#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 2.87 -0.30 -1.43 3.84 -1.26 -5.10 116.67 115.29 1n4p s ASP 19 Ca 0.00 -1.12 -0.26 0.00 -0.00 0.00 0.00 52.55 51.17 1n4p s ASP 19 Cb 0.00 -0.19 0.01 0.00 -1.38 0.00 0.00 42.92 41.36 1n4p s ASP 19 CO 0.00 -0.24 0.90 0.12 -0.00 0.00 0.00 175.17 175.95 1n4p s PHE 20 N -2.91 3.21 -1.45 2.11 5.36 -1.26 -4.96 117.98 118.08 1n4p s PHE 20 Ca 0.28 1.01 -0.08 0.00 -0.96 0.00 0.00 56.93 57.18 1n4p s PHE 20 Cb 0.01 -3.35 0.04 0.00 -0.34 0.00 0.00 43.02 39.38 1n4p s PHE 20 CO 0.11 -0.61 2.58 1.28 -1.46 0.00 0.00 175.22 177.12 1n4p n LEU 21 N 6.40 8.22 -0.36 6.12 4.32 -1.26 -4.84 117.00 135.60 1n4p n LEU 21 Ca 0.07 -4.65 0.01 0.00 -0.02 0.00 0.00 56.01 51.43 1n4p n LEU 21 Cb 0.48 -1.46 0.07 0.00 -1.62 0.00 0.00 43.42 40.89 1n4p n LEU 21 CO 0.53 2.00 0.62 -0.09 -1.22 0.00 0.00 177.39 179.22 1n4p h ARG 22 N 4.87 -0.01 -0.65 3.23 2.43 -1.98 -0.90 114.38 121.37 1n4p h ARG 22 Ca 0.75 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.88 1n4p h ARG 22 Cb 0.32 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1n4p h ARG 22 CO 1.62 -0.01 0.25 -0.44 -1.51 0.00 0.00 179.97 179.89 1n4p h ASP 23 N -0.01 0.87 -0.75 -3.80 3.32 -2.00 -1.67 116.42 112.39 1n4p h ASP 23 Ca 0.39 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1n4p h ASP 23 Cb 0.64 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1n4p h ASP 23 CO -0.98 0.79 0.39 -0.09 -1.72 0.00 0.00 179.24 177.63 1n4p h ARG 24 N 0.93 1.05 -0.04 3.56 9.65 -1.59 -1.78 114.38 126.17 1n4p h ARG 24 Ca 0.22 -0.13 -0.11 0.00 -1.10 0.00 0.00 59.98 58.85 1n4p h ARG 24 Cb 0.19 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1n4p h ARG 24 CO -0.02 0.80 -0.50 0.45 2.80 0.00 0.00 179.97 183.50 1n4p h HIS 25 N 1.03 0.12 -0.47 2.20 3.86 -1.03 -1.43 115.15 119.44 1n4p h HIS 25 Ca 0.26 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1n4p h HIS 25 Cb 0.06 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1n4p h HIS 25 CO 0.00 0.58 0.05 0.28 0.86 0.00 0.00 177.93 179.70 1n4p h VAL 26 N 0.08 1.25 -0.64 2.45 2.07 -0.71 -1.55 116.25 119.20 1n4p h VAL 26 Ca 0.00 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 1n4p h VAL 26 Cb 0.92 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1n4p h VAL 26 CO 0.07 0.34 0.06 0.03 0.02 0.00 0.00 177.57 178.08 1n4p h ARG 27 N 0.65 1.09 -0.14 1.57 3.08 -1.12 -1.73 114.38 117.78 1n4p h ARG 27 Ca 0.14 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.91 1n4p h ARG 27 Cb 0.43 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 1n4p h ARG 27 CO 0.01 1.03 -0.15 0.35 -1.07 0.00 0.00 179.97 180.15 1n4p h PHE 28 N 1.01 -0.38 -0.44 3.04 3.57 -0.96 -0.22 116.94 122.56 1n4p h PHE 28 Ca 0.19 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1n4p h PHE 28 Cb 0.50 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1n4p h PHE 28 CO 0.04 -0.22 0.11 0.74 -2.23 0.00 0.00 178.31 176.75 1n4p h PHE 29 N -0.18 0.67 -0.49 0.41 0.05 -1.14 -2.04 116.94 114.21 1n4p h PHE 29 Ca 0.10 -0.05 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 1n4p h PHE 29 Cb 0.32 -0.20 -0.02 0.00 2.00 0.00 0.00 35.95 38.05 1n4p h PHE 29 CO -0.27 0.57 0.28 1.96 -0.18 0.00 0.00 178.31 180.67 1n4p h GLN 30 N 0.64 0.68 -0.62 1.51 4.20 -0.33 -2.26 115.11 118.94 1n4p h GLN 30 Ca 0.15 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1n4p h GLN 30 Cb 0.23 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1n4p h GLN 30 CO -0.00 0.52 0.26 0.00 -0.67 0.00 0.00 178.83 178.94 1n4p h ARG 31 N 0.66 0.89 -0.62 1.46 3.08 -0.68 -2.26 114.38 116.90 1n4p h ARG 31 Ca 0.18 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.14 1n4p h ARG 31 Cb 0.03 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1n4p h ARG 31 CO -0.03 0.71 0.41 0.00 -1.07 0.00 0.00 179.97 179.99 1n4p n LEU 33 N -4.47 0.30 0.00 0.00 7.99 -0.86 -4.73 117.00 115.22 1n4p n LEU 33 Ca 0.08 0.53 0.00 0.00 -0.01 0.00 0.00 56.01 56.61 1n4p n LEU 33 Cb 0.18 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 1n4p n LEU 33 CO 0.34 -0.09 0.00 0.00 -1.51 0.00 0.00 177.39 176.14 1n4p n GLN 34 N -1.78 0.00 -4.87 3.23 6.02 -0.24 -5.06 117.38 114.67 1n4p n GLN 34 Ca 0.06 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.78 1n4p n GLN 34 Cb 0.36 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.46 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 0.61 1.51 0.04 5.09 1.01 -1.25 -5.12 120.40 122.29 1n4p s VAL 35 Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1n4p s VAL 35 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1n4p s VAL 35 CO 0.00 0.43 -0.09 -0.76 0.00 0.00 0.00 175.10 174.68 1n4p s LEU 36 N 0.19 3.05 0.69 3.92 1.43 -1.26 -4.98 118.68 121.72 1n4p s LEU 36 Ca -0.08 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 1n4p s LEU 36 Cb -0.13 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1n4p s LEU 36 CO 0.04 0.24 1.22 -2.84 0.23 0.00 0.00 176.35 175.24 1n4p s PRO 37 N -1.68 2.38 0.35 1.29 0.02 -1.26 -4.87 135.00 131.23 1n4p s PRO 37 Ca 0.18 1.80 0.20 0.00 0.02 0.00 0.00 61.00 63.20 1n4p s PRO 37 Cb -0.11 -1.86 1.07 0.00 0.02 0.00 0.00 34.50 33.63 1n4p s PRO 37 CO 0.09 -1.66 1.56 1.49 -0.33 0.00 0.00 177.00 178.16 1n4p h GLU 38 N 0.06 0.00 0.00 5.54 4.81 -2.03 -1.16 114.58 121.80 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 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1n4p h GLU 38 CO 0.51 0.00 0.00 2.89 -0.73 0.00 0.00 179.01 181.68 1n4p n ARG 39 N -2.24 0.09 -0.48 1.92 1.85 -1.26 -1.59 116.66 114.95 1n4p n ARG 39 Ca -0.01 0.24 0.09 0.00 -1.00 0.00 0.00 57.85 57.17 1n4p n ARG 39 Cb 0.16 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.38 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 -1.37 1.16 -0.33 2.89 4.02 -0.44 -4.62 117.16 118.46 1n4p n TYR 40 Ca 0.04 -0.60 0.25 0.00 -0.01 0.00 0.00 57.90 57.58 1n4p n TYR 40 Cb 0.10 -0.17 0.54 0.00 -0.02 0.00 0.00 39.34 39.79 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 3.51 0.39 0.09 7.72 4.64 -1.50 0.03 113.55 128.42 1n4p h SER 41 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1n4p h SER 41 Cb 1.24 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1n4p h SER 41 CO 0.15 0.06 0.00 -1.54 -0.87 0.00 0.00 176.83 174.62 1n4p n SER 42 N -4.59 0.00 -0.43 4.97 3.41 -1.26 -1.41 113.62 114.31 1n4p n SER 42 Ca 0.26 -0.19 0.11 0.00 -0.26 0.00 0.00 58.87 58.79 1n4p n SER 42 Cb 0.95 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.12 1.84 -0.32 1.04 4.77 -0.00 -4.62 117.00 118.58 1n4p n LEU 43 Ca 0.08 -0.68 -0.04 0.00 -0.03 0.00 0.00 56.01 55.33 1n4p n LEU 43 Cb 0.06 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1n4p n LEU 43 CO 0.08 0.35 0.58 -0.08 -1.33 0.00 0.00 177.39 176.99 1n4p h GLU 44 N 2.11 -0.07 0.00 3.23 4.57 -1.38 0.69 114.58 123.73 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 0.71 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 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 -5.43 0.00 -2.68 0.32 -2.24 -1.26 -3.10 114.28 99.89 1n4p n THR 45 Ca 0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 1n4p n THR 45 Cb 0.37 -0.57 0.05 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.92 1.76 0.12 3.42 3.41 0.19 -3.98 113.62 117.63 1n4p n SER 46 Ca 0.14 -2.21 -0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1n4p n SER 46 Cb 0.06 -0.44 0.29 0.00 -0.26 0.00 0.00 64.21 63.86 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 2.25 0.18 -0.60 4.33 3.08 -1.25 -2.80 114.38 119.58 1n4p h ARG 47 Ca -0.11 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 1n4p h ARG 47 Cb 1.40 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.41 1n4p h ARG 47 CO 0.21 0.51 0.30 1.25 -1.07 0.00 0.00 179.97 181.18 1n4p h LEU 48 N 0.16 0.75 -0.33 3.04 5.85 -1.55 0.06 115.31 123.28 1n4p h LEU 48 Ca 0.02 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1n4p h LEU 48 Cb 0.69 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1n4p h LEU 48 CO 0.05 0.62 -0.31 0.71 -0.34 0.00 0.00 178.44 179.18 1n4p h THR 49 N 0.84 0.57 -0.34 1.05 1.35 -1.80 -0.88 112.91 113.70 1n4p h THR 49 Ca 0.21 -1.62 -0.15 0.00 -0.55 0.00 0.00 66.41 64.30 1n4p h THR 49 Cb 0.06 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 1n4p h THR 49 CO -0.03 0.30 -0.40 0.40 -0.25 0.00 0.00 175.52 175.54 1n4p h ILE 50 N 0.00 1.28 -0.47 6.82 1.08 -1.17 -1.56 117.51 123.49 1n4p h ILE 50 Ca -0.00 -1.57 -0.01 0.00 -0.39 0.00 0.00 64.86 62.88 1n4p h ILE 50 Cb 1.11 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 36.27 1n4p h ILE 50 CO 0.04 0.52 0.24 0.00 -0.69 0.00 0.00 178.15 178.26 1n4p h ALA 51 N 0.86 0.60 -0.18 1.87 0.00 -0.68 -2.08 119.26 119.65 1n4p h ALA 51 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1n4p h ALA 51 Cb 0.97 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1n4p h ALA 51 CO 0.09 0.15 -0.08 0.35 0.00 0.00 0.00 179.25 179.76 1n4p h PHE 52 N 0.62 -0.19 -0.66 0.00 3.57 -0.88 0.29 116.94 119.69 1n4p h PHE 52 Ca 0.16 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.75 1n4p h PHE 52 Cb 0.08 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 1n4p h PHE 52 CO -0.01 -0.13 0.35 0.74 -2.23 0.00 0.00 178.31 177.02 1n4p h PHE 53 N -0.06 0.63 -0.10 0.41 0.05 -1.04 0.18 116.94 117.02 1n4p h PHE 53 Ca 0.10 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.86 1n4p h PHE 53 Cb 0.20 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 37.97 1n4p h PHE 53 CO -0.23 0.28 -0.17 0.00 -0.18 0.00 0.00 178.31 178.01 1n4p h ALA 54 N 1.36 0.15 0.25 2.45 0.00 -0.86 -0.53 119.26 122.09 1n4p h ALA 54 Ca 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1n4p h ALA 54 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1n4p h ALA 54 CO -0.21 0.06 -0.12 -0.07 0.00 0.00 0.00 179.25 178.91 1n4p h LEU 55 N -0.16 -0.28 -1.82 0.00 3.38 -0.28 -0.34 115.31 115.81 1n4p h LEU 55 Ca 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1n4p h LEU 55 Cb 0.74 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1n4p h LEU 55 CO 0.04 0.04 -0.11 -1.28 0.09 0.00 0.00 178.44 177.22 1n4p h SER 56 N -0.63 0.00 -0.37 -0.43 0.87 -0.76 0.12 113.55 112.35 1n4p h SER 56 Ca -0.03 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.40 1n4p h SER 56 Cb 0.45 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1n4p h SER 56 CO 0.06 0.11 -0.26 1.23 -0.53 0.00 0.00 176.83 177.43 1n4p h GLY 57 N 0.35 0.91 1.03 5.77 0.00 -0.87 0.14 103.07 110.41 1n4p h GLY 57 Ca -0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 47.33 46.34 1n4p h GLY 57 CO 0.01 0.79 -0.16 1.41 0.00 0.00 0.00 176.54 178.59 1n4p h LEU 58 N 0.64 0.88 -0.41 3.11 3.38 -0.11 -2.24 115.31 120.57 1n4p h LEU 58 Ca 0.07 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1n4p h LEU 58 Cb 0.84 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1n4p h LEU 58 CO 0.07 1.07 0.18 -0.78 0.09 0.00 0.00 178.44 179.07 1n4p h ASP 59 N 0.69 0.24 -0.05 -0.43 -0.00 -0.66 0.18 116.42 116.38 1n4p h ASP 59 Ca 0.10 0.03 0.02 0.00 -0.00 0.00 0.00 57.03 57.18 1n4p h ASP 59 Cb 0.72 -0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 40.03 1n4p h ASP 59 CO 0.05 0.18 0.04 -0.03 -0.00 0.00 0.00 179.24 179.49 1n4p h MET 60 N 0.37 0.00 -0.67 0.28 4.05 -0.71 0.67 114.93 118.93 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 0.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1n4p h MET 60 CO -0.15 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.27 1n4p n LEU 61 N -4.22 3.86 -3.61 3.39 4.77 -0.10 -0.70 117.00 120.40 1n4p n LEU 61 Ca -0.02 -1.90 -0.27 0.00 -0.03 0.00 0.00 56.01 53.79 1n4p n LEU 61 Cb 0.14 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 40.84 1n4p n LEU 61 CO 0.31 0.94 -0.06 -0.67 -1.33 0.00 0.00 177.39 176.59 1n4p n ASP 62 N 1.62 -5.06 -0.85 -1.43 2.03 0.43 -4.92 116.55 108.36 1n4p n ASP 62 Ca 0.23 -0.94 0.01 0.00 0.52 0.00 0.00 54.79 54.62 1n4p n ASP 62 Cb 0.62 -3.79 0.01 0.00 -0.72 0.00 0.00 41.12 37.23 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 -2.83 0.34 0.06 1.67 7.64 -0.24 -4.87 113.62 115.40 1n4p n SER 63 Ca -0.11 -2.00 0.05 0.00 1.01 0.00 0.00 58.87 57.82 1n4p n SER 63 Cb 0.61 -0.23 0.25 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.17 0.22 0.22 -3.43 4.77 -1.26 -1.92 117.00 115.77 1n4p n LEU 64 Ca 0.02 0.60 0.07 0.00 -0.03 0.00 0.00 56.01 56.67 1n4p n LEU 64 Cb 0.86 -0.62 0.49 0.00 -2.33 0.00 0.00 43.42 41.81 1n4p n LEU 64 CO -0.01 -0.65 0.81 -2.24 -1.33 0.00 0.00 177.39 173.97 1n4p h ASP 65 N 0.00 0.00 0.00 -1.43 2.03 -1.95 -2.96 116.42 112.11 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 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1n4p h ASP 65 CO 0.00 0.27 0.00 1.33 -1.03 0.00 0.00 179.24 179.81 1n4p n VAL 66 N -3.78 0.00 -4.27 4.15 0.24 -0.81 -4.74 118.33 109.11 1n4p n VAL 66 Ca -0.01 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.12 1n4p n VAL 66 Cb 0.37 -0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 32.19 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 1.37 -1.02 3.34 -7.23 -1.12 -5.08 120.40 108.66 1n4p s VAL 67 Ca 0.16 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 1n4p s VAL 67 Cb 0.07 -1.76 0.14 0.00 0.56 0.00 0.00 36.38 35.40 1n4p s VAL 67 CO 0.12 -0.57 1.22 0.21 -0.31 0.00 0.00 175.10 175.77 1n4p s ASN 68 N -2.90 6.77 0.49 4.85 3.84 -1.26 -4.88 114.94 121.85 1n4p s ASN 68 Ca 0.15 -2.35 0.35 0.00 0.21 0.00 0.00 52.86 51.21 1n4p s ASN 68 Cb -0.01 -2.40 1.49 0.00 -0.55 0.00 0.00 41.25 39.77 1n4p s ASN 68 CO 0.03 -0.96 1.69 0.11 -2.79 0.00 0.00 177.10 175.19 1n4p h LYS 69 N 8.29 0.09 -0.15 0.43 1.57 -1.93 -0.52 116.57 124.35 1n4p h LYS 69 Ca 0.21 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.82 1n4p h LYS 69 Cb 0.98 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.27 1n4p h LYS 69 CO 1.15 0.06 -0.54 -0.44 -0.57 0.00 0.00 179.45 179.11 1n4p h ASP 70 N 0.09 0.73 0.11 0.86 3.32 -1.92 -1.91 116.42 117.69 1n4p h ASP 70 Ca 0.73 -0.61 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1n4p h ASP 70 Cb 2.58 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 41.92 1n4p h ASP 70 CO -0.17 1.22 -0.05 0.44 -1.72 0.00 0.00 179.24 178.95 1n4p h ASP 71 N 0.28 -0.13 -0.95 6.45 3.32 -1.52 -2.41 116.42 121.46 1n4p h ASP 71 Ca -0.03 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1n4p h ASP 71 Cb 1.17 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 1n4p h ASP 71 CO 0.11 -0.04 0.61 0.40 -1.72 0.00 0.00 179.24 178.61 1n4p h ILE 72 N -0.21 1.25 -0.60 0.35 2.04 -1.56 -1.64 117.51 117.15 1n4p h ILE 72 Ca -0.02 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1n4p h ILE 72 Cb 0.16 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 1n4p h ILE 72 CO 0.03 0.25 0.29 0.40 0.00 0.00 0.00 178.15 179.11 1n4p h ILE 73 N 1.30 1.20 -0.36 -0.67 2.04 -1.14 -0.17 117.51 119.70 1n4p h ILE 73 Ca 0.35 -0.55 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 1n4p h ILE 73 Cb -0.12 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1n4p h ILE 73 CO -0.07 0.23 -0.27 -0.33 0.00 0.00 0.00 178.15 177.71 1n4p h GLU 74 N 0.85 0.82 -0.32 2.37 4.39 -0.89 -1.75 114.58 120.05 1n4p h GLU 74 Ca 0.21 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1n4p h GLU 74 Cb 0.09 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1n4p h GLU 74 CO -0.03 1.03 0.21 2.35 -1.16 0.00 0.00 179.01 181.42 1n4p h TRP 75 N 0.62 0.40 -0.43 4.33 7.01 -0.77 -1.42 115.95 125.70 1n4p h TRP 75 Ca 0.07 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1n4p h TRP 75 Cb 0.84 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 1n4p h TRP 75 CO 0.06 0.26 0.26 0.82 -2.79 0.00 0.00 178.44 177.05 1n4p h ILE 76 N 0.44 1.07 0.00 2.65 2.04 -0.95 -1.89 117.51 120.86 1n4p h ILE 76 Ca 0.12 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1n4p h ILE 76 Cb -0.05 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1n4p h ILE 76 CO -0.03 0.10 -0.08 1.88 0.00 0.00 0.00 178.15 180.02 1n4p h TYR 77 N 0.53 0.00 0.00 1.37 0.05 -0.93 -0.37 116.97 117.62 1n4p h TYR 77 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1n4p h TYR 77 Cb -0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.72 1n4p h TYR 77 CO -0.06 0.08 0.00 -1.13 -1.05 0.00 0.00 178.16 176.00 1n4p n SER 78 N -3.51 0.48 -0.29 3.88 3.41 -0.57 -2.38 113.62 114.63 1n4p n SER 78 Ca -0.02 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1n4p n SER 78 Cb 0.22 -0.70 0.28 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.99 1.22 -4.72 1.04 4.77 -0.15 -4.63 117.00 112.55 1n4p n LEU 79 Ca 0.04 -0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.24 1n4p n LEU 79 Cb 0.28 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1n4p n LEU 79 CO 0.22 0.23 0.77 -1.58 -1.33 0.00 0.00 177.39 175.70 1n4p s GLN 80 N -2.52 4.52 -0.59 3.23 0.74 -1.00 -0.32 119.66 123.71 1n4p s GLN 80 Ca 0.22 1.60 -0.21 0.00 0.05 0.00 0.00 55.36 57.02 1n4p s GLN 80 Cb 0.19 -3.39 0.07 0.00 1.10 0.00 0.00 33.01 30.98 1n4p s GLN 80 CO 0.54 -0.11 0.81 0.08 -0.55 0.00 0.00 175.29 176.07 1n4p s VAL 81 N 0.85 4.59 0.34 1.34 1.01 0.10 -4.90 120.40 123.74 1n4p s VAL 81 Ca 0.54 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1n4p s VAL 81 Cb -0.25 -4.52 -0.06 0.00 0.00 0.00 0.00 36.38 31.54 1n4p s VAL 81 CO 0.29 -1.16 0.67 -0.76 0.00 0.00 0.00 175.10 174.14 1n4p s LEU 82 N 3.35 3.96 0.51 3.92 1.43 -1.26 -3.10 118.68 127.49 1n4p s LEU 82 Ca 0.19 0.99 -0.21 0.00 -1.03 0.00 0.00 54.13 54.07 1n4p s LEU 82 Cb -0.19 -3.83 -0.06 0.00 0.03 0.00 0.00 46.19 42.14 1n4p s LEU 82 CO 0.11 -0.28 1.17 -2.16 0.23 0.00 0.00 176.35 175.42 1n4p s PRO 83 N -3.55 3.49 0.90 1.29 0.04 -1.26 -4.22 135.00 131.69 1n4p s PRO 83 Ca 0.49 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 63.15 1n4p s PRO 83 Cb -0.11 -2.21 0.14 0.00 0.04 0.00 0.00 34.50 32.37 1n4p s PRO 83 CO 0.28 -0.77 1.16 0.95 0.04 0.00 0.00 177.00 178.67 1n4p s THR 84 N -1.61 1.98 0.21 1.26 -4.23 -1.26 -2.42 115.64 109.57 1n4p s THR 84 Ca 0.69 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.07 1n4p s THR 84 Cb -0.28 -2.81 0.22 0.00 1.34 0.00 0.00 72.50 70.96 1n4p s THR 84 CO 0.33 0.00 1.64 1.05 -0.54 0.00 0.00 174.62 177.09 1n4p h GLU 85 N -1.46 0.03 0.00 3.99 9.09 -1.95 0.42 114.58 124.70 1n4p h GLU 85 Ca -0.49 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1n4p h GLU 85 Cb 1.32 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1n4p h GLU 85 CO 0.60 0.02 0.00 -0.40 0.05 0.00 0.00 179.01 179.28 1n4p n ASP 86 N -5.38 0.00 -4.33 3.06 3.85 -1.26 -4.90 116.55 107.59 1n4p n ASP 86 Ca 0.08 -1.47 -0.36 0.00 -0.71 0.00 0.00 54.79 52.33 1n4p n ASP 86 Cb 0.33 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.04 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 -0.75 -1.70 -0.28 0.11 1.74 0.15 -4.83 116.66 111.09 1n4p n ARG 87 Ca 0.12 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.53 1n4p n ARG 87 Cb 0.05 -4.46 0.27 0.00 -1.02 0.00 0.00 32.46 27.30 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 -2.70 3.65 -0.68 0.55 3.41 -1.26 -4.24 113.62 112.35 1n4p n SER 88 Ca -0.07 -1.99 0.06 0.00 -0.26 0.00 0.00 58.87 56.60 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 1.54 1.59 -0.35 4.04 6.94 -1.26 -4.82 115.26 122.93 1n4p n ASN 89 Ca 0.22 -3.30 0.01 0.00 -0.02 0.00 0.00 54.58 51.49 1n4p n ASN 89 Cb 0.60 -0.45 0.16 0.00 -2.36 0.00 0.00 39.78 37.73 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 0.78 1.00 0.00 -4.53 3.38 -1.95 -1.49 115.31 112.50 1n4p h LEU 90 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1n4p h LEU 90 Cb 1.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1n4p h LEU 90 CO 0.02 0.66 0.00 0.47 0.09 0.00 0.00 178.44 179.67 1n4p n ASP 91 N -4.52 0.00 -0.04 -0.43 8.00 -1.26 -2.16 116.55 116.14 1n4p n ASP 91 Ca 0.14 -0.31 0.01 0.00 0.71 0.00 0.00 54.79 55.34 1n4p n ASP 91 Cb 0.15 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.92 1.81 -2.31 -1.24 1.74 -0.56 -4.65 116.66 110.53 1n4p n ARG 92 Ca 0.06 -1.37 -0.30 0.00 -0.77 0.00 0.00 57.85 55.46 1n4p n ARG 92 Cb 0.03 -0.91 -0.01 0.00 -1.02 0.00 0.00 32.46 30.54 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 -2.19 0.04 3.25 0.00 0.00 -1.18 -4.43 105.19 100.69 1n4p n GLY 94 Ca 0.04 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 1.62 0.36 1.61 0.40 -1.26 0.02 117.98 116.72 1n4p s PHE 95 Ca 0.00 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1n4p s PHE 95 Cb 0.00 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.60 1n4p s PHE 95 CO 0.00 0.16 0.58 1.03 0.70 0.00 0.00 175.22 177.69 1n4p s ARG 96 N -1.85 3.51 0.34 0.44 0.52 0.56 -1.07 118.95 121.38 1n4p s ARG 96 Ca 0.04 -0.22 0.18 0.00 -0.52 0.00 0.00 55.73 55.20 1n4p s ARG 96 Cb -0.10 -2.62 0.18 0.00 0.52 0.00 0.00 34.95 32.93 1n4p s ARG 96 CO 0.04 0.10 1.51 0.78 0.02 0.00 0.00 175.30 177.75 1n4p h GLY 97 N 0.77 0.00 0.00 -3.53 0.00 -1.89 -3.46 103.07 94.96 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 0.62 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.02 1n4p n SER 98 N -3.19 0.00 -1.72 0.19 3.41 -1.26 -1.41 113.62 109.63 1n4p n SER 98 Ca 0.03 -0.92 -0.05 0.00 -0.26 0.00 0.00 58.87 57.66 1n4p n SER 98 Cb 0.66 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.88 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 -0.52 4.24 0.15 4.04 3.41 -1.26 -4.70 113.62 118.99 1n4p n SER 99 Ca 0.00 -3.31 0.08 0.00 -0.26 0.00 0.00 58.87 55.38 1n4p n SER 99 Cb 0.00 -0.71 0.44 0.00 -0.26 0.00 0.00 64.21 63.69 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 -0.45 0.55 0.72 7.33 4.11 -1.26 -1.67 117.16 126.48 1n4p n TYR 100 Ca 0.39 0.29 0.13 0.00 -0.00 0.00 0.00 57.90 58.71 1n4p n TYR 100 Cb 1.29 -0.86 0.42 0.00 -0.00 0.00 0.00 39.34 40.19 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 -2.11 0.61 0.00 -3.48 4.77 -1.26 -4.93 117.00 110.60 1n4p n LEU 101 Ca -0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1n4p n LEU 101 Cb 0.17 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1n4p n LEU 101 CO 0.07 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1n4p n GLY 102 N 1.36 0.64 3.73 -0.72 0.00 -0.67 -5.03 105.19 104.50 1n4p n GLY 102 Ca 0.06 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 3.48 0.27 -0.61 1.01 -1.26 -4.95 121.20 117.15 1n4p s ILE 103 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.53 1n4p s ILE 103 Cb 0.00 -3.75 -0.13 0.00 0.01 0.00 0.00 42.46 38.58 1n4p s ILE 103 CO 0.00 0.16 1.35 -0.81 0.00 0.00 0.00 174.94 175.64 1n4p n PRO 104 N 2.97 2.02 -1.62 2.79 -0.04 -1.26 -4.87 135.00 134.99 1n4p n PRO 104 Ca 0.07 0.72 -0.50 0.00 -0.04 0.00 0.00 63.50 63.74 1n4p n PRO 104 Cb 0.44 -2.33 -0.05 0.00 -0.04 0.00 0.00 33.50 31.51 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 1.35 1.77 -3.18 0.54 7.35 -1.26 -4.96 117.46 119.06 1n4p n PHE 105 Ca 0.09 0.51 0.02 0.00 -0.76 0.00 0.00 57.45 57.32 1n4p n PHE 105 Cb 0.33 -2.40 -0.01 0.00 0.35 0.00 0.00 39.48 37.75 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 0.65 -1.54 -0.37 -2.13 2.47 -1.26 -5.06 114.94 107.69 1n4p s ASN 106 Ca 0.83 -0.49 -0.12 0.00 0.42 0.00 0.00 52.86 53.50 1n4p s ASN 106 Cb -0.86 1.95 -0.13 0.00 -1.45 0.00 0.00 41.25 40.76 1n4p s ASN 106 CO 0.44 -0.20 1.58 -0.81 -3.72 0.00 0.00 177.10 174.39 1n4p n PRO 107 N 4.69 0.81 -4.03 0.43 -0.04 -1.26 -4.13 135.00 131.48 1n4p n PRO 107 Ca 0.09 -1.10 -0.27 0.00 -0.04 0.00 0.00 63.50 62.18 1n4p n PRO 107 Cb 0.56 -2.39 -0.03 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 6.13 -0.65 0.00 3.54 7.64 -1.11 -4.74 113.62 124.43 1n4p n SER 108 Ca 0.31 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1n4p n SER 108 Cb 0.20 -2.87 0.00 0.00 -1.01 0.00 0.00 64.21 60.53 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 -0.79 1.43 5.02 -1.26 -5.03 118.16 113.11 1n4p n LYS 109 Ca -0.25 0.00 -0.28 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 35.90 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 -0.93 1.31 1.23 4.39 6.03 -1.26 -5.02 114.94 120.69 1n4p s ASN 110 Ca 0.00 1.27 -0.19 0.00 -1.03 0.00 0.00 52.86 52.91 1n4p s ASN 110 Cb 0.00 -1.96 0.28 0.00 -3.03 0.00 0.00 41.25 36.54 1n4p s ASN 110 CO 0.00 -3.96 1.01 -0.81 -2.03 0.00 0.00 177.10 171.31 1n4p n PRO 111 N -4.73 -2.95 -2.40 3.55 -0.04 -1.26 -4.98 135.00 122.19 1n4p n PRO 111 Ca 0.05 -1.61 -0.40 0.00 -0.04 0.00 0.00 63.50 61.49 1n4p n PRO 111 Cb 0.56 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 -4.33 2.99 -0.46 0.55 0.00 -1.02 -5.01 107.32 100.05 1n4p s GLY 112 Ca 0.65 0.96 -0.14 0.00 0.00 0.00 0.00 44.72 46.19 1n4p s GLY 112 CO 0.50 1.63 0.37 -1.08 0.00 0.00 0.00 173.10 174.52 1n4p s THR 113 N -0.98 5.07 0.19 0.90 -1.32 -1.26 -4.37 115.64 113.87 1n4p s THR 113 Ca 0.46 -1.10 -0.29 0.00 -1.21 0.00 0.00 61.69 59.56 1n4p s THR 113 Cb -0.33 -4.03 -0.17 0.00 -1.51 0.00 0.00 72.50 66.46 1n4p s THR 113 CO 0.42 -0.55 0.60 0.00 -2.21 0.00 0.00 174.62 172.88 1n4p n ALA 114 N 5.16 -2.82 -3.66 11.08 0.00 -1.26 -5.00 120.51 124.01 1n4p n ALA 114 Ca -0.12 0.45 -0.06 0.00 0.00 0.00 0.00 53.44 53.71 1n4p n ALA 114 Cb 0.44 -1.64 -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 -0.90 -1.02 0.42 0.00 5.04 -1.26 -5.06 115.29 112.50 1n4p s HIS 115 Ca 0.66 1.94 0.24 0.00 -1.54 0.00 0.00 55.06 56.37 1n4p s HIS 115 Cb -0.95 0.57 1.26 0.00 0.04 0.00 0.00 32.58 33.49 1n4p s HIS 115 CO 0.56 -0.53 1.71 -1.35 -2.34 0.00 0.00 174.74 172.80 1n4p h PRO 116 N 7.47 0.24 0.00 2.88 0.11 -2.05 -2.88 132.00 137.77 1n4p h PRO 116 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1n4p h PRO 116 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1n4p h PRO 116 CO 0.16 0.16 -0.04 0.66 -0.21 0.00 0.00 178.00 178.73 1n4p n TYR 117 N -4.63 0.00 -3.12 0.65 4.01 -1.26 -5.02 117.16 107.79 1n4p n TYR 117 Ca 0.30 -0.62 -0.40 0.00 -0.16 0.00 0.00 57.90 57.02 1n4p n TYR 117 Cb 1.12 -0.09 -0.06 0.00 -0.31 0.00 0.00 39.34 40.01 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 -1.69 6.74 0.26 7.72 2.15 -1.09 -5.03 116.67 125.74 1n4p s ASP 118 Ca 0.13 0.90 -0.22 0.00 0.43 0.00 0.00 52.55 53.80 1n4p s ASP 118 Cb 0.12 -2.36 0.03 0.00 -0.30 0.00 0.00 42.92 40.41 1n4p s ASP 118 CO 0.01 -0.23 0.75 -0.94 -0.17 0.00 0.00 175.17 174.60 1n4p s SER 119 N 1.08 -0.25 0.76 -0.34 1.04 -1.26 -4.91 113.70 109.82 1n4p s SER 119 Ca 0.30 -0.57 -0.08 0.00 0.48 0.00 0.00 55.95 56.08 1n4p s SER 119 Cb -0.16 0.69 0.10 0.00 0.10 0.00 0.00 66.02 66.75 1n4p s SER 119 CO 0.12 -1.28 1.08 -0.83 0.98 0.00 0.00 173.24 173.31 1n4p s GLY 120 N -2.92 1.71 -0.08 7.32 0.00 -0.59 -4.62 107.32 108.14 1n4p s GLY 120 Ca 0.11 -1.09 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 1n4p s GLY 120 CO 0.06 -0.58 -0.05 -1.58 0.00 0.00 0.00 173.10 170.96 1n4p s HIS 121 N -3.38 1.08 0.32 1.90 5.04 -0.24 -4.56 115.29 115.45 1n4p s HIS 121 Ca 0.64 -0.44 0.10 0.00 -1.54 0.00 0.00 55.06 53.82 1n4p s HIS 121 Cb -0.09 -0.98 0.92 0.00 0.04 0.00 0.00 32.58 32.48 1n4p s HIS 121 CO 0.47 -0.38 1.70 0.97 -2.34 0.00 0.00 174.74 175.15 1n4p h ILE 122 N 6.21 0.43 0.00 0.89 2.10 -1.15 0.47 117.51 126.46 1n4p h ILE 122 Ca -0.27 -0.15 -0.06 0.00 1.08 0.00 0.00 64.86 65.46 1n4p h ILE 122 Cb 1.14 -0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.81 1n4p h ILE 122 CO 0.37 0.08 -0.27 0.00 -1.08 0.00 0.00 178.15 177.25 1n4p h ALA 123 N 1.77 1.04 0.14 0.18 0.00 -1.94 -1.81 119.26 118.64 1n4p h ALA 123 Ca 0.66 -0.25 -0.31 0.00 0.00 0.00 0.00 54.91 55.01 1n4p h ALA 123 Cb 1.35 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1n4p h ALA 123 CO -0.54 0.34 -1.54 0.52 0.00 0.00 0.00 179.25 178.03 1n4p h MET 124 N 0.00 0.29 -0.66 0.00 2.86 -0.46 -2.02 114.93 114.93 1n4p h MET 124 Ca -0.00 -0.49 -0.03 0.00 -2.06 0.00 0.00 59.70 57.12 1n4p h MET 124 Cb 0.77 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 1n4p h MET 124 CO 0.04 1.17 0.31 1.15 1.06 0.00 0.00 176.91 180.63 1n4p h THR 125 N 0.08 1.23 0.81 2.22 2.02 -0.72 0.37 112.91 118.92 1n4p h THR 125 Ca -0.25 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.25 1n4p h THR 125 Cb 2.03 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1n4p h THR 125 CO 0.17 0.26 -0.39 0.22 0.37 0.00 0.00 175.52 176.16 1n4p h TYR 126 N 0.92 -1.01 0.00 3.16 3.20 -1.39 -1.71 116.97 120.15 1n4p h TYR 126 Ca 0.23 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 1n4p h TYR 126 Cb 0.13 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1n4p h TYR 126 CO 0.00 -0.62 -0.18 1.79 -1.64 0.00 0.00 178.16 177.51 1n4p h THR 127 N -1.23 1.06 0.56 1.81 1.35 -1.31 -1.08 112.91 114.06 1n4p h THR 127 Ca -0.11 -0.64 -0.03 0.00 -0.55 0.00 0.00 66.41 65.08 1n4p h THR 127 Cb 0.84 1.35 0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1n4p h THR 127 CO 0.18 0.18 -0.27 1.23 -0.25 0.00 0.00 175.52 176.59 1n4p h GLY 128 N 0.61 -0.78 0.76 5.82 0.00 -0.19 0.11 103.07 109.40 1n4p h GLY 128 Ca -0.00 0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.66 1n4p h GLY 128 CO 0.02 -0.29 0.38 1.41 0.00 0.00 0.00 176.54 178.06 1n4p h LEU 129 N -0.97 0.58 -0.74 3.11 3.38 -1.18 -0.79 115.31 118.69 1n4p h LEU 129 Ca -0.08 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1n4p h LEU 129 Cb 0.64 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1n4p h LEU 129 CO 0.13 0.39 0.45 -1.28 0.09 0.00 0.00 178.44 178.22 1n4p h SER 130 N 0.71 0.71 -0.45 -0.43 0.87 -1.12 -1.70 113.55 112.13 1n4p h SER 130 Ca 0.28 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1n4p h SER 130 Cb 0.12 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1n4p h SER 130 CO -0.15 0.47 0.07 0.00 -0.53 0.00 0.00 176.83 176.68 1n4p h LEU 132 N 0.61 0.07 -0.60 0.00 3.38 -0.64 -0.36 115.31 117.77 1n4p h LEU 132 Ca 0.14 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1n4p h LEU 132 Cb 0.40 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1n4p h LEU 132 CO 0.01 0.07 0.35 0.40 0.09 0.00 0.00 178.44 179.36 1n4p h ILE 133 N 0.23 1.19 -0.83 1.22 2.04 -1.21 -1.66 117.51 118.49 1n4p h ILE 133 Ca 0.16 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1n4p h ILE 133 Cb 0.17 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1n4p h ILE 133 CO -0.20 0.20 0.52 0.40 0.00 0.00 0.00 178.15 179.07 1n4p h ILE 134 N 0.82 1.22 0.00 -0.67 2.04 -0.79 -1.93 117.51 118.20 1n4p h ILE 134 Ca 0.21 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1n4p h ILE 134 Cb 0.01 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 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 -4.38 0.00 0.00 1.44 4.77 -0.20 -4.90 117.00 113.73 1n4p n LEU 135 Ca 0.09 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1n4p n LEU 135 Cb 0.05 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 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 0.96 0.48 3.69 -0.72 0.00 -0.73 -4.95 105.19 103.93 1n4p n GLY 136 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.52 3.46 0.00 1.61 -1.08 -0.67 -4.94 116.67 112.54 1n4p s ASP 137 Ca 0.00 2.32 0.21 0.00 -0.52 0.00 0.00 52.55 54.56 1n4p s ASP 137 Cb 0.00 -2.58 0.32 0.00 -1.46 0.00 0.00 42.92 39.20 1n4p s ASP 137 CO 0.00 -2.75 1.28 -0.90 0.52 0.00 0.00 175.17 173.32 1n4p n ASP 138 N -3.50 3.12 -0.56 -0.34 5.68 -1.26 -4.49 116.55 115.19 1n4p n ASP 138 Ca 0.13 -1.92 -0.07 0.00 -0.50 0.00 0.00 54.79 52.43 1n4p n ASP 138 Cb 0.51 -0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.29 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 -0.28 0.22 -2.12 4.32 -1.26 -4.88 117.00 114.26 1n4p n LEU 139 Ca 0.16 0.18 0.06 0.00 -0.02 0.00 0.00 56.01 56.39 1n4p n LEU 139 Cb 0.54 -1.84 0.50 0.00 -1.62 0.00 0.00 43.42 41.01 1n4p n LEU 139 CO 0.14 -0.64 0.85 0.77 -1.22 0.00 0.00 177.39 177.29 1n4p h SER 140 N 0.00 0.00 -0.08 -1.43 4.64 -2.02 -2.13 113.55 112.52 1n4p h SER 140 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1n4p h SER 140 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1n4p h SER 140 CO 0.22 0.24 0.00 0.54 -0.87 0.00 0.00 176.83 176.96 1n4p n ARG 141 N -4.05 1.49 -3.15 4.77 1.74 -1.26 -4.81 116.66 111.40 1n4p n ARG 141 Ca -0.02 -0.74 -0.40 0.00 -0.77 0.00 0.00 57.85 55.92 1n4p n ARG 141 Cb 0.31 -1.40 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 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 -1.90 5.04 -1.20 1.55 1.01 -0.80 -4.97 120.40 119.13 1n4p s VAL 142 Ca 0.34 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 63.24 1n4p s VAL 142 Cb 0.18 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.68 1n4p s VAL 142 CO 0.28 0.12 1.69 -0.62 0.00 0.00 0.00 175.10 176.57 1n4p s ASP 143 N 1.21 6.49 0.21 3.32 -1.08 -1.26 -4.81 116.67 120.76 1n4p s ASP 143 Ca 0.27 -2.03 -0.11 0.00 -0.52 0.00 0.00 52.55 50.16 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 -1.52 1.66 0.11 0.52 0.00 0.00 175.17 176.04 1n4p h LYS 144 N 8.53 0.12 -0.30 4.34 1.57 -1.93 -0.98 116.57 127.92 1n4p h LYS 144 Ca 0.35 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1n4p h LYS 144 Cb 0.92 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1n4p h LYS 144 CO 1.42 0.08 0.06 0.93 -0.57 0.00 0.00 179.45 181.37 1n4p h GLU 145 N 0.12 0.44 -0.21 3.15 4.39 -1.99 -1.47 114.58 119.00 1n4p h GLU 145 Ca 0.32 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 1n4p h GLU 145 Cb 0.52 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1n4p h GLU 145 CO -0.52 0.42 -0.12 0.00 -1.16 0.00 0.00 179.01 177.63 1n4p h ALA 146 N 1.64 0.30 -0.51 3.43 0.00 -1.59 -0.70 119.26 121.84 1n4p h ALA 146 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1n4p h ALA 146 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1n4p h ALA 146 CO -0.00 0.16 0.33 0.00 0.00 0.00 0.00 179.25 179.74 1n4p h LEU 148 N 0.68 0.72 -0.39 0.00 3.38 -1.22 0.22 115.31 118.71 1n4p h LEU 148 Ca 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1n4p h LEU 148 Cb -0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1n4p h LEU 148 CO -0.04 0.76 0.15 0.00 0.09 0.00 0.00 178.44 179.40 1n4p h ALA 149 N 1.33 0.50 -0.77 1.53 0.00 -0.43 -0.89 119.26 120.54 1n4p h ALA 149 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1n4p h ALA 149 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1n4p h ALA 149 CO 0.01 0.11 0.33 0.78 0.00 0.00 0.00 179.25 180.49 1n4p h GLY 150 N 0.48 1.21 0.93 0.00 0.00 -0.20 -2.60 103.07 102.89 1n4p h GLY 150 Ca 0.13 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1n4p h GLY 150 CO -0.01 0.60 -0.21 -2.00 0.00 0.00 0.00 176.54 174.92 1n4p h LEU 151 N 1.10 -0.53 -0.85 3.11 6.46 -0.18 -2.60 115.31 121.83 1n4p h LEU 151 Ca 0.26 0.03 0.18 0.00 -0.12 0.00 0.00 57.88 58.23 1n4p h LEU 151 Cb 0.18 0.15 -0.11 0.00 -0.73 0.00 0.00 40.66 40.15 1n4p h LEU 151 CO -0.03 -0.35 0.37 0.03 -0.62 0.00 0.00 178.44 177.85 1n4p h ARG 152 N -0.55 0.44 0.00 1.25 3.08 -0.84 0.23 114.38 117.99 1n4p h ARG 152 Ca -0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1n4p h ARG 152 Cb 0.45 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1n4p h ARG 152 CO 0.05 0.29 -0.00 0.00 -1.07 0.00 0.00 179.97 179.24 1n4p h ALA 153 N 1.63 1.30 0.00 0.04 0.00 -1.08 -2.23 119.26 118.93 1n4p h ALA 153 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1n4p h ALA 153 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1n4p h ALA 153 CO -0.46 0.01 -0.33 -0.07 0.00 0.00 0.00 179.25 178.39 1n4p h LEU 154 N 0.00 0.00 -9.56 0.00 3.38 -0.36 -3.47 115.31 105.30 1n4p h LEU 154 Ca -0.00 -0.08 -0.52 0.00 0.09 0.00 0.00 57.88 57.37 1n4p h LEU 154 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1n4p h LEU 154 CO 0.00 0.04 0.45 -1.58 0.09 0.00 0.00 178.44 177.44 1n4p s GLN 155 N -3.17 4.58 0.65 1.13 0.74 -0.84 -1.49 119.66 121.26 1n4p s GLN 155 Ca 0.07 1.62 -0.00 0.00 0.05 0.00 0.00 55.36 57.10 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 0.67 0.03 0.90 -0.51 -0.55 0.00 0.00 175.29 175.83 1n4p s LEU 156 N 0.20 3.09 0.22 3.68 1.43 0.58 -4.98 118.68 122.91 1n4p s LEU 156 Ca 0.51 -0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1n4p s LEU 156 Cb -0.27 -2.43 0.29 0.00 0.03 0.00 0.00 46.19 43.81 1n4p s LEU 156 CO 0.31 -1.54 1.82 1.05 0.23 0.00 0.00 176.35 178.23 1n4p h GLU 157 N -0.28 0.76 0.00 1.70 4.11 -1.96 -1.50 114.58 117.41 1n4p h GLU 157 Ca -0.39 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1n4p h GLU 157 Cb 1.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1n4p h GLU 157 CO 0.47 0.51 0.00 -0.40 0.07 0.00 0.00 179.01 179.65 1n4p n ASP 158 N -4.73 0.00 0.00 3.06 3.85 -1.26 -4.87 116.55 112.60 1n4p n ASP 158 Ca 0.10 -0.49 0.00 0.00 -0.71 0.00 0.00 54.79 53.69 1n4p n ASP 158 Cb 0.19 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 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 3.01 3.94 6.12 0.00 -0.56 -4.10 105.19 113.84 1n4p n GLY 159 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.14 3.17 0.23 1.61 1.04 -1.26 -3.98 113.70 113.37 1n4p s SER 160 Ca 0.00 0.17 0.09 0.00 0.48 0.00 0.00 55.95 56.69 1n4p s SER 160 Cb 0.00 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.86 1n4p s SER 160 CO 0.00 -2.69 -0.17 -0.36 0.98 0.00 0.00 173.24 171.01 1n4p s PHE 161 N -3.83 1.93 0.41 5.02 0.40 -1.26 -0.31 117.98 120.35 1n4p s PHE 161 Ca 0.74 -0.48 0.08 0.00 -0.60 0.00 0.00 56.93 56.67 1n4p s PHE 161 Cb -0.04 -0.88 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 1n4p s PHE 161 CO 0.52 0.48 0.47 0.00 0.70 0.00 0.00 175.22 177.39 1n4p n ALA 163 N -1.68 1.20 -2.78 0.00 0.00 -1.26 -4.74 120.51 111.25 1n4p n ALA 163 Ca 0.05 -0.74 -0.15 0.00 0.00 0.00 0.00 53.44 52.60 1n4p n ALA 163 Cb 0.60 -0.68 -0.13 0.00 0.00 0.00 0.00 19.45 19.24 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 0.61 0.56 0.00 -7.23 -1.26 -0.60 120.40 109.90 1n4p s VAL 164 Ca -0.15 -0.77 0.25 0.00 -1.81 0.00 0.00 61.98 59.49 1n4p s VAL 164 Cb 0.07 -0.60 0.36 0.00 0.56 0.00 0.00 36.38 36.77 1n4p s VAL 164 CO 0.78 -0.14 2.07 1.55 -0.31 0.00 0.00 175.10 179.06 1n4p h PRO 165 N 5.10 0.00 0.00 4.82 0.13 -1.86 0.12 132.00 140.31 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1n4p h PRO 165 CO 0.44 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.60 1n4p n GLU 166 N -4.14 0.18 0.00 0.86 4.71 -1.26 -4.95 120.64 116.03 1n4p n GLU 166 Ca 0.04 0.47 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 1n4p n GLU 166 Cb 0.38 -1.88 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 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 -0.32 2.79 0.48 0.62 0.00 0.03 -5.17 105.19 103.62 1n4p n GLY 167 Ca 0.01 -1.66 -0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 57.21 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 2.96 -0.03 4.33 1.03 -1.26 -4.87 118.70 118.85 1n4p s GLU 169 Ca 0.03 1.20 0.02 0.00 0.03 0.00 0.00 54.97 56.25 1n4p s GLU 169 Cb -0.00 -1.98 0.01 0.00 -0.80 0.00 0.00 34.13 31.35 1n4p s GLU 169 CO 0.00 -1.10 -0.10 0.54 -1.33 0.00 0.00 175.26 173.28 1n4p s ASN 170 N -3.02 1.33 0.20 0.83 4.22 -1.26 -4.13 114.94 113.11 1n4p s ASN 170 Ca 0.63 -0.21 -0.18 0.00 -2.14 0.00 0.00 52.86 50.96 1n4p s ASN 170 Cb -0.17 -0.42 0.07 0.00 1.28 0.00 0.00 41.25 42.01 1n4p s ASN 170 CO 0.44 0.06 0.89 -0.90 -2.04 0.00 0.00 177.10 175.56 1n4p n ASP 171 N 3.41 -1.65 -0.29 3.54 5.68 -1.21 -4.95 116.55 121.07 1n4p n ASP 171 Ca -0.19 -1.92 0.19 0.00 -0.50 0.00 0.00 54.79 52.36 1n4p n ASP 171 Cb 0.53 2.70 0.47 0.00 -1.14 0.00 0.00 41.12 43.68 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 0.46 -0.67 0.11 1.85 -1.75 -2.05 114.93 112.89 1n4p h MET 172 Ca -0.25 -0.03 0.12 0.00 -0.61 0.00 0.00 59.70 58.93 1n4p h MET 172 Cb 1.09 -0.10 -0.09 0.00 0.43 0.00 0.00 31.60 32.92 1n4p h MET 172 CO 0.34 0.31 0.22 0.00 -0.40 0.00 0.00 176.91 177.37 1n4p h ARG 173 N 0.48 0.36 0.00 0.39 3.08 -1.93 -0.88 114.38 115.87 1n4p h ARG 173 Ca 0.53 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.55 1n4p h ARG 173 Cb 1.23 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1n4p h ARG 173 CO -0.25 0.24 -0.07 0.74 -1.07 0.00 0.00 179.97 179.55 1n4p h PHE 174 N 0.37 0.00 -0.43 3.04 0.05 -1.67 -2.40 116.94 115.90 1n4p h PHE 174 Ca 0.35 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 62.00 1n4p h PHE 174 Cb 0.51 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.45 1n4p h PHE 174 CO -0.20 0.07 -0.30 0.28 -0.18 0.00 0.00 178.31 177.99 1n4p h VAL 175 N 0.00 1.27 -0.63 -0.55 2.07 -1.14 -0.48 116.25 116.79 1n4p h VAL 175 Ca -0.00 -1.46 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 1n4p h VAL 175 Cb 0.84 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1n4p h VAL 175 CO 0.01 0.50 0.05 0.22 0.02 0.00 0.00 177.57 178.37 1n4p h TYR 176 N 0.81 1.16 -0.35 1.57 3.20 -1.07 -1.16 116.97 121.12 1n4p h TYR 176 Ca 0.09 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1n4p h TYR 176 Cb 0.88 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1n4p h TYR 176 CO 0.06 1.00 0.18 0.00 -1.64 0.00 0.00 178.16 177.75 1n4p h ALA 178 N 1.03 0.65 -0.41 0.00 0.00 -0.92 -1.10 119.26 118.51 1n4p h ALA 178 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1n4p h ALA 178 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1n4p h ALA 178 CO -0.02 0.08 0.27 0.77 0.00 0.00 0.00 179.25 180.36 1n4p h SER 179 N 0.69 0.47 -0.66 0.00 0.02 -0.86 -1.32 113.55 111.90 1n4p h SER 179 Ca 0.19 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1n4p h SER 179 Cb -0.07 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1n4p h SER 179 CO -0.05 0.34 0.26 0.00 -1.14 0.00 0.00 176.83 176.25 1n4p h ILE 181 N 0.99 1.04 -0.99 0.00 2.04 -0.82 -0.28 117.51 119.49 1n4p h ILE 181 Ca 0.23 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.58 1n4p h ILE 181 Cb 0.20 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 1n4p h ILE 181 CO -0.02 0.14 0.64 0.00 0.00 0.00 0.00 178.15 178.91 1n4p h TYR 183 N 1.17 0.39 -0.47 0.00 3.20 -0.95 0.62 116.97 120.93 1n4p h TYR 183 Ca 0.42 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 62.11 1n4p h TYR 183 Cb 0.14 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1n4p h TYR 183 CO -0.00 0.51 -0.18 0.52 -1.64 0.00 0.00 178.16 177.37 1n4p h MET 184 N 0.16 0.96 -0.01 1.82 2.86 -0.55 -1.41 114.93 118.76 1n4p h MET 184 Ca 0.07 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1n4p h MET 184 Cb 0.34 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1n4p h MET 184 CO 0.01 1.07 0.00 1.28 1.06 0.00 0.00 176.91 180.33 1n4p n LEU 185 N -4.16 0.16 -4.17 1.22 4.77 0.10 -4.89 117.00 110.04 1n4p n LEU 185 Ca -0.00 -0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 1n4p n LEU 185 Cb 0.44 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1n4p n LEU 185 CO 0.46 0.03 -0.38 -3.20 -1.33 0.00 0.00 177.39 172.97 1n4p n ASN 186 N -0.72 0.39 -3.44 -1.43 5.15 -0.13 -4.94 115.26 110.15 1n4p n ASN 186 Ca 0.16 -1.17 -0.00 0.00 -0.60 0.00 0.00 54.58 52.97 1n4p n ASN 186 Cb 0.10 -2.18 -0.04 0.00 -0.53 0.00 0.00 39.78 37.13 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 -4.37 -1.08 -0.11 1.20 3.84 0.02 -5.02 114.94 109.41 1n4p s ASN 187 Ca 0.01 1.18 0.09 0.00 0.21 0.00 0.00 52.86 54.34 1n4p s ASN 187 Cb -0.00 2.10 0.45 0.00 -0.55 0.00 0.00 41.25 43.26 1n4p s ASN 187 CO 0.95 -0.24 1.23 0.79 -2.79 0.00 0.00 177.10 177.04 1n4p n TRP 188 N 5.43 1.09 0.77 0.43 7.02 -1.26 -3.98 117.44 126.94 1n4p n TRP 188 Ca -0.07 -0.39 0.09 0.00 -1.02 0.00 0.00 57.50 56.11 1n4p n TRP 188 Cb 0.50 -0.28 0.44 0.00 -2.42 0.00 0.00 31.31 29.55 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 0.03 -0.99 3.41 -1.26 -2.66 113.62 112.57 1n4p n SER 189 Ca 0.16 0.31 0.09 0.00 -0.26 0.00 0.00 58.87 59.16 1n4p n SER 189 Cb 0.72 -0.42 0.38 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.44 -1.12 3.36 5.00 0.00 -1.26 -4.82 105.19 106.79 1n4p n GLY 190 Ca 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.07 1.13 -0.88 1.61 0.23 -1.09 -2.46 119.30 114.79 1n4p s MET 191 Ca 0.07 -0.85 -0.17 0.00 -1.03 0.00 0.00 55.69 53.71 1n4p s MET 191 Cb 0.10 0.45 0.17 0.00 -1.53 0.00 0.00 34.83 34.02 1n4p s MET 191 CO 0.32 -0.44 0.97 0.34 -2.03 0.00 0.00 175.02 174.18 1n4p s ASP 192 N -2.86 6.67 0.33 -1.18 3.68 -1.26 -4.90 116.67 117.15 1n4p s ASP 192 Ca 0.07 -2.29 0.08 0.00 2.13 0.00 0.00 52.55 52.54 1n4p s ASP 192 Cb 0.02 -2.32 0.80 0.00 -1.45 0.00 0.00 42.92 39.97 1n4p s ASP 192 CO -0.08 -0.86 1.79 -0.03 0.13 0.00 0.00 175.17 176.12 1n4p h MET 193 N 8.41 0.69 -0.38 4.34 1.85 -1.98 -1.55 114.93 126.31 1n4p h MET 193 Ca 0.12 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.18 1n4p h MET 193 Cb 1.03 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.89 1n4p h MET 193 CO 0.96 0.45 0.25 -0.22 -0.40 0.00 0.00 176.91 177.95 1n4p h LYS 194 N 0.71 0.50 -0.15 0.39 3.64 -2.00 -0.28 116.57 119.38 1n4p h LYS 194 Ca 0.56 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.79 1n4p h LYS 194 Cb 0.95 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1n4p h LYS 194 CO -0.34 0.33 -0.43 0.87 -2.27 0.00 0.00 179.45 177.62 1n4p h LYS 195 N 0.51 0.36 -0.22 1.90 1.57 -1.69 -2.02 116.57 116.98 1n4p h LYS 195 Ca 0.14 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1n4p h LYS 195 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1n4p h LYS 195 CO -0.03 0.72 0.01 0.00 -0.57 0.00 0.00 179.45 179.59 1n4p h ALA 196 N 1.26 0.30 -1.00 3.86 0.00 -0.96 -1.68 119.26 121.03 1n4p h ALA 196 Ca 0.02 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1n4p h ALA 196 Cb 0.88 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1n4p h ALA 196 CO 0.07 0.00 0.66 0.82 0.00 0.00 0.00 179.25 180.80 1n4p h ILE 197 N 0.16 1.21 -0.80 0.00 2.04 -0.96 -0.87 117.51 118.29 1n4p h ILE 197 Ca 0.06 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1n4p h ILE 197 Cb 0.37 -0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.20 1n4p h ILE 197 CO 0.01 0.24 0.52 -1.28 0.00 0.00 0.00 178.15 177.64 1n4p h SER 198 N 1.31 0.93 -0.46 1.72 0.87 -1.12 -0.66 113.55 116.14 1n4p h SER 198 Ca 0.38 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1n4p h SER 198 Cb -0.07 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 1n4p h SER 198 CO -0.10 0.68 0.22 0.22 -0.53 0.00 0.00 176.83 177.32 1n4p h TYR 199 N 1.09 0.65 -0.69 2.24 3.20 -0.25 -1.24 116.97 121.96 1n4p h TYR 199 Ca 0.29 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 1n4p h TYR 199 Cb -0.11 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 1n4p h TYR 199 CO -0.01 0.52 0.37 0.82 -1.64 0.00 0.00 178.16 178.22 1n4p h ILE 200 N 0.60 1.22 -0.19 1.81 2.04 -0.71 -2.50 117.51 119.77 1n4p h ILE 200 Ca 0.16 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1n4p h ILE 200 Cb 0.11 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 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 0.95 0.28 0.00 2.37 3.08 -0.87 -2.67 114.38 117.52 1n4p h ARG 201 Ca 0.24 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1n4p h ARG 201 Cb 0.05 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1n4p h ARG 201 CO -0.04 0.32 0.00 0.54 -1.07 0.00 0.00 179.97 179.72 1n4p n ARG 202 N -4.86 0.02 0.00 0.04 3.00 -0.49 -1.83 116.66 112.54 1n4p n ARG 202 Ca -0.04 0.34 0.12 0.00 -0.01 0.00 0.00 57.85 58.27 1n4p n ARG 202 Cb 0.11 -1.50 0.29 0.00 0.00 0.00 0.00 32.46 31.36 1n4p n ARG 202 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1n4p n SER 203 N -1.47 0.94 -4.70 0.55 3.41 -0.96 -3.86 113.62 107.54 1n4p n SER 203 Ca 0.02 -0.75 -0.42 0.00 -0.26 0.00 0.00 58.87 57.46 1n4p n SER 203 Cb 0.08 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.67 4.27 0.75 4.33 0.00 -0.76 -1.47 119.30 123.75 1n4p s MET 204 Ca 0.19 2.10 -0.09 0.00 0.00 0.00 0.00 55.69 57.90 1n4p s MET 204 Cb 0.19 -3.49 0.07 0.00 0.00 0.00 0.00 34.83 31.59 1n4p s MET 204 CO 0.59 -0.59 1.08 0.45 0.00 0.00 0.00 175.02 176.55 1n4p s SER 205 N 1.82 4.65 0.56 1.11 0.15 0.06 -4.88 113.70 117.18 1n4p s SER 205 Ca 0.67 0.54 0.34 0.00 0.70 0.00 0.00 55.95 58.20 1n4p s SER 205 Cb -0.35 -1.12 1.59 0.00 -1.71 0.00 0.00 66.02 64.43 1n4p s SER 205 CO 0.29 -1.74 2.08 0.10 1.20 0.00 0.00 173.24 175.17 1n4p h TYR 206 N -0.78 0.00 -0.17 3.44 -0.00 -1.94 -0.67 116.97 116.84 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 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.05 1n4p h TYR 206 CO 0.27 0.05 0.00 -0.40 -0.00 0.00 0.00 178.16 178.09 1n4p n ASP 207 N -3.26 1.71 0.00 0.10 3.85 -1.26 -4.94 116.55 112.75 1n4p n ASP 207 Ca -0.01 -1.72 0.00 0.00 -0.71 0.00 0.00 54.79 52.36 1n4p n ASP 207 Cb 0.25 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 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 0.36 -0.25 -4.65 -1.12 3.02 -0.26 -4.80 115.26 107.56 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 0.34 -0.04 0.11 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 1.76 -0.11 7.41 0.00 -1.26 -4.15 107.32 109.02 1n4p s GLY 209 Ca 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 42.91 1n4p s GLY 209 CO 0.00 -1.19 -0.00 1.08 0.00 0.00 0.00 173.10 172.99 1n4p s LEU 210 N -5.17 3.51 0.00 0.66 1.02 -1.26 -0.76 118.68 116.68 1n4p s LEU 210 Ca 0.67 0.06 0.06 0.00 0.02 0.00 0.00 54.13 54.94 1n4p s LEU 210 Cb -0.05 -1.82 0.06 0.00 0.02 0.00 0.00 46.19 44.40 1n4p s LEU 210 CO 0.45 0.30 0.46 0.00 0.02 0.00 0.00 176.35 177.58 1n4p n ALA 211 N 2.64 0.79 0.21 4.21 0.00 -0.54 -0.92 120.51 126.90 1n4p n ALA 211 Ca -0.18 -1.64 0.07 0.00 0.00 0.00 0.00 53.44 51.69 1n4p n ALA 211 Cb 0.53 0.57 0.48 0.00 0.00 0.00 0.00 19.45 21.03 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 -2.09 0.00 1.08 -1.88 -3.45 115.11 108.78 1n4p h GLN 212 Ca -0.24 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.18 1n4p h GLN 212 Cb 0.96 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.30 1n4p h GLN 212 CO 0.36 0.28 0.58 0.20 -0.95 0.00 0.00 178.83 179.30 1n4p s GLY 213 N -4.28 -0.28 0.19 3.46 0.00 -1.26 -2.22 107.32 102.92 1n4p s GLY 213 Ca -0.02 0.29 -0.33 0.00 0.00 0.00 0.00 44.72 44.66 1n4p s GLY 213 CO 0.66 0.04 1.25 0.00 0.00 0.00 0.00 173.10 175.05 1n4p n ALA 214 N -0.48 -0.20 0.00 3.20 0.00 -1.25 -1.98 120.51 119.80 1n4p n ALA 214 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1n4p n ALA 214 Cb 0.61 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 2.11 3.07 3.82 0.00 0.00 -1.26 -5.02 105.19 107.92 1n4p n GLY 215 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 2.52 0.09 0.99 2.01 -0.84 -4.99 118.68 118.46 1n4p s LEU 216 Ca 0.00 1.14 -0.31 0.00 0.01 0.00 0.00 54.13 54.98 1n4p s LEU 216 Cb 0.00 -3.72 -0.08 0.00 0.01 0.00 0.00 46.19 42.41 1n4p s LEU 216 CO 0.00 -1.97 1.44 -0.70 1.01 0.00 0.00 176.35 176.12 1n4p s GLU 217 N -5.26 4.29 0.55 1.70 2.12 -1.26 -4.68 118.70 116.15 1n4p s GLU 217 Ca 0.61 2.11 -0.21 0.00 0.36 0.00 0.00 54.97 57.83 1n4p s GLU 217 Cb -0.13 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 1n4p s GLU 217 CO 0.53 -0.51 1.31 -1.54 -0.54 0.00 0.00 175.26 174.51 1n4p s SER 218 N 1.41 5.31 -0.01 -1.70 1.04 -1.26 -4.33 113.70 114.16 1n4p s SER 218 Ca 0.66 2.65 -0.06 0.00 0.48 0.00 0.00 55.95 59.68 1n4p s SER 218 Cb -0.37 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.13 1n4p s SER 218 CO 0.30 -1.53 0.13 -2.28 0.98 0.00 0.00 173.24 170.83 1n4p s HIS 219 N -1.37 0.02 0.29 5.02 2.46 -0.10 -4.82 115.29 116.79 1n4p s HIS 219 Ca 0.72 -0.05 0.00 0.00 0.47 0.00 0.00 55.06 56.20 1n4p s HIS 219 Cb -0.38 -0.04 0.52 0.00 -0.13 0.00 0.00 32.58 32.56 1n4p s HIS 219 CO 0.44 -0.23 1.90 0.78 -2.47 0.00 0.00 174.74 175.15 1n4p h GLY 220 N 4.66 1.39 0.75 1.59 0.00 -0.05 0.16 103.07 111.56 1n4p h GLY 220 Ca -0.30 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 1n4p h GLY 220 CO 0.41 0.29 -0.02 -1.33 0.00 0.00 0.00 176.54 175.89 1n4p h GLY 221 N 1.04 -0.06 2.00 4.60 0.00 -1.91 -2.03 103.07 106.71 1n4p h GLY 221 Ca 0.41 0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.66 1n4p h GLY 221 CO -0.16 -0.02 -0.48 1.48 0.00 0.00 0.00 176.54 177.36 1n4p h SER 222 N -0.30 0.00 -0.57 0.19 4.64 -1.75 -1.86 113.55 113.90 1n4p h SER 222 Ca -0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1n4p h SER 222 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1n4p h SER 222 CO 0.01 0.48 0.13 0.74 -0.87 0.00 0.00 176.83 177.31 1n4p h THR 223 N 0.00 1.25 -0.16 2.95 2.02 -0.90 0.70 112.91 118.77 1n4p h THR 223 Ca -0.00 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 1n4p h THR 223 Cb 0.85 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1n4p h THR 223 CO 0.06 0.34 0.10 0.15 0.37 0.00 0.00 175.52 176.53 1n4p h PHE 224 N 0.82 0.21 -0.81 3.16 3.57 -1.05 -0.54 116.94 122.31 1n4p h PHE 224 Ca 0.18 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1n4p h PHE 224 Cb 0.36 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 1n4p h PHE 224 CO 0.03 0.18 0.50 0.00 -2.23 0.00 0.00 178.31 176.79 1n4p h GLY 226 N 0.94 -0.47 0.94 0.00 0.00 -0.62 -1.69 103.07 102.16 1n4p h GLY 226 Ca 0.34 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.86 1n4p h GLY 226 CO -0.15 -0.17 0.34 -2.22 0.00 0.00 0.00 176.54 174.34 1n4p h ILE 227 N -0.85 1.10 -0.62 2.60 1.08 -0.98 -1.77 117.51 118.07 1n4p h ILE 227 Ca -0.05 -0.24 -0.06 0.00 -0.39 0.00 0.00 64.86 64.13 1n4p h ILE 227 Cb 0.53 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 1n4p h ILE 227 CO 0.08 0.13 0.16 0.00 -0.69 0.00 0.00 178.15 177.82 1n4p h ALA 228 N 1.22 1.12 -0.26 1.87 0.00 -0.49 -1.21 119.26 121.52 1n4p h ALA 228 Ca 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n4p h ALA 228 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1n4p h ALA 228 CO -0.07 0.59 0.15 0.77 0.00 0.00 0.00 179.25 180.70 1n4p h SER 229 N 0.92 0.31 -0.66 0.00 0.02 -0.86 0.15 113.55 113.43 1n4p h SER 229 Ca 0.20 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1n4p h SER 229 Cb 0.31 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1n4p h SER 229 CO -0.00 0.28 0.35 -0.07 -1.14 0.00 0.00 176.83 176.24 1n4p h LEU 230 N 0.32 0.86 -0.47 5.07 3.38 -0.97 -0.94 115.31 122.55 1n4p h LEU 230 Ca 0.09 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1n4p h LEU 230 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1n4p h LEU 230 CO -0.02 0.72 -0.10 0.00 0.09 0.00 0.00 178.44 179.13 1n4p h LEU 232 N 0.75 0.28 0.00 0.00 4.07 -0.42 0.25 115.31 120.24 1n4p h LEU 232 Ca 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1n4p h LEU 232 Cb 0.65 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1n4p h LEU 232 CO 0.04 0.30 -0.24 0.23 -1.08 0.00 0.00 178.44 177.69 1n4p n MET 233 N -4.40 0.21 -3.00 1.13 2.81 -0.41 -4.94 117.12 108.52 1n4p n MET 233 Ca 0.00 0.12 -0.12 0.00 -1.81 0.00 0.00 57.70 55.90 1n4p n MET 233 Cb 0.16 -1.70 0.04 0.00 -0.71 0.00 0.00 33.22 31.01 1n4p n MET 233 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n4p n GLY 234 N 1.36 0.12 0.70 3.03 0.00 0.41 -4.95 105.19 105.86 1n4p n GLY 234 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.84 0.23 0.36 1.61 5.02 -0.10 -4.89 118.16 117.54 1n4p n LYS 235 Ca -0.04 -1.54 -0.19 0.00 -2.02 0.00 0.00 58.31 54.53 1n4p n LYS 235 Cb 0.55 -0.55 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 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 0.29 -1.27 -1.00 -0.35 6.46 -1.91 -0.70 115.31 116.84 1n4p h LEU 236 Ca -0.06 0.09 0.11 0.00 -0.12 0.00 0.00 57.88 57.90 1n4p h LEU 236 Cb 1.46 0.40 -0.08 0.00 -0.73 0.00 0.00 40.66 41.70 1n4p h LEU 236 CO 0.02 -0.69 0.63 -0.33 -0.62 0.00 0.00 178.44 177.45 1n4p h GLU 237 N -1.08 0.98 -0.18 1.25 4.39 -1.90 -1.90 114.58 116.14 1n4p h GLU 237 Ca -0.08 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.43 1n4p h GLU 237 Cb 0.90 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1n4p h GLU 237 CO 0.02 0.65 -0.43 1.49 -1.16 0.00 0.00 179.01 179.58 1n4p h GLU 238 N 1.01 0.44 0.21 2.33 4.81 -1.85 -3.33 114.58 118.19 1n4p h GLU 238 Ca 0.49 -0.23 -0.35 0.00 -0.13 0.00 0.00 59.36 59.14 1n4p h GLU 238 Cb 0.45 0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.85 1n4p h GLU 238 CO -0.25 0.79 -1.66 0.28 -0.73 0.00 0.00 179.01 177.43 1n4p h VAL 239 N 0.36 1.04 -3.73 0.32 2.07 -0.59 -3.46 116.25 112.26 1n4p h VAL 239 Ca 0.03 -2.56 -0.68 0.00 0.82 0.00 0.00 66.70 64.31 1n4p h VAL 239 Cb 0.90 2.85 -0.22 0.00 -1.52 0.00 0.00 31.29 33.29 1n4p h VAL 239 CO 0.08 0.84 -0.74 -0.36 0.02 0.00 0.00 177.57 177.41 1n4p s PHE 240 N -2.58 2.82 0.88 1.57 2.99 -0.76 -5.08 117.98 117.82 1n4p s PHE 240 Ca -0.14 -0.20 -0.12 0.00 0.00 0.00 0.00 56.93 56.47 1n4p s PHE 240 Cb 0.05 -1.72 0.12 0.00 0.00 0.00 0.00 43.02 41.47 1n4p s PHE 240 CO 0.88 0.15 1.11 -1.54 -0.00 0.00 0.00 175.22 175.82 1n4p s SER 241 N -0.48 3.69 0.23 1.36 1.04 -1.26 -4.62 113.70 113.66 1n4p s SER 241 Ca 0.06 1.18 -0.08 0.00 0.48 0.00 0.00 55.95 57.59 1n4p s SER 241 Cb -0.12 -1.83 0.20 0.00 0.10 0.00 0.00 66.02 64.37 1n4p s SER 241 CO 0.02 -2.46 1.89 -0.08 0.98 0.00 0.00 173.24 173.59 1n4p h GLU 242 N -1.43 1.18 -0.53 4.02 4.81 -1.99 0.52 114.58 121.16 1n4p h GLU 242 Ca -0.50 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1n4p h GLU 242 Cb 1.30 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1n4p h GLU 242 CO 0.59 0.80 0.33 -0.22 -0.73 0.00 0.00 179.01 179.79 1n4p h LYS 243 N 1.20 0.72 -0.18 1.92 1.63 -1.99 -0.72 116.57 119.14 1n4p h LYS 243 Ca 0.32 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1n4p h LYS 243 Cb -0.10 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.37 1n4p h LYS 243 CO -0.06 0.50 0.07 0.93 -3.45 0.00 0.00 179.45 177.44 1n4p h GLU 244 N 0.72 0.28 -0.07 1.90 5.08 -1.73 -2.07 114.58 118.68 1n4p h GLU 244 Ca 0.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1n4p h GLU 244 Cb -0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1n4p h GLU 244 CO -0.04 0.35 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.24 1n4p h LEU 245 N 0.14 0.09 -0.52 1.33 3.38 -0.67 -0.53 115.31 118.54 1n4p h LEU 245 Ca 0.06 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1n4p h LEU 245 Cb 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1n4p h LEU 245 CO -0.00 0.13 -0.47 0.78 0.09 0.00 0.00 178.44 178.96 1n4p h ASN 246 N 0.10 0.73 -0.43 -0.43 2.35 -0.75 -0.39 115.58 116.77 1n4p h ASN 246 Ca 0.03 -0.36 -0.12 0.00 -0.55 0.00 0.00 56.30 55.30 1n4p h ASN 246 Cb 0.10 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1n4p h ASN 246 CO 0.00 1.09 -0.19 0.03 -1.65 0.00 0.00 177.43 176.71 1n4p h ARG 247 N 0.54 0.93 -0.16 0.81 3.08 -0.57 -1.07 114.38 117.94 1n4p h ARG 247 Ca 0.03 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1n4p h ARG 247 Cb 1.01 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1n4p h ARG 247 CO 0.10 1.04 -0.01 0.82 -1.07 0.00 0.00 179.97 180.84 1n4p h ILE 248 N 0.81 1.26 -0.73 2.04 2.04 -1.03 -1.83 117.51 120.08 1n4p h ILE 248 Ca 0.11 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.18 1n4p h ILE 248 Cb 0.74 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 38.28 1n4p h ILE 248 CO 0.06 0.26 0.37 0.11 0.00 0.00 0.00 178.15 178.95 1n4p h LYS 249 N 0.03 0.59 -0.62 2.37 1.57 -0.94 0.35 116.57 119.93 1n4p h LYS 249 Ca 0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1n4p h LYS 249 Cb 0.41 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1n4p h LYS 249 CO 0.01 0.39 0.37 -0.09 -0.57 0.00 0.00 179.45 179.57 1n4p h ARG 250 N 0.61 0.84 -0.22 3.15 9.65 -1.00 -0.38 114.38 127.02 1n4p h ARG 250 Ca 0.36 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.15 1n4p h ARG 250 Cb 0.40 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1n4p h ARG 250 CO -0.28 0.60 0.08 2.35 2.80 0.00 0.00 179.97 185.52 1n4p h TRP 251 N 0.84 0.33 -0.10 2.20 7.01 -0.35 -2.56 115.95 123.32 1n4p h TRP 251 Ca 0.22 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.19 1n4p h TRP 251 Cb -0.03 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 26.93 1n4p h TRP 251 CO -0.02 0.38 0.04 0.00 -2.79 0.00 0.00 178.44 176.06 1n4p h ILE 253 N 0.02 0.00 0.00 0.00 2.10 -1.07 -1.34 117.51 117.23 1n4p h ILE 253 Ca 0.03 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.72 1n4p h ILE 253 Cb 0.13 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 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 -2.51 0.01 0.26 2.19 2.81 -0.97 -3.29 117.12 115.63 1n4p n MET 254 Ca 0.01 0.05 0.15 0.00 -1.81 0.00 0.00 57.70 56.10 1n4p n MET 254 Cb 0.21 -1.50 0.50 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 -6.39 0.03 2.47 -1.27 -3.44 114.38 105.78 1n4p h ARG 255 Ca 0.00 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.18 1n4p h ARG 255 Cb 0.44 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 1n4p h ARG 255 CO 0.00 0.00 0.51 -1.14 0.56 0.00 0.00 179.97 179.90 1n4p s GLN 256 N -3.51 4.47 -0.07 0.04 0.74 -1.21 -2.44 119.66 117.69 1n4p s GLN 256 Ca 0.03 1.55 0.02 0.00 0.05 0.00 0.00 55.36 57.01 1n4p s GLN 256 Cb 0.08 -3.46 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 1n4p s GLN 256 CO 0.59 -0.21 -0.05 1.04 -0.55 0.00 0.00 175.29 176.11 1n4p n GLN 257 N 4.31 0.83 0.10 1.67 1.13 -1.26 -4.96 117.38 119.19 1n4p n GLN 257 Ca 0.08 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1n4p n GLN 257 Cb 0.49 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 29.69 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 -1.82 -0.46 1.08 0.23 -1.26 -5.07 115.26 105.36 1n4p n ASN 258 Ca -0.12 0.56 0.00 0.00 -0.53 0.00 0.00 54.58 54.49 1n4p n ASN 258 Cb 0.65 1.92 0.00 0.00 -2.08 0.00 0.00 39.78 40.26 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 -1.32 1.72 3.33 4.83 0.00 -1.26 -2.29 105.19 110.20 1n4p n GLY 259 Ca 0.00 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 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 1.72 2.19 0.36 1.61 1.51 -1.26 -4.43 117.35 119.04 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 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 1n4p s TYR 260 CO 0.00 0.17 0.28 -3.38 -1.11 0.00 0.00 175.55 171.51 1n4p s HIS 261 N -0.88 2.82 -0.33 2.71 -3.43 -1.02 -1.13 115.29 114.02 1n4p s HIS 261 Ca 0.11 -0.37 0.22 0.00 -0.80 0.00 0.00 55.06 54.22 1n4p s HIS 261 Cb -0.10 -1.85 0.18 0.00 -1.43 0.00 0.00 32.58 29.38 1n4p s HIS 261 CO 0.03 0.15 1.37 0.78 -2.00 0.00 0.00 174.74 175.07 1n4p h GLY 262 N 1.26 0.00 -3.52 -1.38 0.00 -1.86 -3.45 103.07 94.12 1n4p h GLY 262 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1n4p h GLY 262 CO 0.59 0.00 0.26 1.09 0.00 0.00 0.00 176.54 178.49 1n4p s ARG 263 N -3.22 1.09 0.22 4.80 1.70 -1.26 0.67 118.95 122.95 1n4p s ARG 263 Ca 0.04 -0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 54.87 1n4p s ARG 263 Cb 0.07 0.51 -0.16 0.00 -0.57 0.00 0.00 34.95 34.80 1n4p s ARG 263 CO 0.72 -0.42 0.86 -2.30 -1.08 0.00 0.00 175.30 173.08 1n4p n PRO 264 N 0.20 0.74 -1.97 3.89 -0.02 -1.26 -2.30 135.00 134.28 1n4p n PRO 264 Ca -0.16 0.26 -0.20 0.00 -2.02 0.00 0.00 63.50 61.38 1n4p n PRO 264 Cb 0.61 -1.52 -0.05 0.00 -0.02 0.00 0.00 33.50 32.52 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 1.67 -5.51 -4.41 2.55 3.02 -1.26 -5.01 115.26 106.30 1n4p n ASN 265 Ca 0.14 0.24 -0.29 0.00 -0.03 0.00 0.00 54.58 54.64 1n4p n ASN 265 Cb 0.27 -4.65 -0.13 0.00 -0.61 0.00 0.00 39.78 34.66 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 1.49 0.63 3.52 -0.14 -0.97 -5.12 119.74 114.82 1n4p s LYS 266 Ca 0.00 -1.31 -0.18 0.00 -1.36 0.00 0.00 55.97 53.12 1n4p s LYS 266 Cb 0.00 -1.95 -0.02 0.00 -1.68 0.00 0.00 37.83 34.19 1n4p s LYS 266 CO 0.00 0.46 1.23 -1.25 -0.76 0.00 0.00 175.35 175.03 1n4p s PRO 267 N -2.08 2.72 0.64 -1.68 0.04 -1.26 -4.76 135.00 128.61 1n4p s PRO 267 Ca 0.15 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 1n4p s PRO 267 Cb -0.10 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1n4p s PRO 267 CO 0.07 -1.42 1.09 0.14 0.04 0.00 0.00 177.00 176.93 1n4p s VAL 268 N -1.61 3.42 -0.10 -0.36 -7.23 -1.26 -4.48 120.40 108.77 1n4p s VAL 268 Ca 0.78 0.66 -0.05 0.00 -1.81 0.00 0.00 61.98 61.57 1n4p s VAL 268 Cb -0.32 -3.19 0.05 0.00 0.56 0.00 0.00 36.38 33.48 1n4p s VAL 268 CO 0.37 -0.41 0.23 -0.62 -0.31 0.00 0.00 175.10 174.37 1n4p s ASP 269 N -2.65 -0.17 0.33 4.85 -1.08 -0.28 -4.83 116.67 112.84 1n4p s ASP 269 Ca 0.66 0.49 0.07 0.00 -0.52 0.00 0.00 52.55 53.25 1n4p s ASP 269 Cb -0.19 0.39 0.92 0.00 -1.46 0.00 0.00 42.92 42.59 1n4p s ASP 269 CO 0.40 -0.17 1.57 0.74 0.52 0.00 0.00 175.17 178.23 1n4p h THR 270 N 5.95 0.01 -0.08 1.71 2.02 -1.63 -0.32 112.91 120.57 1n4p h THR 270 Ca -0.38 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.82 1n4p h THR 270 Cb 1.15 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1n4p h THR 270 CO 0.36 0.00 0.08 0.00 0.37 0.00 0.00 175.52 176.33 1n4p h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.28 -1.05 116.97 114.68 1n4p h TYR 272 Ca 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1n4p h TYR 272 Cb 0.20 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 1n4p h TYR 272 CO 0.00 0.00 -0.05 0.77 -1.05 0.00 0.00 178.16 177.83 1n4p h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.19 0.38 113.55 116.64 1n4p h SER 273 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1n4p h SER 273 Cb 0.42 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1n4p h SER 273 CO 0.00 0.05 -1.55 0.33 -1.14 0.00 0.00 176.83 174.52 1n4p n PHE 274 N -3.74 0.35 -0.07 3.45 7.35 -0.47 -3.13 117.46 121.21 1n4p n PHE 274 Ca -0.03 0.15 -0.11 0.00 -0.76 0.00 0.00 57.45 56.71 1n4p n PHE 274 Cb 0.14 -0.85 -0.05 0.00 0.35 0.00 0.00 39.48 39.07 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 -1.21 0.10 -5.13 -0.00 -1.25 0.91 115.95 108.37 1n4p h TRP 275 Ca -0.33 0.06 -0.19 0.00 -0.00 0.00 0.00 58.89 58.43 1n4p h TRP 275 Cb 1.21 0.57 0.02 0.00 -0.00 0.00 0.00 29.16 30.96 1n4p h TRP 275 CO -0.17 -0.45 -0.81 0.28 -0.00 0.00 0.00 178.44 177.29 1n4p h VAL 276 N -0.39 1.46 -0.73 1.49 2.07 -1.16 -3.07 116.25 115.92 1n4p h VAL 276 Ca 0.11 -2.40 0.06 0.00 0.82 0.00 0.00 66.70 65.30 1n4p h VAL 276 Cb 0.60 2.98 -0.06 0.00 -1.52 0.00 0.00 31.29 33.29 1n4p h VAL 276 CO -0.49 0.69 0.42 1.23 0.02 0.00 0.00 177.57 179.44 1n4p h GLY 277 N -0.22 1.09 1.68 2.17 0.00 -1.36 0.19 103.07 106.61 1n4p h GLY 277 Ca -0.13 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1n4p h GLY 277 CO 0.15 0.18 -0.21 0.00 0.00 0.00 0.00 176.54 176.67 1n4p h ALA 278 N 1.37 1.25 -0.21 3.60 0.00 0.75 -0.44 119.26 125.58 1n4p h ALA 278 Ca 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1n4p h ALA 278 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n4p h ALA 278 CO -0.19 0.49 -0.00 1.15 0.00 0.00 0.00 179.25 180.70 1n4p h THR 279 N 0.35 1.26 -0.83 0.00 2.02 -1.12 -0.63 112.91 113.95 1n4p h THR 279 Ca 0.06 -0.89 0.03 0.00 0.77 0.00 0.00 66.41 66.38 1n4p h THR 279 Cb 0.56 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.36 1n4p h THR 279 CO 0.04 0.27 0.55 -0.07 0.37 0.00 0.00 175.52 176.68 1n4p h LEU 280 N 0.13 0.91 -0.53 2.58 3.38 -0.63 -0.24 115.31 120.92 1n4p h LEU 280 Ca 0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1n4p h LEU 280 Cb 0.40 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1n4p h LEU 280 CO 0.01 0.64 0.18 0.50 0.09 0.00 0.00 178.44 179.87 1n4p h LYS 281 N 1.07 0.81 -0.02 1.13 1.63 -0.67 -1.01 116.57 119.52 1n4p h LYS 281 Ca 0.32 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 1n4p h LYS 281 Cb -0.02 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 1n4p h LYS 281 CO -0.09 0.73 -0.28 -0.07 -3.45 0.00 0.00 179.45 176.29 1n4p h LEU 282 N 0.72 0.03 -1.28 5.20 3.38 -0.13 -1.42 115.31 121.80 1n4p h LEU 282 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1n4p h LEU 282 Cb 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1n4p h LEU 282 CO -0.01 0.31 0.00 0.18 0.09 0.00 0.00 178.44 179.01 1n4p n LEU 283 N -4.19 1.87 -2.71 1.67 4.77 -0.19 -4.93 117.00 113.28 1n4p n LEU 283 Ca -0.02 -0.92 -0.20 0.00 -0.03 0.00 0.00 56.01 54.84 1n4p n LEU 283 Cb 0.34 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1n4p n LEU 283 CO 0.38 0.46 -0.14 0.29 -1.33 0.00 0.00 177.39 177.05 1n4p n LYS 284 N 0.51 -3.08 -0.14 3.23 4.01 -0.53 -4.87 118.16 117.29 1n4p n LYS 284 Ca 0.13 0.87 0.01 0.00 -0.51 0.00 0.00 58.31 58.81 1n4p n LYS 284 Cb 0.30 -5.60 0.02 0.00 -0.51 0.00 0.00 35.03 29.24 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 -4.10 0.49 0.21 -0.18 -5.35 -0.49 -4.74 119.36 105.20 1n4p n ILE 285 Ca -0.16 -0.54 0.04 0.00 -0.27 0.00 0.00 62.75 61.82 1n4p n ILE 285 Cb 0.64 0.58 0.45 0.00 -1.74 0.00 0.00 39.64 39.58 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 -0.04 4.28 3.57 -1.82 -1.87 116.94 121.07 1n4p h PHE 286 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1n4p h PHE 286 Cb 1.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1n4p h PHE 286 CO 0.03 0.25 0.10 -0.56 -2.23 0.00 0.00 178.31 175.90 1n4p h GLN 287 N 0.00 0.00 -0.25 1.11 3.07 -1.89 -1.33 115.11 115.82 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 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1n4p h GLN 287 CO 0.03 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.61 1n4p n TYR 288 N -3.30 0.32 -2.22 0.06 0.53 -0.70 -4.93 117.16 106.93 1n4p n TYR 288 Ca -0.02 -0.16 -0.26 0.00 -1.02 0.00 0.00 57.90 56.44 1n4p n TYR 288 Cb 0.18 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.57 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 -1.68 2.27 -0.48 -0.72 -4.23 -0.50 -5.02 115.64 105.29 1n4p s THR 289 Ca 0.35 -0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.35 1n4p s THR 289 Cb 0.20 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1n4p s THR 289 CO 0.29 0.00 0.76 0.21 -0.54 0.00 0.00 174.62 175.34 1n4p s ASN 290 N -4.54 6.35 0.03 3.99 3.84 -1.26 -4.95 114.94 118.41 1n4p s ASN 290 Ca 0.61 -0.33 -0.22 0.00 0.21 0.00 0.00 52.86 53.13 1n4p s ASN 290 Cb -0.10 -2.37 -0.15 0.00 -0.55 0.00 0.00 41.25 38.08 1n4p s ASN 290 CO 0.45 -0.94 1.37 -0.26 -2.79 0.00 0.00 177.10 174.93 1n4p h PHE 291 N 9.03 0.29 -0.22 0.43 0.05 -1.95 -3.19 116.94 121.38 1n4p h PHE 291 Ca -0.26 -0.08 0.03 0.00 3.82 0.00 0.00 57.97 61.49 1n4p h PHE 291 Cb 1.09 -0.07 -0.03 0.00 2.00 0.00 0.00 35.95 38.94 1n4p h PHE 291 CO 0.80 0.61 0.03 0.93 -0.18 0.00 0.00 178.31 180.50 1n4p h GLU 292 N -0.11 0.11 -0.46 1.51 4.39 -1.97 0.84 114.58 118.88 1n4p h GLU 292 Ca 0.02 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1n4p h GLU 292 Cb 0.54 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1n4p h GLU 292 CO 0.02 0.07 0.11 0.87 -1.16 0.00 0.00 179.01 178.92 1n4p h LYS 293 N 0.11 0.70 0.08 2.33 1.57 -1.85 0.15 116.57 119.65 1n4p h LYS 293 Ca 0.10 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1n4p h LYS 293 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1n4p h LYS 293 CO -0.15 0.63 -0.04 -0.97 -0.57 0.00 0.00 179.45 178.36 1n4p h ASN 294 N 0.68 -0.09 -0.44 0.86 -1.24 -1.02 -1.77 115.58 112.57 1n4p h ASN 294 Ca 0.15 -0.35 0.04 0.00 0.71 0.00 0.00 56.30 56.85 1n4p h ASN 294 Cb 0.25 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.29 1n4p h ASN 294 CO -0.00 0.32 0.20 -0.09 -1.29 0.00 0.00 177.43 176.57 1n4p h ARG 295 N -0.51 0.39 -0.89 6.67 2.43 -0.61 -1.32 114.38 120.54 1n4p h ARG 295 Ca -0.01 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1n4p h ARG 295 Cb 0.44 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1n4p h ARG 295 CO 0.02 0.26 0.58 -0.91 -1.51 0.00 0.00 179.97 178.41 1n4p h ASN 296 N 0.41 1.00 0.06 -3.80 2.35 -0.69 -1.45 115.58 113.46 1n4p h ASN 296 Ca 0.19 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1n4p h ASN 296 Cb 0.12 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1n4p h ASN 296 CO -0.15 0.71 -0.03 0.22 -1.65 0.00 0.00 177.43 176.53 1n4p h TYR 297 N 1.18 -0.08 -0.37 1.19 3.20 -0.65 -1.66 116.97 119.78 1n4p h TYR 297 Ca 0.33 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.28 1n4p h TYR 297 Cb -0.10 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.12 1n4p h TYR 297 CO -0.01 0.14 -0.10 0.82 -1.64 0.00 0.00 178.16 177.37 1n4p h ILE 298 N -0.29 0.61 0.00 1.81 2.04 -1.02 -0.35 117.51 120.30 1n4p h ILE 298 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1n4p h ILE 298 Cb 0.26 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1n4p h ILE 298 CO 0.01 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 177.98 1n4p h LEU 299 N -0.01 0.00 -0.37 1.44 3.38 -1.20 -1.25 115.31 117.30 1n4p h LEU 299 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1n4p h LEU 299 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1n4p h LEU 299 CO -0.39 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 176.71 1n4p n SER 300 N -4.37 0.31 -1.10 -0.43 3.41 -0.15 -1.69 113.62 109.60 1n4p n SER 300 Ca -0.03 0.58 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 1n4p n SER 300 Cb 0.18 -0.65 0.25 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.85 0.91 -2.61 6.66 -2.24 -0.48 -4.33 114.28 110.34 1n4p n THR 301 Ca 0.02 -0.96 -0.41 0.00 -2.27 0.00 0.00 64.05 60.43 1n4p n THR 301 Cb 0.18 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.06 4.59 -0.57 -0.78 0.74 -0.68 -0.93 119.66 120.97 1n4p s GLN 302 Ca 0.39 1.57 -0.20 0.00 0.05 0.00 0.00 55.36 57.17 1n4p s GLN 302 Cb 0.21 -3.37 0.07 0.00 1.10 0.00 0.00 33.01 31.02 1n4p s GLN 302 CO 0.28 0.03 0.77 0.34 -0.55 0.00 0.00 175.29 176.15 1n4p s ASP 303 N 0.42 6.21 0.38 6.67 -1.08 -0.50 -4.91 116.67 123.87 1n4p s ASP 303 Ca 0.51 -1.02 0.27 0.00 -0.52 0.00 0.00 52.55 51.79 1n4p s ASP 303 Cb -0.25 -2.34 1.25 0.00 -1.46 0.00 0.00 42.92 40.11 1n4p s ASP 303 CO 0.30 -1.13 1.83 0.03 0.52 0.00 0.00 175.17 176.72 1n4p h ARG 304 N 9.22 0.00 0.00 4.34 3.08 -1.88 0.17 114.38 129.30 1n4p h ARG 304 Ca -0.28 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.64 1n4p h ARG 304 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1n4p h ARG 304 CO 1.07 0.00 -1.05 -0.11 -1.07 0.00 0.00 179.97 178.81 1n4p n LEU 305 N -2.51 1.86 0.01 3.04 -0.00 -1.26 -4.64 117.00 113.50 1n4p n LEU 305 Ca 0.01 0.49 0.11 0.00 -0.00 0.00 0.00 56.01 56.62 1n4p n LEU 305 Cb 0.19 -0.88 -0.05 0.00 -0.00 0.00 0.00 43.42 42.68 1n4p n LEU 305 CO 0.19 -0.09 -0.17 1.33 -0.00 0.00 0.00 177.39 178.65 1n4p n VAL 306 N -4.50 0.10 0.00 1.96 0.24 -1.24 -5.09 118.33 109.80 1n4p n VAL 306 Ca -0.21 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1n4p n VAL 306 Cb 0.50 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 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 1.37 -0.14 0.35 7.63 0.00 0.58 -4.48 105.19 110.50 1n4p n GLY 307 Ca 0.01 -1.90 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 -0.26 -1.72 3.36 -0.02 0.00 -1.26 -4.33 105.19 100.96 1n4p n GLY 308 Ca 0.00 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.74 1.82 0.47 1.61 0.40 -1.26 -1.40 117.98 117.88 1n4p s PHE 309 Ca 0.00 -0.51 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1n4p s PHE 309 Cb 0.00 -0.84 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 1n4p s PHE 309 CO 0.00 0.41 0.13 0.00 0.70 0.00 0.00 175.22 176.47 1n4p s ALA 310 N -2.74 3.82 0.13 5.36 0.00 -0.11 -2.46 121.76 125.76 1n4p s ALA 310 Ca 0.23 -1.46 -0.09 0.00 0.00 0.00 0.00 51.96 50.63 1n4p s ALA 310 Cb -0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 1n4p s ALA 310 CO 0.08 -0.16 1.37 1.57 0.00 0.00 0.00 175.76 178.62 1n4p h LYS 311 N 1.35 0.71 -5.38 0.00 2.10 -1.88 -3.41 116.57 110.07 1n4p h LYS 311 Ca -0.42 -0.54 -0.40 0.00 -2.00 0.00 0.00 60.65 57.28 1n4p h LYS 311 Cb 1.28 0.10 -0.14 0.00 -0.90 0.00 0.00 32.23 32.57 1n4p h LYS 311 CO 0.71 1.16 -0.72 -1.58 -2.00 0.00 0.00 179.45 177.02 1n4p s TRP 312 N -3.81 1.55 0.51 0.07 0.51 -1.26 -1.99 118.94 114.52 1n4p s TRP 312 Ca -0.09 -0.65 -0.22 0.00 -2.12 0.00 0.00 56.10 53.02 1n4p s TRP 312 Cb 0.09 -0.75 -0.06 0.00 -0.81 0.00 0.00 33.47 31.95 1n4p s TRP 312 CO 0.88 0.25 1.24 -1.25 -0.51 0.00 0.00 176.95 177.57 1n4p s PRO 313 N -3.69 3.43 -1.52 4.98 0.04 -1.26 -2.61 135.00 134.37 1n4p s PRO 313 Ca 0.21 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 1n4p s PRO 313 Cb 0.01 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1n4p s PRO 313 CO 0.05 -0.88 0.11 -0.40 0.04 0.00 0.00 177.00 175.92 1n4p n ASP 314 N -0.83 -5.37 -4.53 6.66 5.68 -1.26 -5.00 116.55 111.91 1n4p n ASP 314 Ca 0.09 -0.07 -0.24 0.00 -0.50 0.00 0.00 54.79 54.07 1n4p n ASP 314 Cb 0.47 -4.39 -0.10 0.00 -1.14 0.00 0.00 41.12 35.97 1n4p n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1n4p s SER 315 N -2.29 3.81 0.17 -1.12 0.15 -1.07 -5.11 113.70 108.23 1n4p s SER 315 Ca 0.06 -1.01 -0.30 0.00 0.70 0.00 0.00 55.95 55.39 1n4p s SER 315 Cb -0.02 -0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 63.81 1n4p s SER 315 CO 0.07 -0.05 1.12 -1.00 1.20 0.00 0.00 173.24 174.58 1n4p s HIS 316 N -2.51 3.56 0.64 3.44 4.02 -1.26 -4.70 115.29 118.48 1n4p s HIS 316 Ca 0.31 1.56 -0.13 0.00 1.02 0.00 0.00 55.06 57.82 1n4p s HIS 316 Cb -0.03 -3.31 -0.02 0.00 -1.02 0.00 0.00 32.58 28.21 1n4p s HIS 316 CO 0.16 -0.73 1.05 -1.25 1.02 0.00 0.00 174.74 175.00 1n4p s PRO 317 N -0.26 3.19 0.12 8.40 0.04 -1.26 -4.58 135.00 140.65 1n4p s PRO 317 Ca 0.50 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 1n4p s PRO 317 Cb -0.30 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1n4p s PRO 317 CO 0.35 -0.90 0.29 0.16 0.04 0.00 0.00 177.00 176.93 1n4p s ASP 318 N -3.36 -0.02 0.27 6.66 1.47 -1.03 -4.96 116.67 115.71 1n4p s ASP 318 Ca 0.60 -0.60 -0.00 0.00 1.18 0.00 0.00 52.55 53.72 1n4p s ASP 318 Cb -0.14 0.41 0.50 0.00 -0.34 0.00 0.00 42.92 43.35 1n4p s ASP 318 CO 0.46 -0.82 1.84 0.00 0.68 0.00 0.00 175.17 177.33 1n4p h ALA 319 N 2.56 1.44 -0.06 2.11 0.00 -1.97 -1.09 119.26 122.26 1n4p h ALA 319 Ca -0.33 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1n4p h ALA 319 Cb 1.22 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1n4p h ALA 319 CO 0.51 0.27 0.01 1.25 0.00 0.00 0.00 179.25 181.28 1n4p h LEU 320 N 1.02 0.10 -0.87 0.00 6.46 -1.95 -1.45 115.31 118.61 1n4p h LEU 320 Ca 0.47 -0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1n4p h LEU 320 Cb 0.39 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1n4p h LEU 320 CO -0.24 0.35 -0.24 0.45 -0.62 0.00 0.00 178.44 178.14 1n4p h HIS 321 N -0.15 0.00 -0.14 1.25 3.86 -1.74 -1.49 115.15 116.73 1n4p h HIS 321 Ca 0.02 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1n4p h HIS 321 Cb 0.29 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1n4p h HIS 321 CO 0.02 0.24 -0.23 0.00 0.86 0.00 0.00 177.93 178.82 1n4p h ALA 322 N 1.76 0.22 -0.08 2.45 0.00 -1.11 -0.09 119.26 122.42 1n4p h ALA 322 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1n4p h ALA 322 Cb 0.85 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1n4p h ALA 322 CO 0.03 0.18 0.02 -0.92 0.00 0.00 0.00 179.25 178.56 1n4p h TYR 323 N 0.01 0.13 0.00 0.00 3.20 -1.12 -2.29 116.97 116.90 1n4p h TYR 323 Ca 0.01 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1n4p h TYR 323 Cb 0.80 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1n4p h TYR 323 CO 0.10 0.29 -0.39 0.74 -1.64 0.00 0.00 178.16 177.26 1n4p h PHE 324 N -0.07 0.00 -0.39 -3.82 0.05 -1.32 -0.10 116.94 111.29 1n4p h PHE 324 Ca 0.02 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 61.68 1n4p h PHE 324 Cb 0.23 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.17 1n4p h PHE 324 CO 0.00 0.39 -0.30 0.78 -0.18 0.00 0.00 178.31 179.00 1n4p h GLY 325 N 2.04 0.93 1.00 -1.45 0.00 -0.93 0.11 103.07 104.76 1n4p h GLY 325 Ca -0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 47.33 46.33 1n4p h GLY 325 CO 0.05 0.79 -0.26 -2.22 0.00 0.00 0.00 176.54 174.91 1n4p h ILE 326 N 0.72 1.29 0.00 2.60 2.04 -1.02 -1.05 117.51 122.09 1n4p h ILE 326 Ca 0.08 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.47 1n4p h ILE 326 Cb 0.86 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1n4p h ILE 326 CO 0.08 0.46 -0.31 0.00 0.00 0.00 0.00 178.15 178.37 1n4p h GLY 328 N 0.95 0.72 1.02 0.00 0.00 -0.43 -2.18 103.07 103.14 1n4p h GLY 328 Ca -0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 1n4p h GLY 328 CO 0.04 0.55 0.22 1.41 0.00 0.00 0.00 176.54 178.76 1n4p h LEU 329 N 0.45 0.92 -1.41 3.11 4.07 -0.68 -2.61 115.31 119.15 1n4p h LEU 329 Ca 0.09 -0.20 0.11 0.00 0.08 0.00 0.00 57.88 57.95 1n4p h LEU 329 Cb 0.60 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.04 1n4p h LEU 329 CO 0.04 0.87 0.50 -1.28 -1.08 0.00 0.00 178.44 177.48 1n4p h SER 330 N 0.91 0.58 -0.44 -0.43 0.87 -0.71 -0.22 113.55 114.12 1n4p h SER 330 Ca 0.21 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.90 1n4p h SER 330 Cb 0.26 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1n4p h SER 330 CO -0.01 0.34 0.31 -0.07 -0.53 0.00 0.00 176.83 176.87 1n4p h LEU 331 N 0.64 0.09 -2.90 2.23 4.07 -0.99 0.80 115.31 119.25 1n4p h LEU 331 Ca 0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.32 1n4p h LEU 331 Cb 0.52 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1n4p h LEU 331 CO -0.13 0.05 0.00 0.23 -1.08 0.00 0.00 178.44 177.51 1n4p n MET 332 N -4.43 3.07 -3.29 1.13 2.81 -0.12 -4.98 117.12 111.30 1n4p n MET 332 Ca 0.07 -2.67 -0.15 0.00 -1.81 0.00 0.00 57.70 53.13 1n4p n MET 332 Cb 0.44 -1.64 0.08 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.31 -4.19 -1.72 0.03 1.02 0.27 -4.95 120.64 112.42 1n4p n GLU 333 Ca 0.23 0.83 -0.43 0.00 -0.02 0.00 0.00 57.16 57.78 1n4p n GLU 333 Cb 0.69 -5.74 -0.02 0.00 -0.02 0.00 0.00 31.44 26.36 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 -3.58 2.50 -1.75 3.49 4.07 -1.13 -4.86 120.64 119.37 1n4p n GLU 334 Ca -0.17 0.89 -0.43 0.00 -0.06 0.00 0.00 57.16 57.39 1n4p n GLU 334 Cb 0.64 -2.62 -0.03 0.00 -0.06 0.00 0.00 31.44 29.37 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 0.37 5.78 0.00 4.31 0.15 -1.26 -2.09 113.70 120.96 1n4p s SER 335 Ca 0.64 1.84 0.00 0.00 0.70 0.00 0.00 55.95 59.13 1n4p s SER 335 Cb -0.54 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.25 1n4p s SER 335 CO 0.50 -1.71 0.00 0.61 1.20 0.00 0.00 173.24 173.84 1n4p n GLY 336 N 5.41 0.97 2.98 9.45 0.00 -1.26 -5.06 105.19 117.68 1n4p n GLY 336 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 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 1.06 0.90 -0.61 1.01 -0.89 -4.76 121.20 115.91 1n4p s ILE 337 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 1n4p s ILE 337 Cb 0.00 -1.01 0.10 0.00 0.01 0.00 0.00 42.46 41.55 1n4p s ILE 337 CO 0.00 0.35 0.92 0.00 0.00 0.00 0.00 174.94 176.21 1n4p s LYS 339 N -4.17 4.54 0.20 0.00 -0.14 -1.26 -4.77 119.74 114.14 1n4p s LYS 339 Ca 0.65 1.53 -0.16 0.00 -1.36 0.00 0.00 55.97 56.63 1n4p s LYS 339 Cb -0.24 -3.42 -0.08 0.00 -1.68 0.00 0.00 37.83 32.42 1n4p s LYS 339 CO 0.59 -0.08 0.64 0.54 -0.76 0.00 0.00 175.35 176.29 1n4p s VAL 340 N 0.89 4.72 -0.63 3.17 0.11 -1.26 -0.92 120.40 126.48 1n4p s VAL 340 Ca 0.53 1.02 -0.25 0.00 -2.93 0.00 0.00 61.98 60.36 1n4p s VAL 340 Cb -0.24 -3.77 0.05 0.00 -1.53 0.00 0.00 36.38 30.89 1n4p s VAL 340 CO 0.29 0.17 1.06 -2.28 -3.33 0.00 0.00 175.10 171.01 1n4p s HIS 341 N -1.56 2.62 0.57 1.54 2.46 0.77 -4.70 115.29 116.99 1n4p s HIS 341 Ca 0.42 -0.13 0.32 0.00 0.47 0.00 0.00 55.06 56.15 1n4p s HIS 341 Cb -0.15 -4.32 1.42 0.00 -0.13 0.00 0.00 32.58 29.40 1n4p s HIS 341 CO 0.20 -1.63 1.76 -1.00 -2.47 0.00 0.00 174.74 171.60 1n4p h PRO 342 N 9.58 0.00 0.00 2.88 0.13 -1.92 -1.12 132.00 141.54 1n4p h PRO 342 Ca -0.27 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.52 1n4p h PRO 342 Cb 1.06 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 1n4p h PRO 342 CO 1.17 0.00 -2.33 0.00 -0.23 0.00 0.00 178.00 176.61 1n4p n ALA 343 N -2.52 1.59 0.76 -0.56 0.00 -1.26 -4.47 120.51 114.05 1n4p n ALA 343 Ca 0.18 -1.26 0.11 0.00 0.00 0.00 0.00 53.44 52.48 1n4p n ALA 343 Cb 1.06 -0.20 0.10 0.00 0.00 0.00 0.00 19.45 20.41 1n4p n ALA 343 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1n4p n LEU 344 N -2.70 0.63 -3.04 0.00 7.94 -1.04 -4.90 117.00 113.89 1n4p n LEU 344 Ca -0.30 -0.04 -0.22 0.00 -1.11 0.00 0.00 56.01 54.34 1n4p n LEU 344 Cb 1.11 -0.15 0.05 0.00 0.53 0.00 0.00 43.42 44.95 1n4p n LEU 344 CO 0.42 0.08 0.06 -3.20 -1.11 0.00 0.00 177.39 173.64 1n4p n ASN 345 N -1.78 -6.04 -4.25 1.96 5.15 -0.45 -5.01 115.26 104.85 1n4p n ASN 345 Ca 0.04 -0.34 -0.14 0.00 -0.60 0.00 0.00 54.58 53.54 1n4p n ASN 345 Cb 0.39 -4.80 -0.10 0.00 -0.53 0.00 0.00 39.78 34.74 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 -3.20 0.26 0.48 3.44 -7.23 -1.25 -4.98 120.40 107.92 1n4p s VAL 346 Ca 0.36 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.32 1n4p s VAL 346 Cb -0.16 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.18 1n4p s VAL 346 CO 0.45 -0.04 1.10 -0.94 -0.31 0.00 0.00 175.10 175.36 1n4p s SER 347 N -3.22 6.20 0.35 4.85 1.04 -1.26 -0.17 113.70 121.49 1n4p s SER 347 Ca 0.37 2.11 0.08 0.00 0.48 0.00 0.00 55.95 59.00 1n4p s SER 347 Cb 0.07 -2.58 0.80 0.00 0.10 0.00 0.00 66.02 64.41 1n4p s SER 347 CO 0.12 -0.88 1.85 0.71 0.98 0.00 0.00 173.24 176.02 1n4p h THR 348 N 1.65 0.82 -0.21 2.02 1.35 -1.31 0.23 112.91 117.45 1n4p h THR 348 Ca -0.49 -0.24 0.05 0.00 -0.55 0.00 0.00 66.41 65.18 1n4p h THR 348 Cb 1.24 0.04 -0.06 0.00 -1.73 0.00 0.00 68.15 67.64 1n4p h THR 348 CO 0.59 0.13 -0.17 -0.09 -0.25 0.00 0.00 175.52 175.73 1n4p h ARG 349 N 0.71 -0.17 -0.52 4.72 2.43 -1.91 0.38 114.38 120.04 1n4p h ARG 349 Ca 0.47 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.61 1n4p h ARG 349 Cb 0.75 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 1n4p h ARG 349 CO -0.23 -0.11 0.13 1.15 -1.51 0.00 0.00 179.97 179.40 1n4p h THR 350 N -0.17 1.22 -0.33 0.20 2.02 -1.01 -0.39 112.91 114.44 1n4p h THR 350 Ca 0.12 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.43 1n4p h THR 350 Cb 0.36 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1n4p h THR 350 CO -0.31 0.29 -0.24 0.77 0.37 0.00 0.00 175.52 176.39 1n4p h SER 351 N 0.76 0.66 -0.36 4.18 4.64 -0.04 -0.95 113.55 122.44 1n4p h SER 351 Ca 0.17 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1n4p h SER 351 Cb 0.27 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1n4p h SER 351 CO -0.00 0.88 0.03 -0.33 -0.87 0.00 0.00 176.83 176.54 1n4p h GLU 352 N 0.57 0.61 -0.44 4.77 5.08 0.37 -1.68 114.58 123.86 1n4p h GLU 352 Ca 0.08 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1n4p h GLU 352 Cb 0.71 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1n4p h GLU 352 CO 0.05 0.71 0.25 -0.09 -1.00 0.00 0.00 179.01 178.94 1n4p h ARG 353 N 0.43 0.59 -0.30 2.33 2.43 -0.80 -0.75 114.38 118.31 1n4p h ARG 353 Ca 0.10 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 1n4p h ARG 353 Cb 0.41 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1n4p h ARG 353 CO 0.01 0.43 -0.28 1.25 -1.51 0.00 0.00 179.97 179.88 1n4p h LEU 354 N 0.61 0.63 -0.38 3.80 5.85 -0.79 -0.82 115.31 124.20 1n4p h LEU 354 Ca 0.16 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1n4p h LEU 354 Cb -0.01 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1n4p h LEU 354 CO -0.03 0.88 0.19 0.03 -0.34 0.00 0.00 178.44 179.17 1n4p h ARG 355 N 0.53 0.54 -0.10 1.25 -0.00 -0.23 0.33 114.38 116.70 1n4p h ARG 355 Ca 0.07 -0.07 0.01 0.00 -0.50 0.00 0.00 59.98 59.48 1n4p h ARG 355 Cb 0.75 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.61 1n4p h ARG 355 CO 0.06 0.46 0.04 -0.44 0.00 0.00 0.00 179.97 180.10 1n4p h ASP 356 N 0.48 0.06 -0.63 7.04 3.32 -1.11 -1.16 116.42 124.42 1n4p h ASP 356 Ca 0.13 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.28 1n4p h ASP 356 Cb 0.09 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.56 1n4p h ASP 356 CO -0.02 0.05 0.26 0.25 -1.72 0.00 0.00 179.24 178.06 1n4p h LEU 357 N 0.10 0.28 -0.80 1.55 6.46 -0.82 -0.36 115.31 121.72 1n4p h LEU 357 Ca 0.04 0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1n4p h LEU 357 Cb 0.01 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 1n4p h LEU 357 CO -0.03 0.16 0.36 0.45 -0.62 0.00 0.00 178.44 178.76 1n4p h HIS 358 N 0.45 1.19 0.61 1.25 3.86 -0.46 -2.60 115.15 119.44 1n4p h HIS 358 Ca 0.32 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 1n4p h HIS 358 Cb 0.39 -0.36 0.01 0.00 1.06 0.00 0.00 27.41 28.50 1n4p h HIS 358 CO -0.15 0.88 -0.29 1.96 0.86 0.00 0.00 177.93 181.18 1n4p h GLN 359 N 1.15 -0.78 -1.01 2.45 7.50 0.03 -2.45 115.11 122.00 1n4p h GLN 359 Ca 0.27 0.05 0.24 0.00 0.50 0.00 0.00 58.65 59.72 1n4p h GLN 359 Cb 0.16 0.18 -0.10 0.00 0.05 0.00 0.00 27.48 27.77 1n4p h GLN 359 CO -0.03 -0.52 0.63 0.66 -1.50 0.00 0.00 178.83 178.07 1n4p h SER 360 N -0.82 0.56 -0.47 1.46 4.64 -0.99 0.26 113.55 118.19 1n4p h SER 360 Ca -0.08 0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1n4p h SER 360 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1n4p h SER 360 CO 0.14 0.14 0.14 -0.50 -0.87 0.00 0.00 176.83 175.87 1n4p h TRP 361 N 0.51 0.77 0.00 4.77 6.55 -1.16 -3.28 115.95 124.11 1n4p h TRP 361 Ca 0.59 -0.08 -0.21 0.00 0.95 0.00 0.00 58.89 60.14 1n4p h TRP 361 Cb 1.29 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 29.37 1n4p h TRP 361 CO -0.00 0.69 1.68 1.63 -1.05 0.00 0.00 178.44 181.38 1n4p n LYS 362 N -4.52 1.26 0.00 0.49 4.01 0.91 -5.13 118.16 115.18 1n4p n LYS 362 Ca 0.01 -0.98 0.00 0.00 -0.51 0.00 0.00 58.31 56.83 1n4p n LYS 362 Cb 0.20 -2.17 0.00 0.00 -0.51 0.00 0.00 35.03 32.55 1n4p n LYS 362 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54