 1n4p s PHE 95 Ca 0.00 -0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1n4p s PHE 95 Cb 0.00 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.63 1n4p s PHE 95 CO 0.00 0.13 0.60 1.03 0.70 0.00 0.00 175.22 177.69 1n4p s ARG 96 N -1.72 3.43 0.32 0.44 0.52 0.42 -1.05 118.95 121.31 1n4p s ARG 96 Ca 0.03 -0.28 0.17 0.00 -0.52 0.00 0.00 55.73 55.14 1n4p s ARG 96 Cb -0.10 -2.60 0.15 0.00 0.52 0.00 0.00 34.95 32.93 1n4p s ARG 96 CO 0.03 0.03 1.49 0.78 0.02 0.00 0.00 175.30 177.66 1n4p h GLY 97 N 0.62 0.00 0.00 -3.53 0.00 -1.89 -3.46 103.07 94.81 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 0.61 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.01 1n4p n SER 98 N -3.21 0.00 -1.68 0.19 3.41 -1.26 -1.44 113.62 109.63 1n4p n SER 98 Ca 0.02 -0.80 -0.04 0.00 -0.26 0.00 0.00 58.87 57.80 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 -0.42 4.28 0.12 4.04 3.41 -1.26 -4.68 113.62 119.10 1n4p n SER 99 Ca 0.00 -3.28 0.06 0.00 -0.26 0.00 0.00 58.87 55.39 1n4p n SER 99 Cb 0.00 -0.70 0.35 0.00 -0.26 0.00 0.00 64.21 63.60 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 -0.40 0.43 0.60 7.33 4.11 -1.26 -1.57 117.16 126.39 1n4p n TYR 100 Ca 0.37 0.22 0.13 0.00 -0.00 0.00 0.00 57.90 58.62 1n4p n TYR 100 Cb 1.26 -0.77 0.34 0.00 -0.00 0.00 0.00 39.34 40.17 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 -1.95 0.81 0.00 -3.48 4.77 -1.26 -4.93 117.00 110.96 1n4p n LEU 101 Ca -0.01 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1n4p n LEU 101 Cb 0.14 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1n4p n LEU 101 CO 0.06 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 1n4p n GLY 102 N 1.31 0.71 3.74 -0.72 0.00 -0.61 -5.03 105.19 104.58 1n4p n GLY 102 Ca 0.05 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 3.23 0.30 -0.61 1.01 -1.26 -4.94 121.20 116.93 1n4p s ILE 103 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 60.65 61.36 1n4p s ILE 103 Cb 0.00 -3.64 -0.13 0.00 0.01 0.00 0.00 42.46 38.70 1n4p s ILE 103 CO 0.00 0.15 1.35 -0.81 0.00 0.00 0.00 174.94 175.63 1n4p n PRO 104 N 2.69 2.11 -1.63 2.79 -0.04 -1.26 -4.87 135.00 134.79 1n4p n PRO 104 Ca 0.06 0.75 -0.49 0.00 -0.04 0.00 0.00 63.50 63.77 1n4p n PRO 104 Cb 0.43 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.47 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 1.10 1.90 -3.18 0.54 7.35 -1.26 -4.96 117.46 118.94 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 0.90 -1.56 -0.44 -2.13 2.47 -1.26 -5.06 114.94 107.85 1n4p s ASN 106 Ca 0.83 -0.37 -0.11 0.00 0.42 0.00 0.00 52.86 53.63 1n4p s ASN 106 Cb -0.83 1.98 -0.11 0.00 -1.45 0.00 0.00 41.25 40.85 1n4p s ASN 106 CO 0.44 -0.22 1.62 -0.81 -3.72 0.00 0.00 177.10 174.41 1n4p n PRO 107 N 4.83 0.95 -4.01 0.43 -0.04 -1.26 -4.12 135.00 131.78 1n4p n PRO 107 Ca 0.08 -1.13 -0.27 0.00 -0.04 0.00 0.00 63.50 62.14 1n4p n PRO 107 Cb 0.56 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 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 5.82 -0.76 0.00 3.54 7.64 -1.09 -4.74 113.62 124.04 1n4p n SER 108 Ca 0.31 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1n4p n SER 108 Cb 0.18 -2.96 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 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 -4.41 0.00 -0.85 1.43 5.02 -1.26 -5.03 118.16 113.06 1n4p n LYS 109 Ca -0.25 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.75 1n4p n LYS 109 Cb 0.66 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 -0.80 -0.52 0.00 0.00 177.40 176.08 1n4p s ASN 110 N -0.97 1.33 1.21 4.39 -0.87 -1.26 -5.02 114.94 113.75 1n4p s ASN 110 Ca 0.00 1.17 -0.19 0.00 -1.57 0.00 0.00 52.86 52.27 1n4p s ASN 110 Cb 0.00 -1.81 0.28 0.00 -0.02 0.00 0.00 41.25 39.71 1n4p s ASN 110 CO 0.00 -3.94 1.06 -0.81 -2.57 0.00 0.00 177.10 170.85 1n4p n PRO 111 N -4.71 -2.86 -2.41 -0.60 -0.04 -1.26 -4.98 135.00 118.15 1n4p n PRO 111 Ca 0.06 -1.69 -0.40 0.00 -0.04 0.00 0.00 63.50 61.42 1n4p n PRO 111 Cb 0.57 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 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 -4.51 3.03 -0.45 0.55 0.00 -1.04 -5.01 107.32 99.90 1n4p s GLY 112 Ca 0.68 0.96 -0.14 0.00 0.00 0.00 0.00 44.72 46.22 1n4p s GLY 112 CO 0.52 1.60 0.34 -0.51 0.00 0.00 0.00 173.10 175.05 1n4p s THR 113 N -1.08 5.00 0.16 0.90 -4.23 -1.26 -4.39 115.64 110.74 1n4p s THR 113 Ca 0.46 -1.06 -0.29 0.00 -1.18 0.00 0.00 61.69 59.61 1n4p s THR 113 Cb -0.33 -3.96 -0.17 0.00 1.34 0.00 0.00 72.50 69.38 1n4p s THR 113 CO 0.43 -0.51 0.60 0.00 -0.54 0.00 0.00 174.62 174.60 1n4p n ALA 114 N 5.13 -2.97 -3.66 3.99 0.00 -1.26 -5.00 120.51 116.74 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 0.44 -1.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.82 -1.03 0.41 0.00 5.04 -1.26 -5.06 115.29 112.56 1n4p s HIS 115 Ca 0.67 1.95 0.23 0.00 -1.54 0.00 0.00 55.06 56.37 1n4p s HIS 115 Cb -0.97 0.57 1.24 0.00 0.04 0.00 0.00 32.58 33.46 1n4p s HIS 115 CO 0.55 -0.53 1.70 -1.35 -2.34 0.00 0.00 174.74 172.77 1n4p h PRO 116 N 7.53 0.25 0.00 2.88 0.11 -2.05 -2.87 132.00 137.85 1n4p h PRO 116 Ca -0.25 -0.01 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 32.22 1n4p h PRO 116 CO 0.16 0.16 -0.03 0.66 -0.21 0.00 0.00 178.00 178.74 1n4p n TYR 117 N -4.70 0.00 -3.16 0.65 4.01 -1.26 -5.02 117.16 107.68 1n4p n TYR 117 Ca 0.31 -0.69 -0.39 0.00 -0.16 0.00 0.00 57.90 56.97 1n4p n TYR 117 Cb 1.12 -0.10 -0.06 0.00 -0.31 0.00 0.00 39.34 40.00 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 -1.87 6.76 0.22 7.72 2.15 -1.09 -5.03 116.67 125.53 1n4p s ASP 118 Ca 0.16 0.91 -0.23 0.00 0.43 0.00 0.00 52.55 53.82 1n4p s ASP 118 Cb 0.14 -2.34 0.04 0.00 -0.30 0.00 0.00 42.92 40.45 1n4p s ASP 118 CO 0.01 -0.15 0.81 -0.94 -0.17 0.00 0.00 175.17 174.73 1n4p s SER 119 N 0.94 -0.25 0.79 -0.34 1.04 -1.26 -4.91 113.70 109.70 1n4p s SER 119 Ca 0.30 -0.48 -0.09 0.00 0.48 0.00 0.00 55.95 56.16 1n4p s SER 119 Cb -0.16 0.62 0.10 0.00 0.10 0.00 0.00 66.02 66.68 1n4p s SER 119 CO 0.12 -1.13 1.12 -0.83 0.98 0.00 0.00 173.24 173.50 1n4p s GLY 120 N -2.90 1.69 -0.09 7.32 0.00 -0.55 -4.62 107.32 108.16 1n4p s GLY 120 Ca 0.11 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.84 1n4p s GLY 120 CO 0.03 -0.46 -0.05 -1.58 0.00 0.00 0.00 173.10 171.04 1n4p s HIS 121 N -3.45 1.17 0.33 1.90 5.04 -0.22 -4.57 115.29 115.49 1n4p s HIS 121 Ca 0.64 -0.50 0.12 0.00 -1.54 0.00 0.00 55.06 53.78 1n4p s HIS 121 Cb -0.09 -1.04 0.98 0.00 0.04 0.00 0.00 32.58 32.48 1n4p s HIS 121 CO 0.47 -0.41 1.69 0.97 -2.34 0.00 0.00 174.74 175.13 1n4p h ILE 122 N 6.20 0.42 0.00 0.89 2.10 -1.08 0.40 117.51 126.43 1n4p h ILE 122 Ca -0.28 -0.15 -0.07 0.00 1.08 0.00 0.00 64.86 65.44 1n4p h ILE 122 Cb 1.14 -0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 36.78 1n4p h ILE 122 CO 0.38 0.08 -0.33 0.00 -1.08 0.00 0.00 178.15 177.20 1n4p h ALA 123 N 1.79 1.02 0.15 0.18 0.00 -1.94 -1.84 119.26 118.62 1n4p h ALA 123 Ca 0.69 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.99 1n4p h ALA 123 Cb 1.45 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1n4p h ALA 123 CO -0.54 0.41 -1.51 0.52 0.00 0.00 0.00 179.25 178.13 1n4p h MET 124 N 0.00 0.33 -0.62 0.00 2.86 -0.59 -1.99 114.93 114.92 1n4p h MET 124 Ca -0.00 -0.56 -0.02 0.00 -2.06 0.00 0.00 59.70 57.06 1n4p h MET 124 Cb 0.84 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 1n4p h MET 124 CO 0.04 1.22 0.32 1.15 1.06 0.00 0.00 176.91 180.71 1n4p h THR 125 N 0.09 1.20 0.79 2.22 2.02 -0.75 0.48 112.91 118.96 1n4p h THR 125 Ca -0.24 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 1n4p h THR 125 Cb 2.05 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1n4p h THR 125 CO 0.19 0.23 -0.38 0.22 0.37 0.00 0.00 175.52 176.15 1n4p h TYR 126 N 0.84 -0.98 -0.02 3.16 3.20 -1.39 -1.69 116.97 120.09 1n4p h TYR 126 Ca 0.22 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 1n4p h TYR 126 Cb 0.07 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1n4p h TYR 126 CO -0.01 -0.59 -0.18 1.79 -1.64 0.00 0.00 178.16 177.53 1n4p h THR 127 N -1.19 1.14 0.62 1.81 1.35 -1.29 -1.19 112.91 114.17 1n4p h THR 127 Ca -0.11 -0.66 -0.03 0.00 -0.55 0.00 0.00 66.41 65.06 1n4p h THR 127 Cb 0.82 1.32 0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1n4p h THR 127 CO 0.18 0.19 -0.30 1.23 -0.25 0.00 0.00 175.52 176.57 1n4p h GLY 128 N 0.59 -0.87 0.80 5.82 0.00 0.05 0.18 103.07 109.64 1n4p h GLY 128 Ca 0.01 0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.70 1n4p h GLY 128 CO 0.02 -0.32 0.35 1.41 0.00 0.00 0.00 176.54 178.01 1n4p h LEU 129 N -0.98 0.56 -0.66 3.11 3.38 -1.19 -0.95 115.31 118.58 1n4p h LEU 129 Ca -0.08 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1n4p h LEU 129 Cb 0.68 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1n4p h LEU 129 CO 0.14 0.38 0.37 -1.28 0.09 0.00 0.00 178.44 178.14 1n4p h SER 130 N 0.68 0.55 -0.43 -0.43 0.87 -1.13 -1.61 113.55 112.05 1n4p h SER 130 Ca 0.25 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1n4p h SER 130 Cb 0.08 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1n4p h SER 130 CO -0.13 0.36 0.11 0.00 -0.53 0.00 0.00 176.83 176.64 1n4p h LEU 132 N 0.56 0.04 -0.64 0.00 3.38 -0.69 -0.39 115.31 117.57 1n4p h LEU 132 Ca 0.14 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1n4p h LEU 132 Cb 0.30 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1n4p h LEU 132 CO -0.00 0.06 0.39 0.40 0.09 0.00 0.00 178.44 179.37 1n4p h ILE 133 N 0.21 1.18 -0.89 1.22 2.04 -1.17 -1.76 117.51 118.35 1n4p h ILE 133 Ca 0.17 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1n4p h ILE 133 Cb 0.19 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1n4p h ILE 133 CO -0.22 0.19 0.57 0.40 0.00 0.00 0.00 178.15 179.09 1n4p h ILE 134 N 0.86 1.23 0.00 -0.67 2.04 -0.73 -1.85 117.51 118.39 1n4p h ILE 134 Ca 0.23 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1n4p h ILE 134 Cb -0.03 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 35.99 1n4p h ILE 134 CO -0.04 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.52 1n4p n LEU 135 N -4.39 0.00 0.00 1.44 4.77 -0.21 -4.90 117.00 113.71 1n4p n LEU 135 Ca 0.10 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1n4p n LEU 135 Cb 0.03 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1n4p n LEU 135 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1n4p n GLY 136 N 0.94 0.43 3.69 -0.72 0.00 -0.69 -4.95 105.19 103.88 1n4p n GLY 136 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.49 3.33 0.00 1.61 -1.08 -0.70 -4.94 116.67 112.40 1n4p s ASP 137 Ca 0.00 2.27 0.19 0.00 -0.52 0.00 0.00 52.55 54.49 1n4p s ASP 137 Cb 0.00 -2.58 0.38 0.00 -1.46 0.00 0.00 42.92 39.26 1n4p s ASP 137 CO 0.00 -2.83 1.31 -0.90 0.52 0.00 0.00 175.17 173.27 1n4p n ASP 138 N -3.71 3.22 -0.67 -0.34 5.68 -1.26 -4.51 116.55 114.96 1n4p n ASP 138 Ca 0.13 -1.92 -0.09 0.00 -0.50 0.00 0.00 54.79 52.41 1n4p n ASP 138 Cb 0.51 -0.24 -0.04 0.00 -1.14 0.00 0.00 41.12 40.21 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 1.20 -0.36 0.21 -2.12 4.32 -1.26 -4.88 117.00 114.11 1n4p n LEU 139 Ca 0.17 0.22 0.05 0.00 -0.02 0.00 0.00 56.01 56.43 1n4p n LEU 139 Cb 0.53 -2.04 0.47 0.00 -1.62 0.00 0.00 43.42 40.76 1n4p n LEU 139 CO 0.13 -0.73 0.83 0.77 -1.22 0.00 0.00 177.39 177.17 1n4p h SER 140 N 0.00 0.00 -0.09 -1.43 4.64 -2.02 -2.12 113.55 112.53 1n4p h SER 140 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1n4p h SER 140 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1n4p h SER 140 CO 0.26 0.26 0.00 0.54 -0.87 0.00 0.00 176.83 177.03 1n4p n ARG 141 N -4.07 1.47 -3.16 4.77 1.74 -1.26 -4.81 116.66 111.34 1n4p n ARG 141 Ca -0.02 -0.71 -0.40 0.00 -0.77 0.00 0.00 57.85 55.95 1n4p n ARG 141 Cb 0.33 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.89 5.05 -1.16 1.55 1.01 -0.80 -4.97 120.40 119.20 1n4p s VAL 142 Ca 0.33 1.12 -0.21 0.00 0.00 0.00 0.00 61.98 63.23 1n4p s VAL 142 Cb 0.17 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1n4p s VAL 142 CO 0.26 0.14 1.64 -0.62 0.00 0.00 0.00 175.10 176.52 1n4p s ASP 143 N 1.15 6.53 0.21 3.32 -1.08 -1.26 -4.81 116.67 120.73 1n4p s ASP 143 Ca 0.28 -1.91 -0.10 0.00 -0.52 0.00 0.00 52.55 50.29 1n4p s ASP 143 Cb -0.16 -2.58 0.29 0.00 -1.46 0.00 0.00 42.92 39.02 1n4p s ASP 143 CO 0.10 -1.48 1.69 0.11 0.52 0.00 0.00 175.17 176.11 1n4p h LYS 144 N 8.78 0.18 -0.22 4.34 1.57 -1.93 -1.27 116.57 128.02 1n4p h LYS 144 Ca 0.32 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1n4p h LYS 144 Cb 0.94 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1n4p h LYS 144 CO 1.42 0.12 -0.04 0.93 -0.57 0.00 0.00 179.45 181.31 1n4p h GLU 145 N 0.19 0.33 -0.25 3.15 4.39 -1.99 -1.43 114.58 118.96 1n4p h GLU 145 Ca 0.32 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.86 1n4p h GLU 145 Cb 0.50 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1n4p h GLU 145 CO -0.46 0.40 -0.21 0.00 -1.16 0.00 0.00 179.01 177.58 1n4p h ALA 146 N 1.64 0.36 -0.43 3.43 0.00 -1.64 -0.75 119.26 121.88 1n4p h ALA 146 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1n4p h ALA 146 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1n4p h ALA 146 CO 0.01 0.31 0.27 0.00 0.00 0.00 0.00 179.25 179.85 1n4p h LEU 148 N 0.57 0.68 -0.46 0.00 3.38 -1.21 0.22 115.31 118.49 1n4p h LEU 148 Ca 0.15 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1n4p h LEU 148 Cb -0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1n4p h LEU 148 CO -0.03 0.68 0.05 0.00 0.09 0.00 0.00 178.44 179.22 1n4p h ALA 149 N 1.41 0.62 -0.74 1.53 0.00 -0.49 -1.27 119.26 120.32 1n4p h ALA 149 Ca 0.16 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1n4p h ALA 149 Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1n4p h ALA 149 CO -0.00 0.36 0.22 0.78 0.00 0.00 0.00 179.25 180.61 1n4p h GLY 150 N 0.64 1.24 1.01 0.00 0.00 -0.05 -2.66 103.07 103.25 1n4p h GLY 150 Ca 0.14 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1n4p h GLY 150 CO 0.01 0.69 -0.23 -2.00 0.00 0.00 0.00 176.54 175.01 1n4p h LEU 151 N 1.10 -0.55 -0.95 3.11 6.46 -0.27 -2.70 115.31 121.52 1n4p h LEU 151 Ca 0.24 0.02 0.20 0.00 -0.12 0.00 0.00 57.88 58.22 1n4p h LEU 151 Cb 0.32 0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 40.28 1n4p h LEU 151 CO -0.01 -0.39 0.52 0.03 -0.62 0.00 0.00 178.44 177.97 1n4p h ARG 152 N -0.65 0.58 0.00 1.25 3.08 -0.91 0.25 114.38 117.98 1n4p h ARG 152 Ca -0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1n4p h ARG 152 Cb 0.50 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1n4p h ARG 152 CO 0.11 0.38 -0.02 0.00 -1.07 0.00 0.00 179.97 179.36 1n4p h ALA 153 N 1.67 1.15 0.00 0.04 0.00 -1.15 -2.48 119.26 118.49 1n4p h ALA 153 Ca 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1n4p h ALA 153 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1n4p h ALA 153 CO -0.44 0.03 -0.40 -0.07 0.00 0.00 0.00 179.25 178.37 1n4p h LEU 154 N 0.00 0.00 -9.54 0.00 3.38 -0.34 -3.47 115.31 105.34 1n4p h LEU 154 Ca -0.00 -0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.36 1n4p h LEU 154 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1n4p h LEU 154 CO 0.00 0.04 0.49 -1.58 0.09 0.00 0.00 178.44 177.49 1n4p s GLN 155 N -3.19 4.52 0.64 1.13 0.74 -0.94 -1.56 119.66 120.99 1n4p s GLN 155 Ca 0.06 1.68 0.00 0.00 0.05 0.00 0.00 55.36 57.16 1n4p s GLN 155 Cb 0.11 -3.34 0.08 0.00 1.10 0.00 0.00 33.01 30.96 1n4p s GLN 155 CO 0.69 -0.09 0.89 -0.51 -0.55 0.00 0.00 175.29 175.71 1n4p s LEU 156 N 0.51 3.11 0.22 3.68 1.43 0.55 -4.97 118.68 123.21 1n4p s LEU 156 Ca 0.54 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 53.38 1n4p s LEU 156 Cb -0.28 -2.43 0.29 0.00 0.03 0.00 0.00 46.19 43.80 1n4p s LEU 156 CO 0.31 -1.50 1.81 -0.08 0.23 0.00 0.00 176.35 177.12 1n4p h GLU 157 N -0.23 0.69 0.00 1.70 4.57 -1.96 -1.23 114.58 118.12 1n4p h GLU 157 Ca -0.39 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1n4p h GLU 157 Cb 1.28 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1n4p h GLU 157 CO 0.47 0.46 0.00 -0.40 -1.18 0.00 0.00 179.01 178.35 1n4p n ASP 158 N -4.78 0.00 0.00 1.04 3.85 -1.26 -4.87 116.55 110.53 1n4p n ASP 158 Ca 0.10 -0.57 0.00 0.00 -0.71 0.00 0.00 54.79 53.61 1n4p n ASP 158 Cb 0.21 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 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 0.23 2.67 3.94 6.12 0.00 -0.46 -4.08 105.19 113.61 1n4p n GLY 159 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.29 3.02 0.20 1.61 1.04 -1.26 -3.97 113.70 113.04 1n4p s SER 160 Ca 0.00 0.10 0.08 0.00 0.48 0.00 0.00 55.95 56.61 1n4p s SER 160 Cb 0.00 -0.10 -0.05 0.00 0.10 0.00 0.00 66.02 65.98 1n4p s SER 160 CO 0.00 -2.78 -0.16 -0.36 0.98 0.00 0.00 173.24 170.92 1n4p s PHE 161 N -3.86 1.77 0.41 5.02 0.40 -1.26 -0.33 117.98 120.13 1n4p s PHE 161 Ca 0.75 -0.53 0.08 0.00 -0.60 0.00 0.00 56.93 56.63 1n4p s PHE 161 Cb -0.03 -0.83 -0.00 0.00 0.51 0.00 0.00 43.02 42.67 1n4p s PHE 161 CO 0.53 0.37 0.48 0.00 0.70 0.00 0.00 175.22 177.30 1n4p n ALA 163 N -1.70 1.20 -2.78 0.00 0.00 -1.26 -4.74 120.51 111.23 1n4p n ALA 163 Ca 0.06 -0.72 -0.16 0.00 0.00 0.00 0.00 53.44 52.62 1n4p n ALA 163 Cb 0.60 -0.71 -0.13 0.00 0.00 0.00 0.00 19.45 19.21 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 0.68 0.57 0.00 -7.23 -1.26 -0.50 120.40 110.08 1n4p s VAL 164 Ca -0.15 -0.88 0.25 0.00 -1.81 0.00 0.00 61.98 59.39 1n4p s VAL 164 Cb 0.07 -0.67 0.33 0.00 0.56 0.00 0.00 36.38 36.68 1n4p s VAL 164 CO 0.79 -0.17 2.18 1.55 -0.31 0.00 0.00 175.10 179.14 1n4p h PRO 165 N 4.93 0.00 0.00 4.82 0.13 -1.86 -0.29 132.00 139.72 1n4p h PRO 165 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1n4p h PRO 165 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1n4p h PRO 165 CO 0.43 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.13 1n4p h GLU 166 N 0.00 0.00 0.00 0.86 3.07 -1.96 -3.48 114.58 113.07 1n4p h GLU 166 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1n4p h GLU 166 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1n4p h GLU 166 CO -0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1n4p n GLY 167 N -0.42 2.70 0.48 -3.84 0.00 -0.12 -5.17 105.19 98.82 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 -0.19 -4.79 1.61 3.41 -1.26 -4.74 113.62 107.66 1n4p n SER 168 Ca 0.00 -1.08 -0.32 0.00 -0.26 0.00 0.00 58.87 57.20 1n4p n SER 168 Cb 0.00 0.30 0.04 0.00 -0.26 0.00 0.00 64.21 64.29 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 2.94 -0.04 4.33 1.03 -1.26 -4.86 118.70 118.83 1n4p s GLU 169 Ca 0.03 1.25 0.02 0.00 0.03 0.00 0.00 54.97 56.31 1n4p s GLU 169 Cb -0.00 -1.98 0.01 0.00 -0.80 0.00 0.00 34.13 31.36 1n4p s GLU 169 CO 0.00 -1.12 -0.10 0.54 -1.33 0.00 0.00 175.26 173.25 1n4p s ASN 170 N -2.87 1.42 0.21 0.83 4.22 -1.26 -4.12 114.94 113.37 1n4p s ASN 170 Ca 0.64 -0.22 -0.20 0.00 -2.14 0.00 0.00 52.86 50.93 1n4p s ASN 170 Cb -0.18 -0.48 0.07 0.00 1.28 0.00 0.00 41.25 41.94 1n4p s ASN 170 CO 0.43 0.05 0.99 -0.90 -2.04 0.00 0.00 177.10 175.63 1n4p n ASP 171 N 3.48 -1.80 -0.31 3.54 5.68 -1.21 -4.95 116.55 120.98 1n4p n ASP 171 Ca -0.20 -2.00 0.21 0.00 -0.50 0.00 0.00 54.79 52.29 1n4p n ASP 171 Cb 0.53 2.95 0.49 0.00 -1.14 0.00 0.00 41.12 43.94 1n4p n ASP 171 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1n4p h MET 172 N 0.00 0.43 -0.62 0.11 1.85 -1.76 -1.96 114.93 112.98 1n4p h MET 172 Ca -0.28 -0.03 0.11 0.00 -0.61 0.00 0.00 59.70 58.90 1n4p h MET 172 Cb 1.19 -0.10 -0.08 0.00 0.43 0.00 0.00 31.60 33.04 1n4p h MET 172 CO 0.37 0.28 0.19 0.00 -0.40 0.00 0.00 176.91 177.35 1n4p h ARG 173 N 0.44 0.33 0.00 0.39 3.08 -1.93 -0.82 114.38 115.86 1n4p h ARG 173 Ca 0.56 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.58 1n4p h ARG 173 Cb 1.35 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 1n4p h ARG 173 CO -0.27 0.22 -0.06 0.74 -1.07 0.00 0.00 179.97 179.53 1n4p h PHE 174 N 0.34 0.00 -0.43 3.04 0.05 -1.65 -2.28 116.94 116.00 1n4p h PHE 174 Ca 0.33 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 61.97 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 -0.21 0.06 -0.29 0.28 -0.18 0.00 0.00 178.31 177.97 1n4p h VAL 175 N 0.00 1.27 -0.57 -0.55 2.07 -1.13 -0.70 116.25 116.65 1n4p h VAL 175 Ca -0.00 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 65.99 1n4p h VAL 175 Cb 0.78 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1n4p h VAL 175 CO 0.01 0.49 0.03 0.22 0.02 0.00 0.00 177.57 178.34 1n4p h TYR 176 N 0.79 1.06 -0.33 1.57 3.20 -1.04 -1.15 116.97 121.06 1n4p h TYR 176 Ca 0.09 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1n4p h TYR 176 Cb 0.86 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1n4p h TYR 176 CO 0.05 0.94 0.20 0.00 -1.64 0.00 0.00 178.16 177.71 1n4p h ALA 178 N 1.07 0.68 -0.44 0.00 0.00 -0.97 -1.13 119.26 118.47 1n4p h ALA 178 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1n4p h ALA 178 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1n4p h ALA 178 CO -0.02 0.08 0.27 0.77 0.00 0.00 0.00 179.25 180.35 1n4p h SER 179 N 0.68 0.53 -0.77 0.00 0.02 -0.80 -1.37 113.55 111.84 1n4p h SER 179 Ca 0.21 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1n4p h SER 179 Cb -0.03 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1n4p h SER 179 CO -0.07 0.42 0.32 0.00 -1.14 0.00 0.00 176.83 176.36 1n4p h ILE 181 N 1.13 1.10 -0.90 0.00 2.04 -0.89 0.27 117.51 120.26 1n4p h ILE 181 Ca 0.26 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1n4p h ILE 181 Cb 0.20 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1n4p h ILE 181 CO -0.02 0.11 0.60 0.00 0.00 0.00 0.00 178.15 178.84 1n4p h TYR 183 N 1.16 0.35 -0.44 0.00 3.20 -0.89 0.49 116.97 120.84 1n4p h TYR 183 Ca 0.35 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.10 1n4p h TYR 183 Cb -0.02 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1n4p h TYR 183 CO -0.00 0.51 0.02 0.52 -1.64 0.00 0.00 178.16 177.56 1n4p h MET 184 N 0.09 0.76 0.00 1.82 2.86 -0.53 -1.36 114.93 118.57 1n4p h MET 184 Ca 0.05 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1n4p h MET 184 Cb 0.36 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1n4p h MET 184 CO 0.01 0.82 0.00 1.28 1.06 0.00 0.00 176.91 180.08 1n4p n LEU 185 N -4.42 0.00 -4.19 1.22 4.77 0.04 -4.89 117.00 109.54 1n4p n LEU 185 Ca -0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.68 1n4p n LEU 185 Cb 0.29 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1n4p n LEU 185 CO 0.41 0.00 -0.36 -3.20 -1.33 0.00 0.00 177.39 172.91 1n4p n ASN 186 N -0.81 0.26 -3.44 -1.43 5.15 -0.03 -4.94 115.26 110.03 1n4p n ASN 186 Ca 0.14 -1.17 -0.00 0.00 -0.60 0.00 0.00 54.58 52.95 1n4p n ASN 186 Cb 0.07 -2.18 -0.04 0.00 -0.53 0.00 0.00 39.78 37.10 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 -4.31 -1.05 -0.12 1.20 3.84 -0.13 -5.02 114.94 109.35 1n4p s ASN 187 Ca 0.05 1.15 0.09 0.00 0.21 0.00 0.00 52.86 54.36 1n4p s ASN 187 Cb -0.03 2.07 0.47 0.00 -0.55 0.00 0.00 41.25 43.22 1n4p s ASN 187 CO 0.96 -0.24 1.25 0.79 -2.79 0.00 0.00 177.10 177.06 1n4p n TRP 188 N 5.43 1.15 0.72 0.43 7.02 -1.26 -3.99 117.44 126.94 1n4p n TRP 188 Ca -0.07 -0.41 0.09 0.00 -1.02 0.00 0.00 57.50 56.10 1n4p n TRP 188 Cb 0.50 -0.30 0.43 0.00 -2.42 0.00 0.00 31.31 29.52 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 0.42 0.00 0.05 -0.99 3.41 -1.26 -2.66 113.62 112.59 1n4p n SER 189 Ca 0.16 0.41 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 1n4p n SER 189 Cb 0.76 -0.46 0.39 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.49 -1.12 3.32 5.00 0.00 -1.26 -4.82 105.19 106.80 1n4p n GLY 190 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.12 1.07 -0.88 1.61 0.23 -1.09 -2.46 119.30 114.66 1n4p s MET 191 Ca 0.06 -0.90 -0.17 0.00 -1.03 0.00 0.00 55.69 53.66 1n4p s MET 191 Cb 0.10 0.42 0.17 0.00 -1.53 0.00 0.00 34.83 33.99 1n4p s MET 191 CO 0.32 -0.40 0.97 0.34 -2.03 0.00 0.00 175.02 174.22 1n4p s ASP 192 N -2.86 6.69 0.29 -1.18 3.68 -1.26 -4.91 116.67 117.11 1n4p s ASP 192 Ca 0.07 -2.32 0.03 0.00 2.13 0.00 0.00 52.55 52.46 1n4p s ASP 192 Cb 0.03 -2.32 0.64 0.00 -1.45 0.00 0.00 42.92 39.82 1n4p s ASP 192 CO -0.08 -0.85 1.79 -0.03 0.13 0.00 0.00 175.17 176.14 1n4p h MET 193 N 8.37 0.79 -0.46 4.34 1.85 -1.98 -1.61 114.93 126.23 1n4p h MET 193 Ca 0.13 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 59.20 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 0.95 0.52 0.26 -0.22 -0.40 0.00 0.00 176.91 178.02 1n4p h LYS 194 N 0.81 0.50 -0.18 0.39 3.64 -1.99 0.26 116.57 119.99 1n4p h LYS 194 Ca 0.53 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.76 1n4p h LYS 194 Cb 0.72 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1n4p h LYS 194 CO -0.34 0.33 -0.41 0.87 -2.27 0.00 0.00 179.45 177.62 1n4p h LYS 195 N 0.51 0.43 -0.23 1.90 1.57 -1.70 -1.91 116.57 117.14 1n4p h LYS 195 Ca 0.19 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1n4p h LYS 195 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1n4p h LYS 195 CO -0.11 0.77 -0.00 0.00 -0.57 0.00 0.00 179.45 179.54 1n4p h ALA 196 N 1.20 0.31 -0.90 3.86 0.00 -0.89 -1.67 119.26 121.17 1n4p h ALA 196 Ca 0.03 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1n4p h ALA 196 Cb 0.88 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1n4p h ALA 196 CO 0.07 0.04 0.57 0.82 0.00 0.00 0.00 179.25 180.75 1n4p h ILE 197 N 0.17 1.10 -0.78 0.00 2.04 -0.86 -0.80 117.51 118.37 1n4p h ILE 197 Ca 0.06 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1n4p h ILE 197 Cb 0.41 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1n4p h ILE 197 CO 0.01 0.20 0.51 -1.28 0.00 0.00 0.00 178.15 177.59 1n4p h SER 198 N 1.07 0.89 -0.56 1.72 0.87 -1.05 -0.78 113.55 115.70 1n4p h SER 198 Ca 0.38 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 1n4p h SER 198 Cb 0.10 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1n4p h SER 198 CO -0.15 0.64 0.25 0.22 -0.53 0.00 0.00 176.83 177.27 1n4p h TYR 199 N 1.05 0.83 -0.63 2.24 3.20 -0.29 -1.50 116.97 121.87 1n4p h TYR 199 Ca 0.29 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1n4p h TYR 199 Cb -0.11 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.87 1n4p h TYR 199 CO -0.02 0.65 0.32 0.82 -1.64 0.00 0.00 178.16 178.29 1n4p h ILE 200 N 0.77 1.21 -0.23 1.81 2.04 -0.68 -2.53 117.51 119.90 1n4p h ILE 200 Ca 0.19 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1n4p h ILE 200 Cb 0.15 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1n4p h ILE 200 CO -0.02 0.24 0.09 0.03 0.00 0.00 0.00 178.15 178.49 1n4p h ARG 201 N 0.86 0.34 0.00 2.37 3.08 -0.91 -2.77 114.38 117.36 1n4p h ARG 201 Ca 0.22 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1n4p h ARG 201 Cb 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1n4p h ARG 201 CO -0.03 0.39 0.00 0.54 -1.07 0.00 0.00 179.97 179.80 1n4p n ARG 202 N -4.80 0.01 0.00 0.04 1.74 -0.59 -1.67 116.66 111.39 1n4p n ARG 202 Ca -0.03 0.35 0.13 0.00 -0.77 0.00 0.00 57.85 57.52 1n4p n ARG 202 Cb 0.12 -1.50 0.35 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.48 0.89 -4.69 0.55 3.41 -0.97 -3.88 113.62 107.45 1n4p n SER 203 Ca 0.02 -0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 57.48 1n4p n SER 203 Cb 0.09 0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.63 4.25 0.78 4.33 -2.45 -0.67 -1.39 119.30 121.52 1n4p s MET 204 Ca 0.21 2.10 -0.10 0.00 -1.25 0.00 0.00 55.69 56.65 1n4p s MET 204 Cb 0.19 -3.60 0.09 0.00 1.25 0.00 0.00 34.83 32.76 1n4p s MET 204 CO 0.57 -0.64 1.12 0.45 1.05 0.00 0.00 175.02 177.56 1n4p s SER 205 N 2.11 4.45 0.53 1.11 0.15 -0.16 -4.88 113.70 117.00 1n4p s SER 205 Ca 0.67 0.52 0.31 0.00 0.70 0.00 0.00 55.95 58.16 1n4p s SER 205 Cb -0.34 -1.02 1.43 0.00 -1.71 0.00 0.00 66.02 64.38 1n4p s SER 205 CO 0.28 -1.88 2.02 0.10 1.20 0.00 0.00 173.24 174.97 1n4p h TYR 206 N -0.92 0.00 -0.16 3.44 -0.00 -1.94 -0.94 116.97 116.45 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 0.11 0.09 0.00 -0.40 -0.00 0.00 0.00 178.16 177.96 1n4p n ASP 207 N -3.32 1.56 0.00 0.10 3.85 -1.26 -4.94 116.55 112.54 1n4p n ASP 207 Ca -0.01 -1.70 0.00 0.00 -0.71 0.00 0.00 54.79 52.37 1n4p n ASP 207 Cb 0.28 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 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 0.26 -0.14 -4.60 -1.12 3.02 -0.36 -4.79 115.26 107.53 1n4p n ASN 208 Ca 0.16 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.47 1n4p n ASN 208 Cb 0.31 -0.02 0.12 0.00 -0.61 0.00 0.00 39.78 39.58 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 -1.94 1.75 -0.10 7.41 0.00 -1.26 -4.15 107.32 109.03 1n4p s GLY 209 Ca 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 42.91 1n4p s GLY 209 CO 0.00 -1.17 -0.01 1.08 0.00 0.00 0.00 173.10 173.01 1n4p s LEU 210 N -5.23 3.52 0.00 0.66 1.02 -1.26 -0.99 118.68 116.40 1n4p s LEU 210 Ca 0.68 0.09 0.06 0.00 0.02 0.00 0.00 54.13 54.99 1n4p s LEU 210 Cb -0.04 -1.81 0.06 0.00 0.02 0.00 0.00 46.19 44.42 1n4p s LEU 210 CO 0.46 0.34 0.52 0.00 0.02 0.00 0.00 176.35 177.68 1n4p n ALA 211 N 2.42 0.91 0.22 4.21 0.00 -0.49 -0.89 120.51 126.89 1n4p n ALA 211 Ca -0.18 -1.91 0.08 0.00 0.00 0.00 0.00 53.44 51.42 1n4p n ALA 211 Cb 0.53 0.67 0.53 0.00 0.00 0.00 0.00 19.45 21.18 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 -2.13 0.00 1.08 -1.88 -3.45 115.11 108.74 1n4p h GLN 212 Ca -0.28 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.14 1n4p h GLN 212 Cb 1.12 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.46 1n4p h GLN 212 CO 0.42 0.24 0.57 0.20 -0.95 0.00 0.00 178.83 179.30 1n4p s GLY 213 N -4.25 -0.27 0.22 3.46 0.00 -1.26 -2.26 107.32 102.95 1n4p s GLY 213 Ca -0.02 0.26 -0.31 0.00 0.00 0.00 0.00 44.72 44.64 1n4p s GLY 213 CO 0.66 0.03 1.18 0.00 0.00 0.00 0.00 173.10 174.97 1n4p n ALA 214 N -0.48 -0.20 0.00 3.20 0.00 -1.25 -1.98 120.51 119.81 1n4p n ALA 214 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1n4p n ALA 214 Cb 0.61 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 1.83 2.98 3.81 0.00 0.00 -1.26 -5.01 105.19 107.54 1n4p n GLY 215 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 2.45 0.12 0.99 2.01 -0.84 -4.99 118.68 118.42 1n4p s LEU 216 Ca 0.00 1.16 -0.31 0.00 0.01 0.00 0.00 54.13 54.99 1n4p s LEU 216 Cb 0.00 -3.70 -0.08 0.00 0.01 0.00 0.00 46.19 42.42 1n4p s LEU 216 CO 0.00 -2.08 1.40 -0.70 1.01 0.00 0.00 176.35 175.98 1n4p s GLU 217 N -5.23 4.31 0.55 1.70 2.12 -1.26 -4.68 118.70 116.20 1n4p s GLU 217 Ca 0.61 2.10 -0.21 0.00 0.36 0.00 0.00 54.97 57.83 1n4p s GLU 217 Cb -0.14 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 1n4p s GLU 217 CO 0.53 -0.45 1.27 -1.54 -0.54 0.00 0.00 175.26 174.54 1n4p s SER 218 N 1.11 5.39 -0.01 -1.70 1.04 -1.26 -4.33 113.70 113.94 1n4p s SER 218 Ca 0.65 2.56 -0.07 0.00 0.48 0.00 0.00 55.95 59.57 1n4p s SER 218 Cb -0.37 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.13 1n4p s SER 218 CO 0.30 -1.47 0.14 -2.28 0.98 0.00 0.00 173.24 170.91 1n4p s HIS 219 N -1.43 0.00 0.32 5.02 2.46 -0.07 -4.82 115.29 116.77 1n4p s HIS 219 Ca 0.72 -0.03 0.01 0.00 0.47 0.00 0.00 55.06 56.23 1n4p s HIS 219 Cb -0.35 -0.03 0.56 0.00 -0.13 0.00 0.00 32.58 32.63 1n4p s HIS 219 CO 0.40 -0.25 1.94 0.78 -2.47 0.00 0.00 174.74 175.15 1n4p h GLY 220 N 4.59 1.17 0.69 1.59 0.00 -0.27 0.30 103.07 111.14 1n4p h GLY 220 Ca -0.30 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 1n4p h GLY 220 CO 0.41 0.32 0.00 -1.33 0.00 0.00 0.00 176.54 175.93 1n4p h GLY 221 N 0.98 0.00 2.00 4.60 0.00 -1.91 -1.98 103.07 106.76 1n4p h GLY 221 Ca 0.34 -0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 1n4p h GLY 221 CO -0.11 0.00 -0.45 1.48 0.00 0.00 0.00 176.54 177.46 1n4p h SER 222 N -0.31 0.00 -0.52 0.19 4.64 -1.76 -1.47 113.55 114.32 1n4p h SER 222 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1n4p h SER 222 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1n4p h SER 222 CO 0.00 0.45 0.02 0.74 -0.87 0.00 0.00 176.83 177.17 1n4p h THR 223 N 0.00 1.26 -0.18 2.95 2.02 -0.89 0.33 112.91 118.40 1n4p h THR 223 Ca -0.00 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 1n4p h THR 223 Cb 0.87 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1n4p h THR 223 CO 0.06 0.38 0.10 0.15 0.37 0.00 0.00 175.52 176.58 1n4p h PHE 224 N 0.79 0.24 -0.64 3.16 3.57 -1.00 -0.65 116.94 122.41 1n4p h PHE 224 Ca 0.15 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.70 1n4p h PHE 224 Cb 0.50 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1n4p h PHE 224 CO 0.04 0.22 0.35 0.00 -2.23 0.00 0.00 178.31 176.69 1n4p h GLY 226 N 0.66 -0.32 0.97 0.00 0.00 -0.71 -1.23 103.07 102.44 1n4p h GLY 226 Ca 0.28 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1n4p h GLY 226 CO -0.17 -0.11 0.22 -2.22 0.00 0.00 0.00 176.54 174.25 1n4p h ILE 227 N -0.62 1.16 -0.69 2.60 1.08 -0.99 -2.17 117.51 117.89 1n4p h ILE 227 Ca -0.03 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 63.98 1n4p h ILE 227 Cb 0.45 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 1n4p h ILE 227 CO 0.05 0.16 0.26 0.00 -0.69 0.00 0.00 178.15 177.93 1n4p h ALA 228 N 1.07 1.15 -0.26 1.87 0.00 -0.53 -1.06 119.26 121.51 1n4p h ALA 228 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n4p h ALA 228 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1n4p h ALA 228 CO -0.02 0.60 0.17 0.77 0.00 0.00 0.00 179.25 180.77 1n4p h SER 229 N 1.00 0.30 -0.73 0.00 0.02 -0.92 0.05 113.55 113.27 1n4p h SER 229 Ca 0.23 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1n4p h SER 229 Cb 0.22 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1n4p h SER 229 CO -0.02 0.23 0.40 -0.07 -1.14 0.00 0.00 176.83 176.23 1n4p h LEU 230 N 0.34 0.93 -0.37 5.07 3.38 -0.98 -1.03 115.31 122.65 1n4p h LEU 230 Ca 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1n4p h LEU 230 Cb -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1n4p h LEU 230 CO -0.02 0.75 -0.03 0.00 0.09 0.00 0.00 178.44 179.23 1n4p h LEU 232 N 0.49 0.45 0.00 0.00 4.07 -0.49 0.87 115.31 120.70 1n4p h LEU 232 Ca 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1n4p h LEU 232 Cb 0.51 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1n4p h LEU 232 CO 0.03 0.32 -0.15 0.24 -1.08 0.00 0.00 178.44 177.80 1n4p h MET 233 N 0.53 0.00 -3.12 1.13 2.86 -0.73 -3.48 114.93 112.13 1n4p h MET 233 Ca 0.16 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.63 1n4p h MET 233 Cb 0.01 0.00 0.06 0.00 0.06 0.00 0.00 31.60 31.73 1n4p h MET 233 CO -0.04 0.00 -0.29 0.41 1.06 0.00 0.00 176.91 178.05 1n4p n GLY 234 N 1.25 0.29 0.41 8.32 0.00 0.61 -4.96 105.19 111.13 1n4p n GLY 234 Ca 0.05 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.42 0.36 0.25 1.61 5.02 0.18 -4.89 118.16 118.27 1n4p n LYS 235 Ca -0.01 -1.47 -0.18 0.00 -2.02 0.00 0.00 58.31 54.63 1n4p n LYS 235 Cb 0.53 -0.76 -0.10 0.00 -0.02 0.00 0.00 35.03 34.68 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 0.04 -1.42 -1.14 -0.35 6.46 -1.91 -0.43 115.31 116.57 1n4p h LEU 236 Ca -0.01 0.12 0.10 0.00 -0.12 0.00 0.00 57.88 57.97 1n4p h LEU 236 Cb 1.30 0.48 -0.07 0.00 -0.73 0.00 0.00 40.66 41.65 1n4p h LEU 236 CO 0.00 -0.64 0.60 -0.33 -0.62 0.00 0.00 178.44 177.45 1n4p h GLU 237 N -0.94 0.91 -0.12 1.25 4.39 -1.90 -1.79 114.58 116.38 1n4p h GLU 237 Ca -0.05 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 1n4p h GLU 237 Cb 0.84 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1n4p h GLU 237 CO -0.12 0.61 -0.55 1.49 -1.16 0.00 0.00 179.01 179.28 1n4p h GLU 238 N 0.94 0.37 0.20 2.33 4.81 -1.82 -3.34 114.58 118.07 1n4p h GLU 238 Ca 0.43 -0.23 -0.34 0.00 -0.13 0.00 0.00 59.36 59.09 1n4p h GLU 238 Cb 0.39 0.03 0.02 0.00 0.63 0.00 0.00 28.75 29.82 1n4p h GLU 238 CO -0.19 0.82 -1.66 0.28 -0.73 0.00 0.00 179.01 177.53 1n4p h VAL 239 N 0.28 1.06 -3.65 0.32 2.07 -0.49 -3.46 116.25 112.38 1n4p h VAL 239 Ca 0.00 -2.59 -0.67 0.00 0.82 0.00 0.00 66.70 64.26 1n4p h VAL 239 Cb 1.05 2.85 -0.24 0.00 -1.52 0.00 0.00 31.29 33.42 1n4p h VAL 239 CO 0.09 0.84 -0.76 -0.36 0.02 0.00 0.00 177.57 177.41 1n4p s PHE 240 N -2.59 2.79 1.01 1.57 2.99 -0.73 -5.08 117.98 117.94 1n4p s PHE 240 Ca -0.13 -0.36 -0.13 0.00 0.00 0.00 0.00 56.93 56.31 1n4p s PHE 240 Cb 0.05 -1.75 0.19 0.00 0.00 0.00 0.00 43.02 41.52 1n4p s PHE 240 CO 0.88 0.02 1.10 -1.54 -0.00 0.00 0.00 175.22 175.68 1n4p s SER 241 N -0.22 2.58 0.24 1.36 1.04 -1.26 -4.62 113.70 112.83 1n4p s SER 241 Ca 0.01 1.12 -0.04 0.00 0.48 0.00 0.00 55.95 57.51 1n4p s SER 241 Cb -0.13 -1.76 0.27 0.00 0.10 0.00 0.00 66.02 64.50 1n4p s SER 241 CO 0.03 -3.15 1.79 -0.08 0.98 0.00 0.00 173.24 172.81 1n4p h GLU 242 N -1.91 1.00 -0.41 4.02 4.81 -1.99 0.55 114.58 120.66 1n4p h GLU 242 Ca -0.54 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 58.46 1n4p h GLU 242 Cb 1.33 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1n4p h GLU 242 CO 0.58 0.87 0.17 -0.22 -0.73 0.00 0.00 179.01 179.67 1n4p h LYS 243 N 0.96 0.61 -0.27 1.92 3.64 -1.99 -0.59 116.57 120.84 1n4p h LYS 243 Ca 0.21 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1n4p h LYS 243 Cb 0.29 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1n4p h LYS 243 CO -0.01 0.56 0.14 0.93 -2.27 0.00 0.00 179.45 178.80 1n4p h GLU 244 N 0.52 0.38 -0.25 1.90 5.08 -1.81 -2.08 114.58 118.33 1n4p h GLU 244 Ca 0.14 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1n4p h GLU 244 Cb 0.17 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1n4p h GLU 244 CO -0.01 0.36 0.07 -0.07 -1.00 0.00 0.00 179.01 178.35 1n4p h LEU 245 N 0.31 0.31 -0.70 1.33 3.38 -0.67 -0.91 115.31 118.36 1n4p h LEU 245 Ca 0.09 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1n4p h LEU 245 Cb 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1n4p h LEU 245 CO -0.01 0.31 -0.06 0.78 0.09 0.00 0.00 178.44 179.55 1n4p h ASN 246 N 0.34 0.92 -0.49 -0.43 2.35 -0.65 -0.20 115.58 117.42 1n4p h ASN 246 Ca 0.09 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.44 1n4p h ASN 246 Cb 0.12 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1n4p h ASN 246 CO -0.01 1.01 -0.19 0.03 -1.65 0.00 0.00 177.43 176.63 1n4p h ARG 247 N 0.85 1.00 -0.29 0.81 3.08 -0.65 -1.04 114.38 118.14 1n4p h ARG 247 Ca 0.15 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1n4p h ARG 247 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1n4p h ARG 247 CO 0.04 1.09 -0.01 0.82 -1.07 0.00 0.00 179.97 180.84 1n4p h ILE 248 N 0.87 1.26 -0.61 2.04 2.04 -1.01 -1.47 117.51 120.64 1n4p h ILE 248 Ca 0.12 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 65.08 1n4p h ILE 248 Cb 0.76 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 1n4p h ILE 248 CO 0.06 0.31 0.30 0.11 0.00 0.00 0.00 178.15 178.93 1n4p h LYS 249 N 0.31 0.54 -0.46 2.37 1.57 -0.89 -0.06 116.57 119.95 1n4p h LYS 249 Ca 0.08 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1n4p h LYS 249 Cb 0.45 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1n4p h LYS 249 CO 0.02 0.36 0.28 -0.09 -0.57 0.00 0.00 179.45 179.45 1n4p h ARG 250 N 0.56 0.55 -0.59 3.15 9.65 -0.94 -0.22 114.38 126.54 1n4p h ARG 250 Ca 0.28 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.12 1n4p h ARG 250 Cb 0.23 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 1n4p h ARG 250 CO -0.21 0.37 0.33 2.35 2.80 0.00 0.00 179.97 185.61 1n4p h TRP 251 N 0.57 0.80 -0.19 2.20 7.01 -0.35 -2.35 115.95 123.64 1n4p h TRP 251 Ca 0.18 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 1n4p h TRP 251 Cb -0.02 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.78 1n4p h TRP 251 CO -0.06 0.57 -0.03 0.00 -2.79 0.00 0.00 178.44 176.12 1n4p h ILE 253 N 0.09 0.00 0.00 0.00 2.10 -0.99 -1.29 117.51 117.41 1n4p h ILE 253 Ca 0.05 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1n4p h ILE 253 Cb 0.46 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.36 1n4p h ILE 253 CO 0.02 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.32 1n4p n MET 254 N -2.60 0.10 0.18 2.19 2.81 -0.89 -3.21 117.12 115.70 1n4p n MET 254 Ca 0.01 0.06 0.14 0.00 -1.81 0.00 0.00 57.70 56.10 1n4p n MET 254 Cb 0.25 -1.50 0.46 0.00 -0.71 0.00 0.00 33.22 31.72 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 -6.23 0.03 2.47 -1.28 -3.44 114.38 105.93 1n4p h ARG 255 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1n4p h ARG 255 Cb 0.38 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 1n4p h ARG 255 CO 0.00 0.00 0.46 -1.14 0.56 0.00 0.00 179.97 179.85 1n4p s GLN 256 N -3.33 4.44 -0.08 0.04 0.74 -1.20 -2.41 119.66 117.86 1n4p s GLN 256 Ca 0.06 1.30 0.03 0.00 0.05 0.00 0.00 55.36 56.80 1n4p s GLN 256 Cb 0.09 -3.52 -0.07 0.00 1.10 0.00 0.00 33.01 30.61 1n4p s GLN 256 CO 0.54 -0.23 -0.05 1.04 -0.55 0.00 0.00 175.29 176.04 1n4p n GLN 257 N 4.68 1.10 0.08 1.67 1.13 -1.26 -4.97 117.38 119.81 1n4p n GLN 257 Ca 0.07 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1n4p n GLN 257 Cb 0.49 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.66 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 -2.60 -1.44 -0.46 1.08 0.23 -1.26 -5.07 115.26 105.74 1n4p n ASN 258 Ca -0.15 0.44 0.00 0.00 -0.53 0.00 0.00 54.58 54.34 1n4p n ASN 258 Cb 0.69 1.58 0.00 0.00 -2.08 0.00 0.00 39.78 39.97 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 -1.37 1.53 3.32 4.83 0.00 -1.26 -2.33 105.19 109.91 1n4p n GLY 259 Ca 0.00 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 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 1.80 2.10 0.34 1.61 1.51 -1.26 -4.44 117.35 119.01 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 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1n4p s TYR 260 CO 0.00 0.18 0.25 -3.38 -1.11 0.00 0.00 175.55 171.49 1n4p s HIS 261 N -0.92 2.83 -0.31 2.71 -3.43 -1.01 -1.01 115.29 114.15 1n4p s HIS 261 Ca 0.10 -0.34 0.21 0.00 -0.80 0.00 0.00 55.06 54.23 1n4p s HIS 261 Cb -0.10 -1.78 0.17 0.00 -1.43 0.00 0.00 32.58 29.45 1n4p s HIS 261 CO 0.03 0.21 1.40 0.78 -2.00 0.00 0.00 174.74 175.17 1n4p h GLY 262 N 1.33 0.00 -3.62 -1.38 0.00 -1.86 -3.45 103.07 94.08 1n4p h GLY 262 Ca -0.44 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1n4p h GLY 262 CO 0.60 0.00 0.29 1.09 0.00 0.00 0.00 176.54 178.52 1n4p s ARG 263 N -3.16 1.04 0.20 4.80 1.70 -1.26 0.47 118.95 122.74 1n4p s ARG 263 Ca 0.04 -0.09 -0.30 0.00 -0.47 0.00 0.00 55.73 54.91 1n4p s ARG 263 Cb 0.07 0.48 -0.16 0.00 -0.57 0.00 0.00 34.95 34.77 1n4p s ARG 263 CO 0.72 -0.39 0.84 -2.30 -1.08 0.00 0.00 175.30 173.09 1n4p n PRO 264 N 0.28 0.62 -1.98 3.89 -0.02 -1.26 -2.35 135.00 134.17 1n4p n PRO 264 Ca -0.16 0.22 -0.19 0.00 -2.02 0.00 0.00 63.50 61.35 1n4p n PRO 264 Cb 0.61 -1.47 -0.04 0.00 -0.02 0.00 0.00 33.50 32.57 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 1.74 -5.38 -4.41 2.55 3.02 -1.26 -5.01 115.26 106.51 1n4p n ASN 265 Ca 0.15 0.21 -0.28 0.00 -0.03 0.00 0.00 54.58 54.63 1n4p n ASN 265 Cb 0.25 -4.49 -0.12 0.00 -0.61 0.00 0.00 39.78 34.81 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 -4.32 1.47 0.60 3.52 -0.14 -0.99 -5.12 119.74 114.76 1n4p s LYS 266 Ca 0.00 -1.41 -0.19 0.00 -1.36 0.00 0.00 55.97 53.01 1n4p s LYS 266 Cb 0.00 -1.89 -0.03 0.00 -1.68 0.00 0.00 37.83 34.23 1n4p s LYS 266 CO 0.00 0.43 1.21 -1.25 -0.76 0.00 0.00 175.35 174.98 1n4p s PRO 267 N -2.31 2.92 0.66 -1.68 0.04 -1.26 -4.77 135.00 128.59 1n4p s PRO 267 Ca 0.17 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 1n4p s PRO 267 Cb -0.09 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1n4p s PRO 267 CO 0.08 -1.25 1.10 0.14 0.04 0.00 0.00 177.00 177.11 1n4p s VAL 268 N -1.60 3.35 -0.11 -0.36 -7.23 -1.26 -4.48 120.40 108.71 1n4p s VAL 268 Ca 0.78 0.61 -0.06 0.00 -1.81 0.00 0.00 61.98 61.50 1n4p s VAL 268 Cb -0.31 -3.14 0.05 0.00 0.56 0.00 0.00 36.38 33.54 1n4p s VAL 268 CO 0.34 -0.40 0.26 -0.62 -0.31 0.00 0.00 175.10 174.37 1n4p s ASP 269 N -2.68 -0.24 0.33 4.85 -1.08 -0.18 -4.83 116.67 112.83 1n4p s ASP 269 Ca 0.66 0.56 0.08 0.00 -0.52 0.00 0.00 52.55 53.33 1n4p s ASP 269 Cb -0.20 0.46 0.93 0.00 -1.46 0.00 0.00 42.92 42.66 1n4p s ASP 269 CO 0.42 -0.17 1.58 0.74 0.52 0.00 0.00 175.17 178.25 1n4p h THR 270 N 5.88 0.03 -0.05 1.71 2.02 -1.62 -0.63 112.91 120.24 1n4p h THR 270 Ca -0.38 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1n4p h THR 270 Cb 1.16 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1n4p h THR 270 CO 0.35 0.00 0.05 0.00 0.37 0.00 0.00 175.52 176.30 1n4p h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.34 -1.08 116.97 114.60 1n4p h TYR 272 Ca 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1n4p h TYR 272 Cb 0.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 1n4p h TYR 272 CO 0.00 0.00 -0.02 0.77 -1.05 0.00 0.00 178.16 177.86 1n4p h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.18 0.20 113.55 116.47 1n4p h SER 273 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1n4p h SER 273 Cb 0.46 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 1n4p h SER 273 CO 0.00 0.02 -1.74 0.33 -1.14 0.00 0.00 176.83 174.30 1n4p n PHE 274 N -3.93 0.38 -0.02 3.45 7.35 -0.48 -3.14 117.46 121.07 1n4p n PHE 274 Ca -0.03 0.17 -0.11 0.00 -0.76 0.00 0.00 57.45 56.71 1n4p n PHE 274 Cb 0.11 -0.93 -0.05 0.00 0.35 0.00 0.00 39.48 38.95 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 -1.14 0.05 -5.13 -0.00 -1.22 0.70 115.95 108.22 1n4p h TRP 275 Ca -0.43 0.05 -0.13 0.00 -0.00 0.00 0.00 58.89 58.39 1n4p h TRP 275 Cb 1.32 0.53 0.01 0.00 -0.00 0.00 0.00 29.16 31.02 1n4p h TRP 275 CO -0.10 -0.45 -0.53 0.28 -0.00 0.00 0.00 178.44 177.64 1n4p h VAL 276 N -0.44 1.53 -0.65 1.49 2.07 -1.19 -3.03 116.25 116.03 1n4p h VAL 276 Ca 0.09 -2.24 0.08 0.00 0.82 0.00 0.00 66.70 65.44 1n4p h VAL 276 Cb 0.60 2.95 -0.06 0.00 -1.52 0.00 0.00 31.29 33.26 1n4p h VAL 276 CO -0.42 0.63 0.32 1.23 0.02 0.00 0.00 177.57 179.35 1n4p h GLY 277 N -0.40 0.95 1.78 2.17 0.00 -1.41 0.63 103.07 106.80 1n4p h GLY 277 Ca -0.08 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1n4p h GLY 277 CO 0.10 0.08 -0.18 0.00 0.00 0.00 0.00 176.54 176.54 1n4p h ALA 278 N 1.38 1.41 -0.27 3.60 0.00 0.32 0.27 119.26 125.97 1n4p h ALA 278 Ca 0.31 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1n4p h ALA 278 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1n4p h ALA 278 CO -0.24 0.41 -0.15 1.15 0.00 0.00 0.00 179.25 180.43 1n4p h THR 279 N 0.25 1.30 -0.93 0.00 2.02 -1.01 -1.06 112.91 113.48 1n4p h THR 279 Ca 0.05 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 1n4p h THR 279 Cb 0.46 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 1n4p h THR 279 CO 0.03 0.39 0.57 -0.07 0.37 0.00 0.00 175.52 176.82 1n4p h LEU 280 N 0.32 1.10 -0.56 2.58 3.38 -0.43 -0.64 115.31 121.06 1n4p h LEU 280 Ca 0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1n4p h LEU 280 Cb 0.67 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1n4p h LEU 280 CO 0.04 0.83 0.26 0.50 0.09 0.00 0.00 178.44 180.16 1n4p h LYS 281 N 1.27 0.81 0.00 1.13 1.63 -0.66 -1.00 116.57 119.75 1n4p h LYS 281 Ca 0.33 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.97 1n4p h LYS 281 Cb -0.08 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.40 1n4p h LYS 281 CO -0.07 0.67 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.33 1n4p h LEU 282 N 0.75 0.00 -1.45 5.20 3.38 -0.42 -1.13 115.31 121.64 1n4p h LEU 282 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1n4p h LEU 282 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1n4p h LEU 282 CO -0.02 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.89 1n4p n LEU 283 N -4.07 2.13 -2.46 1.67 4.77 -0.32 -4.94 117.00 113.78 1n4p n LEU 283 Ca -0.02 -1.01 -0.21 0.00 -0.03 0.00 0.00 56.01 54.74 1n4p n LEU 283 Cb 0.28 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1n4p n LEU 283 CO 0.35 0.51 -0.24 0.29 -1.33 0.00 0.00 177.39 176.96 1n4p n LYS 284 N 0.65 -2.00 -0.10 3.23 4.01 -0.43 -4.87 118.16 118.65 1n4p n LYS 284 Ca 0.15 1.00 0.01 0.00 -0.51 0.00 0.00 58.31 58.96 1n4p n LYS 284 Cb 0.36 -5.69 0.02 0.00 -0.51 0.00 0.00 35.03 29.21 1n4p n LYS 284 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1n4p n ILE 285 N -4.05 0.51 0.24 -0.18 -5.35 -0.49 -4.72 119.36 105.32 1n4p n ILE 285 Ca -0.23 -0.56 0.09 0.00 -0.27 0.00 0.00 62.75 61.78 1n4p n ILE 285 Cb 0.68 0.62 0.62 0.00 -1.74 0.00 0.00 39.64 39.82 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 -1.81 -1.52 116.94 121.45 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 0.93 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1n4p h PHE 286 CO 0.02 0.14 -0.00 -0.56 -2.23 0.00 0.00 178.31 175.67 1n4p h GLN 287 N 0.00 0.00 -0.37 1.11 3.07 -1.89 -1.84 115.11 115.19 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 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 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 -3.33 0.48 -2.30 0.06 0.53 -0.57 -4.93 117.16 107.10 1n4p n TYR 288 Ca -0.03 -0.24 -0.25 0.00 -1.02 0.00 0.00 57.90 56.36 1n4p n TYR 288 Cb 0.08 0.00 0.08 0.00 -1.03 0.00 0.00 39.34 38.47 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 -1.52 2.28 -0.47 -0.72 -4.23 -0.69 -5.03 115.64 105.26 1n4p s THR 289 Ca 0.36 -0.35 -0.21 0.00 -1.18 0.00 0.00 61.69 60.31 1n4p s THR 289 Cb 0.20 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 71.15 1n4p s THR 289 CO 0.27 0.00 0.66 0.21 -0.54 0.00 0.00 174.62 175.23 1n4p s ASN 290 N -4.58 6.30 0.03 3.99 3.84 -1.26 -4.95 114.94 118.30 1n4p s ASN 290 Ca 0.62 -0.50 -0.22 0.00 0.21 0.00 0.00 52.86 52.98 1n4p s ASN 290 Cb -0.09 -2.32 -0.15 0.00 -0.55 0.00 0.00 41.25 38.14 1n4p s ASN 290 CO 0.45 -0.85 1.35 -0.26 -2.79 0.00 0.00 177.10 175.00 1n4p h PHE 291 N 8.95 0.31 -0.26 0.43 0.05 -1.95 -3.18 116.94 121.28 1n4p h PHE 291 Ca -0.26 -0.09 0.04 0.00 3.82 0.00 0.00 57.97 61.49 1n4p h PHE 291 Cb 1.09 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.94 1n4p h PHE 291 CO 0.75 0.65 0.01 1.49 -0.18 0.00 0.00 178.31 181.03 1n4p h GLU 292 N -0.11 0.09 -0.24 1.51 4.81 -1.97 0.96 114.58 119.63 1n4p h GLU 292 Ca 0.02 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1n4p h GLU 292 Cb 0.58 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1n4p h GLU 292 CO 0.02 0.06 -0.18 0.87 -0.73 0.00 0.00 179.01 179.06 1n4p h LYS 293 N 0.10 0.41 -0.02 1.92 1.57 -1.85 0.13 116.57 118.83 1n4p h LYS 293 Ca 0.12 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1n4p h LYS 293 Cb 0.15 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1n4p h LYS 293 CO -0.20 0.58 -0.02 -0.97 -0.57 0.00 0.00 179.45 178.28 1n4p h ASN 294 N 0.38 0.05 -0.44 0.86 -1.24 -1.06 -1.94 115.58 112.19 1n4p h ASN 294 Ca 0.07 -0.46 0.03 0.00 0.71 0.00 0.00 56.30 56.65 1n4p h ASN 294 Cb 0.54 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.54 1n4p h ASN 294 CO 0.03 0.50 0.24 -0.09 -1.29 0.00 0.00 177.43 176.82 1n4p h ARG 295 N -0.39 0.46 -0.70 6.67 2.43 -0.59 -1.34 114.38 120.93 1n4p h ARG 295 Ca 0.00 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1n4p h ARG 295 Cb 0.48 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 1n4p h ARG 295 CO 0.00 0.31 0.43 -0.91 -1.51 0.00 0.00 179.97 178.29 1n4p h ASN 296 N 0.48 0.68 0.17 -3.80 2.35 -0.73 -1.46 115.58 113.27 1n4p h ASN 296 Ca 0.19 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1n4p h ASN 296 Cb 0.06 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1n4p h ASN 296 CO -0.11 0.46 -0.08 0.22 -1.65 0.00 0.00 177.43 176.27 1n4p h TYR 297 N 0.82 -0.21 -0.39 1.19 3.20 -0.73 -1.62 116.97 119.22 1n4p h TYR 297 Ca 0.29 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.23 1n4p h TYR 297 Cb 0.07 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.33 1n4p h TYR 297 CO -0.05 -0.01 -0.13 0.82 -1.64 0.00 0.00 178.16 177.15 1n4p h ILE 298 N -0.38 0.54 0.00 1.81 2.04 -1.05 0.08 117.51 120.55 1n4p h ILE 298 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1n4p h ILE 298 Cb 0.30 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1n4p h ILE 298 CO 0.04 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 178.02 1n4p h LEU 299 N -0.05 0.00 -0.28 1.44 3.38 -1.17 -0.85 115.31 117.77 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 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1n4p h LEU 299 CO -0.43 0.10 0.00 -1.54 0.09 0.00 0.00 178.44 176.66 1n4p n SER 300 N -3.88 0.37 -1.14 -0.43 3.41 0.00 -1.88 113.62 110.07 1n4p n SER 300 Ca -0.02 0.58 0.10 0.00 -0.26 0.00 0.00 58.87 59.27 1n4p n SER 300 Cb 0.19 -0.66 0.26 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.89 0.91 -2.58 6.66 -2.24 -0.33 -4.31 114.28 110.50 1n4p n THR 301 Ca 0.04 -0.95 -0.42 0.00 -2.27 0.00 0.00 64.05 60.45 1n4p n THR 301 Cb 0.24 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 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 4.55 -0.53 -0.78 0.74 -0.79 -0.86 119.66 120.93 1n4p s GLN 302 Ca 0.41 1.60 -0.20 0.00 0.05 0.00 0.00 55.36 57.22 1n4p s GLN 302 Cb 0.22 -3.37 0.06 0.00 1.10 0.00 0.00 33.01 31.02 1n4p s GLN 302 CO 0.29 -0.04 0.72 0.34 -0.55 0.00 0.00 175.29 176.05 1n4p s ASP 303 N 0.58 6.25 0.25 6.67 -1.08 -0.66 -4.91 116.67 123.76 1n4p s ASP 303 Ca 0.53 -0.82 0.23 0.00 -0.52 0.00 0.00 52.55 51.96 1n4p s ASP 303 Cb -0.26 -2.33 0.98 0.00 -1.46 0.00 0.00 42.92 39.85 1n4p s ASP 303 CO 0.30 -1.01 1.69 0.54 0.52 0.00 0.00 175.17 177.22 1n4p n ARG 304 N 6.55 0.18 -0.10 4.34 1.74 -1.26 -0.64 116.66 127.47 1n4p n ARG 304 Ca -0.05 0.43 -0.17 0.00 -0.77 0.00 0.00 57.85 57.29 1n4p n ARG 304 Cb 0.46 -1.86 -0.07 0.00 -1.02 0.00 0.00 32.46 29.96 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 -2.21 1.89 0.01 0.55 -0.00 -1.26 -4.65 117.00 111.33 1n4p n LEU 305 Ca 0.02 0.43 0.11 0.00 -0.00 0.00 0.00 56.01 56.56 1n4p n LEU 305 Cb 0.21 -0.85 -0.05 0.00 -0.00 0.00 0.00 43.42 42.73 1n4p n LEU 305 CO 0.19 0.07 -0.12 1.33 -0.00 0.00 0.00 177.39 178.85 1n4p n VAL 306 N -4.43 0.06 0.00 1.96 0.24 -1.25 -5.09 118.33 109.82 1n4p n VAL 306 Ca -0.29 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1n4p n VAL 306 Cb 0.61 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 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 1.41 -0.21 0.38 7.63 0.00 0.18 -4.43 105.19 110.15 1n4p n GLY 307 Ca 0.02 -1.88 0.05 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.32 -1.43 3.29 -0.02 0.00 -1.26 -4.33 105.19 101.11 1n4p n GLY 308 Ca 0.00 -1.44 -0.17 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 -1.32 1.50 0.47 1.61 0.40 -1.26 -1.66 117.98 117.72 1n4p s PHE 309 Ca 0.00 -0.61 0.05 0.00 -0.60 0.00 0.00 56.93 55.77 1n4p s PHE 309 Cb 0.00 -0.74 -0.02 0.00 0.51 0.00 0.00 43.02 42.77 1n4p s PHE 309 CO 0.00 0.21 0.18 0.00 0.70 0.00 0.00 175.22 176.31 1n4p s ALA 310 N -2.73 3.91 0.13 5.36 0.00 -0.04 -2.59 121.76 125.79 1n4p s ALA 310 Ca 0.16 -1.47 -0.09 0.00 0.00 0.00 0.00 51.96 50.56 1n4p s ALA 310 Cb -0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 1n4p s ALA 310 CO 0.04 -0.20 1.35 1.57 0.00 0.00 0.00 175.76 178.52 1n4p h LYS 311 N 1.26 0.70 -5.40 0.00 2.10 -1.88 -3.40 116.57 109.94 1n4p h LYS 311 Ca -0.42 -0.56 -0.41 0.00 -2.00 0.00 0.00 60.65 57.27 1n4p h LYS 311 Cb 1.28 0.11 -0.15 0.00 -0.90 0.00 0.00 32.23 32.57 1n4p h LYS 311 CO 0.69 1.17 -0.73 -1.58 -2.00 0.00 0.00 179.45 177.00 1n4p s TRP 312 N -3.75 1.54 0.50 0.07 0.51 -1.26 -1.98 118.94 114.57 1n4p s TRP 312 Ca -0.09 -0.63 -0.23 0.00 -2.12 0.00 0.00 56.10 53.04 1n4p s TRP 312 Cb 0.09 -0.74 -0.06 0.00 -0.81 0.00 0.00 33.47 31.95 1n4p s TRP 312 CO 0.89 0.25 1.29 -1.25 -0.51 0.00 0.00 176.95 177.61 1n4p s PRO 313 N -3.54 3.45 -1.43 4.98 0.04 -1.26 -2.62 135.00 134.61 1n4p s PRO 313 Ca 0.19 2.08 -0.01 0.00 0.04 0.00 0.00 61.00 63.30 1n4p s PRO 313 Cb -0.00 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1n4p s PRO 313 CO 0.04 -0.89 0.15 -0.25 0.04 0.00 0.00 177.00 176.09 1n4p n ASP 314 N -0.70 -5.19 -4.49 6.66 10.43 -1.26 -5.00 116.55 117.01 1n4p n ASP 314 Ca 0.08 -0.08 -0.24 0.00 2.57 0.00 0.00 54.79 57.12 1n4p n ASP 314 Cb 0.46 -4.20 -0.10 0.00 1.84 0.00 0.00 41.12 39.11 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 -2.37 3.58 0.16 -2.24 0.15 -1.08 -5.11 113.70 106.80 1n4p s SER 315 Ca 0.07 -1.08 -0.30 0.00 0.70 0.00 0.00 55.95 55.35 1n4p s SER 315 Cb -0.03 -0.31 -0.07 0.00 -1.71 0.00 0.00 66.02 63.90 1n4p s SER 315 CO 0.09 -0.04 1.09 -1.00 1.20 0.00 0.00 173.24 174.58 1n4p s HIS 316 N -2.56 3.61 0.62 3.44 3.76 -1.26 -4.70 115.29 118.19 1n4p s HIS 316 Ca 0.30 1.60 -0.14 0.00 -0.15 0.00 0.00 55.06 56.68 1n4p s HIS 316 Cb -0.03 -3.26 -0.03 0.00 1.11 0.00 0.00 32.58 30.38 1n4p s HIS 316 CO 0.15 -0.57 1.05 -1.25 -0.85 0.00 0.00 174.74 173.28 1n4p s PRO 317 N -0.25 3.26 0.13 8.40 0.04 -1.26 -4.59 135.00 140.72 1n4p s PRO 317 Ca 0.50 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 1n4p s PRO 317 Cb -0.29 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1n4p s PRO 317 CO 0.34 -0.85 0.29 0.16 0.04 0.00 0.00 177.00 176.98 1n4p s ASP 318 N -3.21 -0.01 0.26 6.66 1.47 -1.07 -4.96 116.67 115.81 1n4p s ASP 318 Ca 0.61 -0.64 -0.02 0.00 1.18 0.00 0.00 52.55 53.68 1n4p s ASP 318 Cb -0.14 0.42 0.44 0.00 -0.34 0.00 0.00 42.92 43.30 1n4p s ASP 318 CO 0.43 -0.83 1.83 0.00 0.68 0.00 0.00 175.17 177.28 1n4p h ALA 319 N 2.56 1.32 -0.05 2.11 0.00 -1.97 -1.23 119.26 122.00 1n4p h ALA 319 Ca -0.33 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1n4p h ALA 319 Cb 1.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1n4p h ALA 319 CO 0.50 0.21 0.01 1.25 0.00 0.00 0.00 179.25 181.22 1n4p h LEU 320 N 0.93 0.09 -0.94 0.00 6.46 -1.95 -1.45 115.31 118.45 1n4p h LEU 320 Ca 0.43 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.91 1n4p h LEU 320 Cb 0.36 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1n4p h LEU 320 CO -0.23 0.31 -0.18 0.45 -0.62 0.00 0.00 178.44 178.17 1n4p h HIS 321 N -0.15 0.00 -0.12 1.25 3.86 -1.75 -1.39 115.15 116.86 1n4p h HIS 321 Ca 0.02 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 1n4p h HIS 321 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1n4p h HIS 321 CO 0.01 0.18 -0.26 0.00 0.86 0.00 0.00 177.93 178.72 1n4p h ALA 322 N 1.82 0.19 -0.13 2.45 0.00 -1.12 -0.22 119.26 122.26 1n4p h ALA 322 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1n4p h ALA 322 Cb 0.79 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1n4p h ALA 322 CO 0.02 0.18 0.03 -0.92 0.00 0.00 0.00 179.25 178.56 1n4p h TYR 323 N -0.04 0.22 0.00 0.00 3.20 -1.09 -2.40 116.97 116.85 1n4p h TYR 323 Ca 0.00 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 1n4p h TYR 323 Cb 0.86 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 1n4p h TYR 323 CO 0.11 0.38 -0.42 0.74 -1.64 0.00 0.00 178.16 177.33 1n4p h PHE 324 N -0.01 0.00 -0.52 -3.82 0.05 -1.31 -0.16 116.94 111.17 1n4p h PHE 324 Ca 0.04 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.70 1n4p h PHE 324 Cb 0.28 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.21 1n4p h PHE 324 CO 0.01 0.42 -0.17 0.78 -0.18 0.00 0.00 178.31 179.18 1n4p h GLY 325 N 1.99 1.11 1.00 -1.45 0.00 -0.96 0.15 103.07 104.91 1n4p h GLY 325 Ca -0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.28 1n4p h GLY 325 CO 0.05 0.86 -0.17 -2.22 0.00 0.00 0.00 176.54 175.07 1n4p h ILE 326 N 0.89 1.28 -0.14 2.60 2.04 -1.13 -1.03 117.51 122.02 1n4p h ILE 326 Ca 0.13 -1.29 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 1n4p h ILE 326 Cb 0.74 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1n4p h ILE 326 CO 0.06 0.43 -0.25 0.00 0.00 0.00 0.00 178.15 178.39 1n4p h GLY 328 N 0.96 0.87 1.05 0.00 0.00 -0.32 -1.99 103.07 103.64 1n4p h GLY 328 Ca 0.04 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1n4p h GLY 328 CO 0.04 0.54 0.21 1.41 0.00 0.00 0.00 176.54 178.73 1n4p h LEU 329 N 0.68 1.05 -1.09 3.11 4.07 -0.76 -2.92 115.31 119.46 1n4p h LEU 329 Ca 0.15 -0.22 0.04 0.00 0.08 0.00 0.00 57.88 57.93 1n4p h LEU 329 Cb 0.39 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.80 1n4p h LEU 329 CO 0.01 0.99 0.62 -1.28 -1.08 0.00 0.00 178.44 177.70 1n4p h SER 330 N 1.06 1.01 -0.29 -0.43 0.87 -0.63 -1.82 113.55 113.32 1n4p h SER 330 Ca 0.23 -0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.86 1n4p h SER 330 Cb 0.33 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1n4p h SER 330 CO -0.00 0.69 0.25 -0.07 -0.53 0.00 0.00 176.83 177.16 1n4p h LEU 331 N 1.17 0.00 -2.70 2.23 4.07 -1.16 0.26 115.31 119.18 1n4p h LEU 331 Ca 0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.34 1n4p h LEU 331 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1n4p h LEU 331 CO -0.12 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.47 1n4p n MET 332 N -4.10 2.70 -2.90 1.13 2.81 -0.70 -4.99 117.12 111.08 1n4p n MET 332 Ca 0.04 -2.64 -0.03 0.00 -1.81 0.00 0.00 57.70 53.26 1n4p n MET 332 Cb 0.41 -1.57 0.02 0.00 -0.71 0.00 0.00 33.22 31.36 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 1.66 -1.35 -2.67 0.03 1.02 0.93 -4.99 120.64 115.27 1n4p n GLU 333 Ca 0.24 1.22 -0.36 0.00 -0.02 0.00 0.00 57.16 58.24 1n4p n GLU 333 Cb 0.63 -5.23 -0.05 0.00 -0.02 0.00 0.00 31.44 26.76 1n4p n GLU 333 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1n4p s GLU 334 N -3.30 4.32 -0.06 3.49 2.56 -1.13 -4.98 118.70 119.61 1n4p s GLU 334 Ca 0.10 1.39 -0.30 0.00 0.00 0.00 0.00 54.97 56.16 1n4p s GLU 334 Cb -0.01 -2.58 -0.04 0.00 2.00 0.00 0.00 34.13 33.50 1n4p s GLU 334 CO 0.65 0.02 1.30 0.45 -0.56 0.00 0.00 175.26 177.12 1n4p s SER 335 N -1.67 6.95 0.00 -1.70 0.15 -1.26 -2.98 113.70 113.19 1n4p s SER 335 Ca 0.56 1.90 0.00 0.00 0.70 0.00 0.00 55.95 59.11 1n4p s SER 335 Cb -0.19 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1n4p s SER 335 CO 0.24 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.61 1n4p n GLY 336 N 3.54 0.63 3.20 9.45 0.00 -1.26 -5.06 105.19 115.70 1n4p n GLY 336 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.19 1.86 0.79 -0.61 1.01 -1.16 -4.74 121.20 116.16 1n4p s ILE 337 Ca 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 1n4p s ILE 337 Cb 0.00 -1.60 0.07 0.00 0.01 0.00 0.00 42.46 40.94 1n4p s ILE 337 CO 0.00 0.52 1.11 0.00 0.00 0.00 0.00 174.94 176.57 1n4p s LYS 339 N -4.73 4.53 0.06 0.00 2.20 -1.26 -4.81 119.74 115.73 1n4p s LYS 339 Ca 0.64 1.90 -0.01 0.00 -0.36 0.00 0.00 55.97 58.14 1n4p s LYS 339 Cb -0.19 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1n4p s LYS 339 CO 0.55 0.02 0.23 0.54 -0.36 0.00 0.00 175.35 176.32 1n4p s VAL 340 N -0.69 5.37 -0.57 4.02 0.11 -1.26 -0.91 120.40 126.46 1n4p s VAL 340 Ca 0.49 -0.29 -0.21 0.00 -2.93 0.00 0.00 61.98 59.04 1n4p s VAL 340 Cb -0.34 -3.62 0.07 0.00 -1.53 0.00 0.00 36.38 30.97 1n4p s VAL 340 CO 0.41 0.16 0.77 -2.28 -3.33 0.00 0.00 175.10 170.83 1n4p s HIS 341 N -1.50 2.91 0.20 1.54 2.46 0.12 -4.70 115.29 116.32 1n4p s HIS 341 Ca 0.35 -0.57 -0.11 0.00 0.47 0.00 0.00 55.06 55.20 1n4p s HIS 341 Cb -0.13 -3.92 0.27 0.00 -0.13 0.00 0.00 32.58 28.67 1n4p s HIS 341 CO 0.26 -1.29 1.71 -1.00 -2.47 0.00 0.00 174.74 171.95 1n4p h PRO 342 N 9.22 0.25 -0.20 2.88 0.13 -1.92 0.16 132.00 142.51 1n4p h PRO 342 Ca -0.28 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.66 1n4p h PRO 342 Cb 1.08 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1n4p h PRO 342 CO 1.07 0.17 -0.56 0.00 -0.23 0.00 0.00 178.00 178.44 1n4p h ALA 343 N 1.45 0.63 0.00 -0.56 0.00 -1.92 -3.26 119.26 115.60 1n4p h ALA 343 Ca 0.30 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1n4p h ALA 343 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1n4p h ALA 343 CO -0.38 0.69 -0.60 -0.11 0.00 0.00 0.00 179.25 178.85 1n4p n LEU 344 N -3.96 0.57 -3.54 0.00 7.94 -1.15 -4.88 117.00 111.97 1n4p n LEU 344 Ca -0.04 0.01 -0.21 0.00 -1.11 0.00 0.00 56.01 54.66 1n4p n LEU 344 Cb 0.62 -0.21 0.08 0.00 0.53 0.00 0.00 43.42 44.44 1n4p n LEU 344 CO 0.48 0.09 0.17 -3.20 -1.11 0.00 0.00 177.39 173.82 1n4p n ASN 345 N -1.64 -4.23 -4.07 1.96 5.15 0.03 -5.02 115.26 107.44 1n4p n ASN 345 Ca 0.05 -0.60 -0.10 0.00 -0.60 0.00 0.00 54.58 53.33 1n4p n ASN 345 Cb 0.36 -4.99 -0.08 0.00 -0.53 0.00 0.00 39.78 34.55 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 -3.35 0.02 0.55 3.44 -7.23 -1.23 -4.98 120.40 107.62 1n4p s VAL 346 Ca 0.31 -1.64 -0.19 0.00 -1.81 0.00 0.00 61.98 58.65 1n4p s VAL 346 Cb -0.14 -2.20 -0.06 0.00 0.56 0.00 0.00 36.38 34.55 1n4p s VAL 346 CO 0.74 -0.11 1.14 -0.94 -0.31 0.00 0.00 175.10 175.61 1n4p s SER 347 N -3.05 5.66 0.54 4.85 1.04 -1.26 0.14 113.70 121.61 1n4p s SER 347 Ca 0.27 2.20 0.23 0.00 0.48 0.00 0.00 55.95 59.13 1n4p s SER 347 Cb 0.04 -2.58 1.48 0.00 0.10 0.00 0.00 66.02 65.05 1n4p s SER 347 CO 0.07 -1.26 2.15 0.71 0.98 0.00 0.00 173.24 175.89 1n4p h THR 348 N 1.16 0.76 -0.28 2.02 1.35 -1.31 0.50 112.91 117.11 1n4p h THR 348 Ca -0.50 -0.21 0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1n4p h THR 348 Cb 1.27 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1n4p h THR 348 CO 0.57 0.05 0.13 -0.09 -0.25 0.00 0.00 175.52 175.93 1n4p h ARG 349 N 0.00 0.28 -0.37 4.72 2.43 -1.90 0.34 114.38 119.87 1n4p h ARG 349 Ca -0.00 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1n4p h ARG 349 Cb 0.12 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1n4p h ARG 349 CO 0.01 0.18 -0.17 1.15 -1.51 0.00 0.00 179.97 179.63 1n4p h THR 350 N 0.28 1.26 -0.43 0.20 2.02 -1.35 -1.10 112.91 113.79 1n4p h THR 350 Ca 0.12 -1.23 -0.08 0.00 0.77 0.00 0.00 66.41 65.99 1n4p h THR 350 Cb 0.04 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1n4p h THR 350 CO -0.09 0.41 -0.06 0.77 0.37 0.00 0.00 175.52 176.92 1n4p h SER 351 N 0.62 0.72 -0.10 4.18 4.64 -0.49 -1.61 113.55 121.52 1n4p h SER 351 Ca 0.10 -0.19 -0.18 0.00 -0.47 0.00 0.00 61.79 61.05 1n4p h SER 351 Cb 0.64 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1n4p h SER 351 CO 0.05 0.83 -0.59 -0.33 -0.87 0.00 0.00 176.83 175.91 1n4p h GLU 352 N 0.68 0.70 -0.83 4.77 5.08 -0.66 -0.61 114.58 123.71 1n4p h GLU 352 Ca 0.13 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1n4p h GLU 352 Cb 0.51 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1n4p h GLU 352 CO 0.03 1.09 0.51 -0.09 -1.00 0.00 0.00 179.01 179.55 1n4p h ARG 353 N 0.53 1.11 -0.42 2.33 1.12 -0.91 -1.51 114.38 116.64 1n4p h ARG 353 Ca -0.00 -0.09 -0.12 0.00 -1.11 0.00 0.00 59.98 58.66 1n4p h ARG 353 Cb 1.18 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 30.89 1n4p h ARG 353 CO 0.12 0.77 -0.21 1.25 -3.11 0.00 0.00 179.97 178.79 1n4p h LEU 354 N 1.14 0.84 -1.06 3.80 5.85 -0.95 -1.43 115.31 123.50 1n4p h LEU 354 Ca 0.30 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1n4p h LEU 354 Cb -0.06 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 1n4p h LEU 354 CO -0.06 1.03 0.63 -0.09 -0.34 0.00 0.00 178.44 179.61 1n4p h ARG 355 N 0.72 1.20 0.38 1.25 9.65 -0.21 -1.04 114.38 126.33 1n4p h ARG 355 Ca 0.10 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1n4p h ARG 355 Cb 0.74 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1n4p h ARG 355 CO 0.06 0.79 -0.18 -0.44 2.80 0.00 0.00 179.97 183.00 1n4p h ASP 356 N 1.24 -0.43 -0.97 -3.80 3.32 -0.89 -1.76 116.42 113.12 1n4p h ASP 356 Ca 0.37 -0.14 0.28 0.00 0.02 0.00 0.00 57.03 57.57 1n4p h ASP 356 Cb -0.04 0.11 -0.14 0.00 0.22 0.00 0.00 39.33 39.48 1n4p h ASP 356 CO -0.10 -0.05 0.51 -0.07 -1.72 0.00 0.00 179.24 177.81 1n4p h LEU 357 N -0.87 0.46 0.39 1.55 3.38 -0.99 0.53 115.31 119.76 1n4p h LEU 357 Ca -0.05 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1n4p h LEU 357 Cb 0.54 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1n4p h LEU 357 CO 0.09 -0.07 -0.19 0.45 0.09 0.00 0.00 178.44 178.81 1n4p h HIS 358 N 0.38 -0.49 -0.78 1.13 3.86 -1.06 -0.49 115.15 117.70 1n4p h HIS 358 Ca 0.67 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.98 1n4p h HIS 358 Cb 1.43 0.16 -0.05 0.00 1.06 0.00 0.00 27.41 30.01 1n4p h HIS 358 CO -0.06 -0.20 0.51 0.37 0.86 0.00 0.00 177.93 179.41 1n4p h GLN 359 N -0.71 0.62 0.34 2.45 -0.00 -0.09 -1.26 115.11 116.46 1n4p h GLN 359 Ca -0.05 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 1n4p h GLN 359 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.85 1n4p h GLN 359 CO 0.09 0.41 -0.17 1.03 0.00 0.00 0.00 178.83 180.19 1n4p h SER 360 N 0.63 -0.39 -0.02 -0.69 0.87 0.31 -2.15 113.55 112.11 1n4p h SER 360 Ca 0.37 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.91 1n4p h SER 360 Cb 0.57 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1n4p h SER 360 CO -0.14 -0.23 0.04 -0.50 -0.53 0.00 0.00 176.83 175.47 1n4p h TRP 361 N -0.52 0.00 -0.87 2.24 6.55 0.01 -3.36 115.95 120.00 1n4p h TRP 361 Ca -0.05 0.00 -0.37 0.00 0.95 0.00 0.00 58.89 59.42 1n4p h TRP 361 Cb 0.39 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.63 1n4p h TRP 361 CO -0.04 0.00 0.92 0.15 -1.05 0.00 0.00 178.44 178.43 1n4p s LYS 362 N -4.41 2.79 0.00 0.49 3.01 -0.65 -5.11 119.74 115.86 1n4p s LYS 362 Ca -0.05 -0.43 0.00 0.00 -1.01 0.00 0.00 55.97 54.48 1n4p s LYS 362 Cb 0.14 -5.09 0.00 0.00 -1.01 0.00 0.00 37.83 31.87 1n4p s LYS 362 CO 0.48 -3.09 0.00 0.25 0.51 0.00 0.00 175.35 173.50