#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4p n ASP 19 N 0.00 2.35 -4.50 -1.43 3.85 -1.26 -5.01 116.55 110.55 1n4p n ASP 19 Ca 0.00 -2.20 -0.42 0.00 -0.71 0.00 0.00 54.79 51.45 1n4p n ASP 19 Cb 0.00 0.29 -0.04 0.00 -1.35 0.00 0.00 41.12 40.02 1n4p n ASP 19 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1n4p s PHE 20 N -2.09 2.58 -1.19 2.11 5.36 -1.26 -4.94 117.98 118.54 1n4p s PHE 20 Ca 0.03 -0.30 -0.09 0.00 -0.96 0.00 0.00 56.93 55.61 1n4p s PHE 20 Cb 0.00 -4.36 -0.07 0.00 -0.34 0.00 0.00 43.02 38.25 1n4p s PHE 20 CO 0.02 -1.73 2.40 1.28 -1.46 0.00 0.00 175.22 175.73 1n4p n LEU 21 N 8.17 6.34 -0.33 6.12 4.32 -1.26 -4.80 117.00 135.57 1n4p n LEU 21 Ca -0.01 -3.50 0.03 0.00 -0.02 0.00 0.00 56.01 52.51 1n4p n LEU 21 Cb 0.47 -1.30 0.11 0.00 -1.62 0.00 0.00 43.42 41.07 1n4p n LEU 21 CO 0.66 1.07 0.66 -0.09 -1.22 0.00 0.00 177.39 178.48 1n4p h ARG 22 N 5.98 -0.01 -0.05 3.23 2.43 -1.96 -1.84 114.38 122.16 1n4p h ARG 22 Ca 0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1n4p h ARG 22 Cb 0.29 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1n4p h ARG 22 CO 1.65 -0.01 0.03 -0.44 -1.51 0.00 0.00 179.97 179.69 1n4p h ASP 23 N -0.01 0.06 -0.86 -3.80 3.32 -2.00 -2.31 116.42 110.82 1n4p h ASP 23 Ca 0.42 -0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.60 1n4p h ASP 23 Cb 0.65 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 1n4p h ASP 23 CO -0.94 0.07 0.56 0.03 -1.72 0.00 0.00 179.24 177.24 1n4p h ARG 24 N 0.04 0.53 -0.03 3.56 3.08 -1.75 0.25 114.38 120.06 1n4p h ARG 24 Ca 0.02 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1n4p h ARG 24 Cb 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1n4p h ARG 24 CO -0.00 0.35 -0.68 0.45 -1.07 0.00 0.00 179.97 179.02 1n4p h HIS 25 N 0.55 0.21 -0.54 3.04 3.86 -1.14 -1.70 115.15 119.43 1n4p h HIS 25 Ca 0.43 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.48 1n4p h HIS 25 Cb 0.86 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.28 1n4p h HIS 25 CO -0.00 0.78 0.05 0.28 0.86 0.00 0.00 177.93 179.90 1n4p h VAL 26 N 0.11 1.26 -0.31 2.45 2.07 -0.42 -1.36 116.25 120.04 1n4p h VAL 26 Ca -0.01 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 1n4p h VAL 26 Cb 1.21 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1n4p h VAL 26 CO 0.10 0.37 0.07 0.03 0.02 0.00 0.00 177.57 178.16 1n4p h ARG 27 N 0.80 0.50 -0.29 1.57 3.08 -1.28 -1.94 114.38 116.82 1n4p h ARG 27 Ca 0.16 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.15 1n4p h ARG 27 Cb 0.47 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.37 1n4p h ARG 27 CO 0.02 0.57 -0.26 0.35 -1.07 0.00 0.00 179.97 179.58 1n4p h PHE 28 N 0.35 -0.70 -0.60 3.04 3.57 -1.01 -0.13 116.94 121.45 1n4p h PHE 28 Ca 0.10 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1n4p h PHE 28 Cb 0.30 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1n4p h PHE 28 CO 0.02 -0.34 0.36 0.74 -2.23 0.00 0.00 178.31 176.86 1n4p h PHE 29 N -0.25 0.78 -0.68 0.41 0.05 -1.13 -2.23 116.94 113.89 1n4p h PHE 29 Ca 0.15 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.93 1n4p h PHE 29 Cb 0.48 -0.26 -0.03 0.00 2.00 0.00 0.00 35.95 38.14 1n4p h PHE 29 CO -0.43 0.52 0.36 1.96 -0.18 0.00 0.00 178.31 180.54 1n4p h GLN 30 N 0.83 0.96 -0.68 1.51 4.20 -0.28 -2.19 115.11 119.45 1n4p h GLN 30 Ca 0.22 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1n4p h GLN 30 Cb -0.03 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.53 1n4p h GLN 30 CO -0.04 0.73 0.32 0.00 -0.67 0.00 0.00 178.83 179.17 1n4p h ARG 31 N 0.93 0.97 -0.60 1.46 3.08 -0.55 -2.36 114.38 117.32 1n4p h ARG 31 Ca 0.24 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.18 1n4p h ARG 31 Cb 0.07 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1n4p h ARG 31 CO -0.04 0.76 0.40 0.00 -1.07 0.00 0.00 179.97 180.02 1n4p n LEU 33 N -4.46 0.05 0.00 0.00 7.99 -0.90 -4.75 117.00 114.94 1n4p n LEU 33 Ca 0.07 0.49 0.00 0.00 -0.01 0.00 0.00 56.01 56.56 1n4p n LEU 33 Cb 0.14 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 42.96 1n4p n LEU 33 CO 0.35 -0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.22 1n4p n GLN 34 N -1.53 0.00 -4.93 3.23 6.02 -0.48 -5.06 117.38 114.62 1n4p n GLN 34 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.78 1n4p n GLN 34 Cb 0.34 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.44 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 0.93 1.59 0.08 5.09 1.01 -1.25 -5.12 120.40 122.73 1n4p s VAL 35 Ca 0.00 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1n4p s VAL 35 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1n4p s VAL 35 CO 0.00 0.45 -0.10 -0.76 0.00 0.00 0.00 175.10 174.69 1n4p s LEU 36 N 0.13 3.03 0.98 3.92 1.43 -1.26 -4.97 118.68 121.94 1n4p s LEU 36 Ca -0.07 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1n4p s LEU 36 Cb -0.13 -1.80 0.18 0.00 0.03 0.00 0.00 46.19 44.46 1n4p s LEU 36 CO 0.04 0.21 1.09 -2.84 0.23 0.00 0.00 176.35 175.07 1n4p s PRO 37 N -1.97 0.51 0.10 1.29 0.02 -1.26 -4.88 135.00 128.81 1n4p s PRO 37 Ca 0.20 1.04 0.14 0.00 0.02 0.00 0.00 61.00 62.40 1n4p s PRO 37 Cb -0.11 -1.71 0.62 0.00 0.02 0.00 0.00 34.50 33.32 1n4p s PRO 37 CO 0.12 -2.81 1.43 -1.91 -0.33 0.00 0.00 177.00 173.49 1n4p n GLU 38 N -4.31 0.06 0.22 5.54 2.13 -1.26 -2.17 120.64 120.86 1n4p n GLU 38 Ca 0.07 0.40 0.15 0.00 0.66 0.00 0.00 57.16 58.45 1n4p n GLU 38 Cb 0.54 -1.64 0.73 0.00 0.27 0.00 0.00 31.44 31.33 1n4p n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n4p h ARG 39 N 0.00 0.00 -0.64 5.31 3.08 -2.06 -2.13 114.38 117.94 1n4p h ARG 39 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1n4p h ARG 39 Cb 0.18 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 1n4p h ARG 39 CO 0.00 0.00 0.17 0.66 -1.07 0.00 0.00 179.97 179.73 1n4p n TYR 40 N -2.64 2.18 -0.12 3.04 4.02 -0.92 -4.60 117.16 118.12 1n4p n TYR 40 Ca -0.00 -1.10 0.09 0.00 -0.01 0.00 0.00 57.90 56.88 1n4p n TYR 40 Cb 0.16 -0.61 0.43 0.00 -0.02 0.00 0.00 39.34 39.30 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 2.77 0.50 0.16 7.72 4.64 -1.59 -1.72 113.55 126.04 1n4p h SER 41 Ca 0.19 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1n4p h SER 41 Cb 2.15 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 1n4p h SER 41 CO 0.63 0.32 0.00 -1.54 -0.87 0.00 0.00 176.83 175.36 1n4p n SER 42 N -4.48 0.00 -0.47 4.97 3.41 -1.26 -1.62 113.62 114.17 1n4p n SER 42 Ca 0.10 0.12 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 1n4p n SER 42 Cb 0.29 -0.26 0.12 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.26 1.83 -0.28 1.04 4.77 -0.65 -4.60 117.00 117.86 1n4p n LEU 43 Ca 0.05 -0.64 -0.01 0.00 -0.03 0.00 0.00 56.01 55.37 1n4p n LEU 43 Cb 0.07 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1n4p n LEU 43 CO 0.07 0.34 0.65 -0.08 -1.33 0.00 0.00 177.39 177.03 1n4p h GLU 44 N 2.28 -0.06 0.00 3.23 4.57 -1.45 0.52 114.58 123.67 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 0.70 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1n4p h GLU 44 CO 0.00 -0.04 0.00 0.25 -1.18 0.00 0.00 179.01 178.04 1n4p n THR 45 N -5.48 0.00 -2.81 0.32 -2.24 -1.26 -3.19 114.28 99.62 1n4p n THR 45 Ca 0.08 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1n4p n THR 45 Cb 0.39 -0.47 0.05 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.86 1.58 0.12 3.42 3.41 0.13 -4.00 113.62 117.43 1n4p n SER 46 Ca 0.13 -2.05 -0.01 0.00 -0.26 0.00 0.00 58.87 56.69 1n4p n SER 46 Cb 0.06 -0.47 0.24 0.00 -0.26 0.00 0.00 64.21 63.78 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 2.50 0.16 -0.57 4.33 3.08 -1.18 -2.98 114.38 119.71 1n4p h ARG 47 Ca -0.14 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1n4p h ARG 47 Cb 1.31 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 1n4p h ARG 47 CO 0.18 0.57 0.31 1.25 -1.07 0.00 0.00 179.97 181.22 1n4p h LEU 48 N 0.13 0.69 -0.28 3.04 5.85 -1.55 0.33 115.31 123.53 1n4p h LEU 48 Ca 0.01 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1n4p h LEU 48 Cb 0.84 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1n4p h LEU 48 CO 0.06 0.56 -0.30 0.71 -0.34 0.00 0.00 178.44 179.14 1n4p h THR 49 N 0.79 0.55 -0.29 1.05 1.35 -1.82 -0.96 112.91 113.58 1n4p h THR 49 Ca 0.20 -1.62 -0.16 0.00 -0.55 0.00 0.00 66.41 64.28 1n4p h THR 49 Cb 0.03 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1n4p h THR 49 CO -0.03 0.29 -0.46 0.40 -0.25 0.00 0.00 175.52 175.47 1n4p h ILE 50 N 0.00 1.29 -0.60 6.82 1.08 -1.16 -1.38 117.51 123.56 1n4p h ILE 50 Ca -0.00 -1.66 -0.02 0.00 -0.39 0.00 0.00 64.86 62.79 1n4p h ILE 50 Cb 1.12 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 36.41 1n4p h ILE 50 CO 0.04 0.53 0.30 0.00 -0.69 0.00 0.00 178.15 178.33 1n4p h ALA 51 N 0.87 0.77 -0.19 1.87 0.00 -0.65 -2.16 119.26 119.77 1n4p h ALA 51 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1n4p h ALA 51 Cb 1.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1n4p h ALA 51 CO 0.10 0.32 0.08 0.35 0.00 0.00 0.00 179.25 180.10 1n4p h PHE 52 N 0.81 0.15 -0.89 0.00 3.57 -0.87 0.29 116.94 120.00 1n4p h PHE 52 Ca 0.21 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.78 1n4p h PHE 52 Cb 0.10 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 1n4p h PHE 52 CO -0.00 0.08 0.56 0.74 -2.23 0.00 0.00 178.31 177.46 1n4p h PHE 53 N 0.18 1.03 -0.06 0.41 0.05 -1.01 0.36 116.94 117.90 1n4p h PHE 53 Ca 0.08 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.84 1n4p h PHE 53 Cb 0.03 -0.33 0.00 0.00 2.00 0.00 0.00 35.95 37.65 1n4p h PHE 53 CO -0.10 0.53 -0.18 0.00 -0.18 0.00 0.00 178.31 178.37 1n4p h ALA 54 N 1.41 0.11 0.04 2.45 0.00 -0.90 -0.84 119.26 121.53 1n4p h ALA 54 Ca 0.38 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n4p h ALA 54 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1n4p h ALA 54 CO -0.17 0.05 -0.02 -0.07 0.00 0.00 0.00 179.25 179.04 1n4p h LEU 55 N -0.28 -0.05 -1.52 0.00 3.38 -0.34 0.01 115.31 116.51 1n4p h LEU 55 Ca -0.00 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1n4p h LEU 55 Cb 0.80 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1n4p h LEU 55 CO 0.04 0.30 -0.21 -1.28 0.09 0.00 0.00 178.44 177.38 1n4p h SER 56 N -0.41 0.03 -0.36 -0.43 0.87 -1.05 0.21 113.55 112.41 1n4p h SER 56 Ca -0.01 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.42 1n4p h SER 56 Cb 0.37 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1n4p h SER 56 CO 0.01 0.25 -0.27 1.23 -0.53 0.00 0.00 176.83 177.52 1n4p h GLY 57 N 0.69 0.90 1.03 5.77 0.00 -0.97 -0.11 103.07 110.37 1n4p h GLY 57 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 47.33 46.37 1n4p h GLY 57 CO 0.03 0.78 -0.10 1.41 0.00 0.00 0.00 176.54 178.66 1n4p h LEU 58 N 0.62 0.89 -0.44 3.11 3.38 -0.09 -1.92 115.31 120.86 1n4p h LEU 58 Ca 0.07 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1n4p h LEU 58 Cb 0.84 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1n4p h LEU 58 CO 0.07 1.04 0.27 -0.78 0.09 0.00 0.00 178.44 179.14 1n4p h ASP 59 N 0.73 0.46 -0.13 -0.43 -0.00 -0.51 0.23 116.42 116.76 1n4p h ASP 59 Ca 0.12 -0.00 0.01 0.00 -0.00 0.00 0.00 57.03 57.16 1n4p h ASP 59 Cb 0.64 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.86 1n4p h ASP 59 CO 0.04 0.33 0.09 -0.03 -0.00 0.00 0.00 179.24 179.67 1n4p h MET 60 N 0.56 0.13 -0.24 0.28 4.05 -0.79 0.12 114.93 119.03 1n4p h MET 60 Ca 0.17 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1n4p h MET 60 Cb -0.02 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1n4p h MET 60 CO -0.06 0.09 0.00 1.28 0.23 0.00 0.00 176.91 178.45 1n4p n LEU 61 N -4.52 2.60 -3.49 3.39 4.77 -0.39 -1.12 117.00 118.25 1n4p n LEU 61 Ca -0.01 -1.07 -0.20 0.00 -0.03 0.00 0.00 56.01 54.70 1n4p n LEU 61 Cb 0.11 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1n4p n LEU 61 CO 0.34 0.54 -0.00 -0.67 -1.33 0.00 0.00 177.39 176.27 1n4p n ASP 62 N 0.95 -4.20 -1.06 -1.43 2.03 0.63 -4.94 116.55 108.53 1n4p n ASP 62 Ca 0.17 -0.79 0.03 0.00 0.52 0.00 0.00 54.79 54.72 1n4p n ASP 62 Cb 0.48 -4.51 0.02 0.00 -0.72 0.00 0.00 41.12 36.39 1n4p n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1n4p n SER 63 N -3.05 0.69 0.00 1.67 7.64 -0.18 -4.86 113.62 115.53 1n4p n SER 63 Ca -0.17 -2.10 0.03 0.00 1.01 0.00 0.00 58.87 57.64 1n4p n SER 63 Cb 0.64 -0.28 0.15 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.21 0.00 0.14 -3.43 4.77 -1.26 -1.92 117.00 115.50 1n4p n LEU 64 Ca 0.05 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1n4p n LEU 64 Cb 0.95 -0.25 0.14 0.00 -2.33 0.00 0.00 43.42 41.94 1n4p n LEU 64 CO -0.02 -0.20 0.48 -2.24 -1.33 0.00 0.00 177.39 174.07 1n4p h ASP 65 N 0.00 0.00 0.00 -1.43 2.03 -1.95 -3.21 116.42 111.86 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 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1n4p h ASP 65 CO 0.00 0.60 0.00 1.33 -1.03 0.00 0.00 179.24 180.14 1n4p n VAL 66 N -3.55 0.00 -4.04 4.15 0.24 -0.81 -4.73 118.33 109.59 1n4p n VAL 66 Ca -0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 1n4p n VAL 66 Cb 0.66 -0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.70 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 -1.69 0.18 -1.05 3.34 -7.23 -1.21 -5.07 120.40 107.67 1n4p s VAL 67 Ca 0.00 -1.40 -0.19 0.00 -1.81 0.00 0.00 61.98 58.59 1n4p s VAL 67 Cb 0.00 -0.94 0.11 0.00 0.56 0.00 0.00 36.38 36.11 1n4p s VAL 67 CO 0.00 -0.76 1.33 0.21 -0.31 0.00 0.00 175.10 175.56 1n4p s ASN 68 N -2.25 6.72 0.34 4.85 3.84 -1.26 -4.86 114.94 122.32 1n4p s ASN 68 Ca -0.04 -2.16 0.14 0.00 0.21 0.00 0.00 52.86 51.02 1n4p s ASN 68 Cb -0.00 -2.46 1.09 0.00 -0.55 0.00 0.00 41.25 39.33 1n4p s ASN 68 CO -0.06 -1.11 1.63 0.11 -2.79 0.00 0.00 177.10 174.88 1n4p h LYS 69 N 8.56 0.18 -0.38 0.43 1.57 -1.93 -0.11 116.57 124.90 1n4p h LYS 69 Ca 0.23 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1n4p h LYS 69 Cb 0.97 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1n4p h LYS 69 CO 1.25 0.12 0.04 -0.44 -0.57 0.00 0.00 179.45 179.84 1n4p h ASP 70 N 0.19 0.62 0.11 0.86 3.32 -1.92 -0.72 116.42 118.88 1n4p h ASP 70 Ca 0.73 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.50 1n4p h ASP 70 Cb 1.73 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1n4p h ASP 70 CO -0.69 0.74 -0.05 0.44 -1.72 0.00 0.00 179.24 177.96 1n4p h ASP 71 N 0.47 -0.12 -0.88 6.45 3.32 -1.44 -2.53 116.42 121.68 1n4p h ASP 71 Ca 0.11 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1n4p h ASP 71 Cb 0.40 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1n4p h ASP 71 CO 0.01 -0.04 0.50 0.40 -1.72 0.00 0.00 179.24 178.39 1n4p h ILE 72 N -0.20 1.25 -0.69 0.35 2.04 -1.42 -1.74 117.51 117.11 1n4p h ILE 72 Ca -0.01 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1n4p h ILE 72 Cb 0.16 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 1n4p h ILE 72 CO 0.02 0.28 0.41 0.40 0.00 0.00 0.00 178.15 179.27 1n4p h ILE 73 N 1.23 1.19 -0.38 -0.67 2.04 -0.96 -0.39 117.51 119.58 1n4p h ILE 73 Ca 0.31 -0.43 -0.16 0.00 1.00 0.00 0.00 64.86 65.58 1n4p h ILE 73 Cb 0.01 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1n4p h ILE 73 CO -0.05 0.20 -0.40 -0.33 0.00 0.00 0.00 178.15 177.57 1n4p h GLU 74 N 0.95 0.93 -0.28 2.37 4.39 -0.98 -1.66 114.58 120.31 1n4p h GLU 74 Ca 0.25 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 1n4p h GLU 74 Cb -0.03 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1n4p h GLU 74 CO -0.05 1.15 0.17 2.35 -1.16 0.00 0.00 179.01 181.47 1n4p h TRP 75 N 0.76 0.37 -0.30 4.33 7.01 -0.74 -1.48 115.95 125.90 1n4p h TRP 75 Ca 0.06 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1n4p h TRP 75 Cb 1.00 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.92 1n4p h TRP 75 CO 0.06 0.28 0.19 0.82 -2.79 0.00 0.00 178.44 177.00 1n4p h ILE 76 N 0.35 1.06 0.00 2.65 2.04 -1.01 -2.00 117.51 120.61 1n4p h ILE 76 Ca 0.10 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1n4p h ILE 76 Cb 0.02 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1n4p h ILE 76 CO -0.02 0.07 -0.05 1.88 0.00 0.00 0.00 178.15 180.03 1n4p h TYR 77 N 0.39 0.00 0.00 1.37 0.05 -1.01 0.52 116.97 118.29 1n4p h TYR 77 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1n4p h TYR 77 Cb -0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.71 1n4p h TYR 77 CO -0.06 0.05 0.00 -1.13 -1.05 0.00 0.00 178.16 175.97 1n4p n SER 78 N -3.41 0.52 -0.20 3.88 3.41 -0.58 -2.51 113.62 114.73 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 0.18 -0.72 0.28 0.00 -0.26 0.00 0.00 64.21 63.69 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 -2.04 1.01 -4.71 1.04 4.77 0.17 -4.63 117.00 112.60 1n4p n LEU 79 Ca 0.04 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 1n4p n LEU 79 Cb 0.29 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1n4p n LEU 79 CO 0.22 0.20 0.82 -1.58 -1.33 0.00 0.00 177.39 175.72 1n4p s GLN 80 N -2.65 4.48 -0.62 3.23 0.74 -1.04 -0.33 119.66 123.46 1n4p s GLN 80 Ca 0.19 1.66 -0.22 0.00 0.05 0.00 0.00 55.36 57.05 1n4p s GLN 80 Cb 0.18 -3.38 0.07 0.00 1.10 0.00 0.00 33.01 30.99 1n4p s GLN 80 CO 0.59 -0.17 0.88 0.08 -0.55 0.00 0.00 175.29 176.12 1n4p s VAL 81 N 0.98 4.47 0.39 1.34 1.01 0.91 -4.89 120.40 124.60 1n4p s VAL 81 Ca 0.56 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1n4p s VAL 81 Cb -0.27 -4.61 -0.06 0.00 0.00 0.00 0.00 36.38 31.45 1n4p s VAL 81 CO 0.29 -1.31 0.73 -0.76 0.00 0.00 0.00 175.10 174.04 1n4p s LEU 82 N 3.67 3.86 0.50 3.92 1.43 -1.26 -3.10 118.68 127.69 1n4p s LEU 82 Ca 0.20 1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 54.11 1n4p s LEU 82 Cb -0.18 -3.90 -0.07 0.00 0.03 0.00 0.00 46.19 42.08 1n4p s LEU 82 CO 0.10 -0.38 1.16 -2.16 0.23 0.00 0.00 176.35 175.30 1n4p s PRO 83 N -3.89 3.55 0.91 1.29 0.04 -1.26 -4.25 135.00 131.40 1n4p s PRO 83 Ca 0.49 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 63.13 1n4p s PRO 83 Cb -0.10 -2.23 0.14 0.00 0.04 0.00 0.00 34.50 32.35 1n4p s PRO 83 CO 0.32 -0.71 1.15 0.95 0.04 0.00 0.00 177.00 178.76 1n4p s THR 84 N -1.63 1.98 0.20 1.26 -4.23 -1.26 -2.39 115.64 109.58 1n4p s THR 84 Ca 0.68 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.06 1n4p s THR 84 Cb -0.27 -2.78 0.19 0.00 1.34 0.00 0.00 72.50 70.97 1n4p s THR 84 CO 0.32 0.00 1.65 1.05 -0.54 0.00 0.00 174.62 177.10 1n4p h GLU 85 N -1.49 0.04 0.00 3.99 9.09 -1.96 0.39 114.58 124.64 1n4p h GLU 85 Ca -0.49 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1n4p h GLU 85 Cb 1.33 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1n4p h GLU 85 CO 0.60 0.03 0.00 -0.40 0.05 0.00 0.00 179.01 179.29 1n4p n ASP 86 N -5.35 0.00 -4.27 3.06 3.85 -1.26 -4.90 116.55 107.68 1n4p n ASP 86 Ca 0.07 -1.37 -0.34 0.00 -0.71 0.00 0.00 54.79 52.44 1n4p n ASP 86 Cb 0.31 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.02 1n4p n ASP 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1n4p n ARG 87 N -0.79 -1.92 -0.27 0.11 1.74 0.14 -4.83 116.66 110.84 1n4p n ARG 87 Ca 0.13 0.24 0.12 0.00 -0.77 0.00 0.00 57.85 57.57 1n4p n ARG 87 Cb 0.06 -4.41 0.26 0.00 -1.02 0.00 0.00 32.46 27.36 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 -2.76 3.69 -0.74 0.55 3.41 -1.26 -4.29 113.62 112.22 1n4p n SER 88 Ca -0.13 -2.00 0.06 0.00 -0.26 0.00 0.00 58.87 56.54 1n4p n SER 88 Cb 0.59 -0.35 0.16 0.00 -0.26 0.00 0.00 64.21 64.34 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 1.57 1.57 -0.33 4.04 6.94 -1.26 -4.82 115.26 122.96 1n4p n ASN 89 Ca 0.22 -3.37 0.00 0.00 -0.02 0.00 0.00 54.58 51.41 1n4p n ASN 89 Cb 0.62 -0.46 0.13 0.00 -2.36 0.00 0.00 39.78 37.71 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 0.88 0.95 0.00 -4.53 3.38 -1.95 -1.48 115.31 112.56 1n4p h LEU 90 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n4p h LEU 90 Cb 1.21 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1n4p h LEU 90 CO 0.02 0.64 0.00 0.47 0.09 0.00 0.00 178.44 179.66 1n4p n ASP 91 N -4.54 0.00 -0.02 -0.43 9.92 -1.26 -2.07 116.55 118.16 1n4p n ASP 91 Ca 0.12 -0.09 0.01 0.00 -0.53 0.00 0.00 54.79 54.30 1n4p n ASP 91 Cb 0.13 -0.06 0.01 0.00 -0.64 0.00 0.00 41.12 40.56 1n4p n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1n4p n ARG 92 N -1.06 2.21 -2.30 -1.24 1.74 -0.56 -4.65 116.66 110.79 1n4p n ARG 92 Ca 0.04 -1.38 -0.30 0.00 -0.77 0.00 0.00 57.85 55.43 1n4p n ARG 92 Cb 0.02 -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 -2.16 0.05 3.26 0.00 0.00 -1.18 -4.44 105.19 100.72 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 0.35 1.61 0.40 -1.26 -0.06 117.98 116.64 1n4p s PHE 95 Ca 0.00 -0.44 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1n4p s PHE 95 Cb 0.00 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.61 1n4p s PHE 95 CO 0.00 0.17 0.57 1.03 0.70 0.00 0.00 175.22 177.68 1n4p s ARG 96 N -1.92 3.50 0.33 0.44 0.52 0.55 -0.89 118.95 121.48 1n4p s ARG 96 Ca 0.05 -0.28 0.18 0.00 -0.52 0.00 0.00 55.73 55.15 1n4p s ARG 96 Cb -0.10 -2.64 0.18 0.00 0.52 0.00 0.00 34.95 32.91 1n4p s ARG 96 CO 0.04 0.13 1.51 0.78 0.02 0.00 0.00 175.30 177.77 1n4p h GLY 97 N 0.76 0.00 0.00 -3.53 0.00 -1.89 -3.46 103.07 94.95 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 -3.20 0.00 -1.53 0.19 3.41 -1.26 -1.38 113.62 109.85 1n4p n SER 98 Ca 0.02 -0.67 -0.01 0.00 -0.26 0.00 0.00 58.87 57.96 1n4p n SER 98 Cb 0.66 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.89 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 -0.36 4.19 0.11 4.04 3.41 -1.26 -4.71 113.62 119.04 1n4p n SER 99 Ca 0.00 -3.25 0.06 0.00 -0.26 0.00 0.00 58.87 55.42 1n4p n SER 99 Cb 0.00 -0.67 0.31 0.00 -0.26 0.00 0.00 64.21 63.59 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 0.39 0.68 7.33 4.11 -1.26 -1.45 117.16 126.55 1n4p n TYR 100 Ca 0.34 0.20 0.13 0.00 -0.00 0.00 0.00 57.90 58.57 1n4p n TYR 100 Cb 1.18 -0.72 0.37 0.00 -0.00 0.00 0.00 39.34 40.18 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 -1.89 0.67 0.00 -3.48 4.77 -1.26 -4.93 117.00 110.87 1n4p n LEU 101 Ca -0.01 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1n4p n LEU 101 Cb 0.16 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1n4p n LEU 101 CO 0.05 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1n4p n GLY 102 N 1.35 0.64 3.74 -0.72 0.00 -0.53 -5.03 105.19 104.64 1n4p n GLY 102 Ca 0.05 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 3.25 0.26 -0.61 1.01 -1.26 -4.94 121.20 116.91 1n4p s ILE 103 Ca 0.00 1.04 -0.31 0.00 0.00 0.00 0.00 60.65 61.38 1n4p s ILE 103 Cb 0.00 -3.66 -0.13 0.00 0.01 0.00 0.00 42.46 38.68 1n4p s ILE 103 CO 0.00 0.16 1.40 -0.81 0.00 0.00 0.00 174.94 175.69 1n4p n PRO 104 N 2.59 2.08 -1.60 2.79 -0.04 -1.26 -4.87 135.00 134.68 1n4p n PRO 104 Ca 0.06 0.74 -0.51 0.00 -0.04 0.00 0.00 63.50 63.75 1n4p n PRO 104 Cb 0.43 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.44 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 1.71 1.65 -3.17 0.54 7.35 -1.26 -4.96 117.46 119.32 1n4p n PHE 105 Ca 0.11 0.57 0.03 0.00 -0.76 0.00 0.00 57.45 57.39 1n4p n PHE 105 Cb 0.32 -2.37 -0.00 0.00 0.35 0.00 0.00 39.48 37.78 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 0.56 -1.54 -0.50 -2.13 2.47 -1.26 -5.06 114.94 107.48 1n4p s ASN 106 Ca 0.83 -0.29 -0.13 0.00 0.42 0.00 0.00 52.86 53.70 1n4p s ASN 106 Cb -0.90 1.96 -0.12 0.00 -1.45 0.00 0.00 41.25 40.73 1n4p s ASN 106 CO 0.45 -0.23 1.70 -0.81 -3.72 0.00 0.00 177.10 174.49 1n4p n PRO 107 N 4.90 1.07 -4.03 0.43 -0.04 -1.26 -4.12 135.00 131.94 1n4p n PRO 107 Ca 0.08 -1.24 -0.28 0.00 -0.04 0.00 0.00 63.50 62.02 1n4p n PRO 107 Cb 0.56 -2.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 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 6.01 -0.83 0.00 3.54 7.64 -1.10 -4.74 113.62 124.15 1n4p n SER 108 Ca 0.35 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1n4p n SER 108 Cb 0.21 -2.89 0.00 0.00 -1.01 0.00 0.00 64.21 60.52 1n4p n SER 108 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n4p n LYS 109 N -4.42 0.00 -0.90 1.43 5.02 -1.26 -5.03 118.16 113.00 1n4p n LYS 109 Ca -0.24 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.77 1n4p n LYS 109 Cb 0.65 -0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.87 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 -1.00 1.74 1.23 4.39 2.20 -1.26 -5.02 114.94 117.22 1n4p s ASN 110 Ca 0.00 1.26 -0.18 0.00 -0.94 0.00 0.00 52.86 53.00 1n4p s ASN 110 Cb 0.00 -1.97 0.26 0.00 -2.00 0.00 0.00 41.25 37.54 1n4p s ASN 110 CO 0.00 -3.69 0.89 -0.81 -2.94 0.00 0.00 177.10 170.55 1n4p n PRO 111 N -4.55 -2.97 -2.45 3.55 -0.04 -1.26 -4.97 135.00 122.30 1n4p n PRO 111 Ca 0.04 -1.44 -0.40 0.00 -0.04 0.00 0.00 63.50 61.66 1n4p n PRO 111 Cb 0.56 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 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 -4.02 2.99 -0.47 0.55 0.00 -1.01 -5.00 107.32 100.37 1n4p s GLY 112 Ca 0.59 0.91 -0.15 0.00 0.00 0.00 0.00 44.72 46.07 1n4p s GLY 112 CO 0.46 1.58 0.38 -0.51 0.00 0.00 0.00 173.10 175.00 1n4p s THR 113 N -0.93 5.08 0.18 0.90 -4.23 -1.26 -4.39 115.64 110.99 1n4p s THR 113 Ca 0.46 -1.12 -0.28 0.00 -1.18 0.00 0.00 61.69 59.57 1n4p s THR 113 Cb -0.32 -4.05 -0.17 0.00 1.34 0.00 0.00 72.50 69.31 1n4p s THR 113 CO 0.40 -0.57 0.55 0.00 -0.54 0.00 0.00 174.62 174.47 1n4p n ALA 114 N 5.16 -2.90 -3.65 3.99 0.00 -1.26 -5.00 120.51 116.85 1n4p n ALA 114 Ca -0.12 0.44 -0.05 0.00 0.00 0.00 0.00 53.44 53.71 1n4p n ALA 114 Cb 0.43 -1.58 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.88 -1.10 0.42 0.00 5.04 -1.26 -5.06 115.29 112.44 1n4p s HIS 115 Ca 0.65 2.04 0.25 0.00 -1.54 0.00 0.00 55.06 56.46 1n4p s HIS 115 Cb -0.93 0.62 1.28 0.00 0.04 0.00 0.00 32.58 33.59 1n4p s HIS 115 CO 0.55 -0.56 1.68 -1.35 -2.34 0.00 0.00 174.74 172.72 1n4p h PRO 116 N 7.58 0.21 0.00 2.88 0.11 -2.05 -2.82 132.00 137.91 1n4p h PRO 116 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1n4p h PRO 116 Cb 1.16 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1n4p h PRO 116 CO 0.14 0.14 -0.05 0.66 -0.21 0.00 0.00 178.00 178.69 1n4p n TYR 117 N -4.69 0.00 -3.28 0.65 4.01 -1.26 -5.02 117.16 107.57 1n4p n TYR 117 Ca 0.32 -0.74 -0.38 0.00 -0.16 0.00 0.00 57.90 56.94 1n4p n TYR 117 Cb 1.19 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 40.05 1n4p n TYR 117 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1n4p s ASP 118 N -2.11 6.63 0.20 7.72 2.15 -1.07 -5.03 116.67 125.17 1n4p s ASP 118 Ca 0.20 0.75 -0.23 0.00 0.43 0.00 0.00 52.55 53.70 1n4p s ASP 118 Cb 0.17 -2.29 0.05 0.00 -0.30 0.00 0.00 42.92 40.55 1n4p s ASP 118 CO 0.02 -0.09 0.80 -0.94 -0.17 0.00 0.00 175.17 174.79 1n4p s SER 119 N 0.88 -0.28 0.81 -0.34 1.04 -1.26 -4.91 113.70 109.64 1n4p s SER 119 Ca 0.25 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 56.15 1n4p s SER 119 Cb -0.15 0.61 0.10 0.00 0.10 0.00 0.00 66.02 66.67 1n4p s SER 119 CO 0.10 -1.09 1.16 -0.83 0.98 0.00 0.00 173.24 173.56 1n4p s GLY 120 N -2.87 1.66 -0.09 7.32 0.00 -0.48 -4.64 107.32 108.22 1n4p s GLY 120 Ca 0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 43.95 1n4p s GLY 120 CO 0.02 -0.34 -0.06 -1.58 0.00 0.00 0.00 173.10 171.14 1n4p s HIS 121 N -3.55 1.18 0.33 1.90 5.04 -0.07 -4.56 115.29 115.56 1n4p s HIS 121 Ca 0.64 -0.51 0.11 0.00 -1.54 0.00 0.00 55.06 53.76 1n4p s HIS 121 Cb -0.09 -1.04 0.97 0.00 0.04 0.00 0.00 32.58 32.45 1n4p s HIS 121 CO 0.49 -0.41 1.68 0.97 -2.34 0.00 0.00 174.74 175.12 1n4p h ILE 122 N 6.19 0.36 0.00 0.89 2.10 -0.94 0.47 117.51 126.59 1n4p h ILE 122 Ca -0.28 -0.13 -0.05 0.00 1.08 0.00 0.00 64.86 65.48 1n4p h ILE 122 Cb 1.14 -0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 1n4p h ILE 122 CO 0.38 0.07 -0.24 0.00 -1.08 0.00 0.00 178.15 177.28 1n4p h ALA 123 N 1.81 1.02 0.13 0.18 0.00 -1.94 -1.86 119.26 118.59 1n4p h ALA 123 Ca 0.68 -0.22 -0.31 0.00 0.00 0.00 0.00 54.91 55.06 1n4p h ALA 123 Cb 1.46 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1n4p h ALA 123 CO -0.58 0.30 -1.58 0.52 0.00 0.00 0.00 179.25 177.91 1n4p h MET 124 N 0.00 0.27 -0.71 0.00 2.86 -0.46 -2.10 114.93 114.79 1n4p h MET 124 Ca -0.00 -0.47 -0.04 0.00 -2.06 0.00 0.00 59.70 57.13 1n4p h MET 124 Cb 0.76 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1n4p h MET 124 CO 0.03 1.14 0.30 1.15 1.06 0.00 0.00 176.91 180.59 1n4p h THR 125 N 0.07 1.24 0.76 2.22 2.02 -0.76 0.39 112.91 118.86 1n4p h THR 125 Ca -0.26 -0.75 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 1n4p h THR 125 Cb 2.03 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1n4p h THR 125 CO 0.16 0.30 -0.36 0.22 0.37 0.00 0.00 175.52 176.21 1n4p h TYR 126 N 1.01 -0.94 0.00 3.16 3.20 -1.40 -1.83 116.97 120.18 1n4p h TYR 126 Ca 0.24 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1n4p h TYR 126 Cb 0.19 0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1n4p h TYR 126 CO 0.01 -0.57 -0.15 1.79 -1.64 0.00 0.00 178.16 177.60 1n4p h THR 127 N -1.22 1.02 0.64 1.81 1.35 -1.32 -1.07 112.91 114.12 1n4p h THR 127 Ca -0.10 -0.54 -0.03 0.00 -0.55 0.00 0.00 66.41 65.19 1n4p h THR 127 Cb 0.79 1.30 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1n4p h THR 127 CO 0.17 0.15 -0.31 1.23 -0.25 0.00 0.00 175.52 176.52 1n4p h GLY 128 N 0.52 -0.89 0.73 5.82 0.00 -0.16 0.17 103.07 109.25 1n4p h GLY 128 Ca -0.00 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.71 1n4p h GLY 128 CO 0.02 -0.32 0.41 1.41 0.00 0.00 0.00 176.54 178.06 1n4p h LEU 129 N -1.06 0.63 -0.64 3.11 3.38 -1.18 -0.72 115.31 118.84 1n4p h LEU 129 Ca -0.09 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1n4p h LEU 129 Cb 0.70 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1n4p h LEU 129 CO 0.14 0.41 0.37 -1.28 0.09 0.00 0.00 178.44 178.18 1n4p h SER 130 N 0.77 0.59 -0.49 -0.43 0.87 -1.11 -1.81 113.55 111.94 1n4p h SER 130 Ca 0.31 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 1n4p h SER 130 Cb 0.15 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1n4p h SER 130 CO -0.16 0.40 0.13 0.00 -0.53 0.00 0.00 176.83 176.67 1n4p h LEU 132 N 0.66 0.07 -0.47 0.00 3.38 -0.71 -0.58 115.31 117.65 1n4p h LEU 132 Ca 0.15 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1n4p h LEU 132 Cb 0.30 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1n4p h LEU 132 CO -0.00 0.07 0.27 0.40 0.09 0.00 0.00 178.44 179.27 1n4p h ILE 133 N 0.23 1.16 -0.88 1.22 2.04 -1.20 -1.45 117.51 118.63 1n4p h ILE 133 Ca 0.17 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1n4p h ILE 133 Cb 0.18 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1n4p h ILE 133 CO -0.20 0.16 0.58 0.40 0.00 0.00 0.00 178.15 179.08 1n4p h ILE 134 N 0.62 1.14 0.00 -0.67 2.04 -0.82 -1.75 117.51 118.08 1n4p h ILE 134 Ca 0.17 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1n4p h ILE 134 Cb 0.02 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1n4p h ILE 134 CO -0.03 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.50 1n4p n LEU 135 N -4.45 0.00 0.00 1.44 4.77 -0.27 -4.90 117.00 113.59 1n4p n LEU 135 Ca 0.12 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1n4p n LEU 135 Cb 0.11 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1n4p n LEU 135 CO 0.35 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1n4p n GLY 136 N 1.02 0.35 3.67 -0.72 0.00 -0.66 -4.94 105.19 103.91 1n4p n GLY 136 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1n4p n GLY 136 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n4p n ASP 137 N 0.00 0.59 -0.96 1.61 -0.08 -0.59 -4.94 116.55 112.18 1n4p n ASP 137 Ca 0.00 0.51 0.10 0.00 -1.51 0.00 0.00 54.79 53.89 1n4p n ASP 137 Cb 0.00 -1.48 0.17 0.00 2.34 0.00 0.00 41.12 42.15 1n4p n ASP 137 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1n4p n ASP 138 N -3.59 3.14 -0.77 1.67 5.68 -1.26 -4.50 116.55 116.92 1n4p n ASP 138 Ca 0.13 -1.91 -0.10 0.00 -0.50 0.00 0.00 54.79 52.40 1n4p n ASP 138 Cb 0.51 -0.20 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 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 1.22 -0.50 0.21 -2.12 4.32 -1.26 -4.88 117.00 114.00 1n4p n LEU 139 Ca 0.16 0.25 0.05 0.00 -0.02 0.00 0.00 56.01 56.45 1n4p n LEU 139 Cb 0.53 -2.11 0.47 0.00 -1.62 0.00 0.00 43.42 40.69 1n4p n LEU 139 CO 0.13 -0.76 0.82 0.77 -1.22 0.00 0.00 177.39 177.13 1n4p h SER 140 N 0.00 0.00 -0.09 -1.43 4.64 -2.02 -2.27 113.55 112.37 1n4p h SER 140 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1n4p h SER 140 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1n4p h SER 140 CO 0.30 0.27 0.00 0.54 -0.87 0.00 0.00 176.83 177.07 1n4p n ARG 141 N -4.03 1.51 -3.19 4.77 1.74 -1.26 -4.81 116.66 111.39 1n4p n ARG 141 Ca -0.02 -0.76 -0.40 0.00 -0.77 0.00 0.00 57.85 55.91 1n4p n ARG 141 Cb 0.34 -1.39 -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 -1.88 5.07 -1.22 1.55 1.01 -0.86 -4.97 120.40 119.10 1n4p s VAL 142 Ca 0.33 1.06 -0.20 0.00 0.00 0.00 0.00 61.98 63.18 1n4p s VAL 142 Cb 0.17 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1n4p s VAL 142 CO 0.27 0.15 1.70 -0.62 0.00 0.00 0.00 175.10 176.60 1n4p s ASP 143 N 1.16 6.55 0.20 3.32 -1.08 -1.26 -4.81 116.67 120.75 1n4p s ASP 143 Ca 0.26 -2.11 -0.13 0.00 -0.52 0.00 0.00 52.55 50.05 1n4p s ASP 143 Cb -0.16 -2.58 0.22 0.00 -1.46 0.00 0.00 42.92 38.95 1n4p s ASP 143 CO 0.10 -1.46 1.65 0.11 0.52 0.00 0.00 175.17 176.09 1n4p h LYS 144 N 8.36 0.04 -0.36 4.34 1.57 -1.93 -0.85 116.57 127.74 1n4p h LYS 144 Ca 0.36 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1n4p h LYS 144 Cb 0.91 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1n4p h LYS 144 CO 1.42 0.03 0.17 0.93 -0.57 0.00 0.00 179.45 181.43 1n4p h GLU 145 N 0.04 0.49 -0.20 3.15 4.39 -1.99 -1.58 114.58 118.88 1n4p h GLU 145 Ca 0.28 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 1n4p h GLU 145 Cb 0.44 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1n4p h GLU 145 CO -0.55 0.39 -0.17 0.00 -1.16 0.00 0.00 179.01 177.53 1n4p h ALA 146 N 1.69 0.29 -0.44 3.43 0.00 -1.57 -1.12 119.26 121.54 1n4p h ALA 146 Ca 0.13 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1n4p h ALA 146 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1n4p h ALA 146 CO -0.02 0.19 0.27 0.00 0.00 0.00 0.00 179.25 179.69 1n4p h LEU 148 N 0.54 0.56 -0.48 0.00 3.38 -1.26 0.23 115.31 118.27 1n4p h LEU 148 Ca 0.17 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1n4p h LEU 148 Cb -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1n4p h LEU 148 CO -0.07 0.63 0.02 0.00 0.09 0.00 0.00 178.44 179.11 1n4p h ALA 149 N 1.44 0.65 -0.69 1.53 0.00 -0.45 -1.18 119.26 120.56 1n4p h ALA 149 Ca 0.12 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1n4p h ALA 149 Cb 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1n4p h ALA 149 CO 0.01 0.43 0.13 0.78 0.00 0.00 0.00 179.25 180.61 1n4p h GLY 150 N 0.70 1.21 0.99 0.00 0.00 -0.02 -2.74 103.07 103.20 1n4p h GLY 150 Ca 0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1n4p h GLY 150 CO 0.02 0.73 -0.21 -2.00 0.00 0.00 0.00 176.54 175.08 1n4p h LEU 151 N 1.05 -0.51 -0.92 3.11 6.46 -0.26 -2.70 115.31 121.55 1n4p h LEU 151 Ca 0.21 0.02 0.20 0.00 -0.12 0.00 0.00 57.88 58.19 1n4p h LEU 151 Cb 0.41 0.13 -0.11 0.00 -0.73 0.00 0.00 40.66 40.37 1n4p h LEU 151 CO 0.01 -0.36 0.47 0.03 -0.62 0.00 0.00 178.44 177.98 1n4p h ARG 152 N -0.59 0.54 0.00 1.25 3.08 -0.89 0.21 114.38 117.98 1n4p h ARG 152 Ca -0.06 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1n4p h ARG 152 Cb 0.45 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1n4p h ARG 152 CO 0.09 0.36 -0.02 0.00 -1.07 0.00 0.00 179.97 179.33 1n4p h ALA 153 N 1.66 1.19 0.00 0.04 0.00 -1.17 -2.52 119.26 118.45 1n4p h ALA 153 Ca 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1n4p h ALA 153 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n4p h ALA 153 CO -0.44 0.03 -0.39 -0.07 0.00 0.00 0.00 179.25 178.37 1n4p h LEU 154 N 0.00 0.00 -9.59 0.00 3.38 -0.44 -3.47 115.31 105.19 1n4p h LEU 154 Ca -0.00 -0.04 -0.52 0.00 0.09 0.00 0.00 57.88 57.41 1n4p h LEU 154 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1n4p h LEU 154 CO 0.00 0.02 0.49 -1.58 0.09 0.00 0.00 178.44 177.46 1n4p s GLN 155 N -3.23 4.55 0.64 1.13 0.74 -0.95 -1.62 119.66 120.93 1n4p s GLN 155 Ca 0.05 1.71 0.01 0.00 0.05 0.00 0.00 55.36 57.18 1n4p s GLN 155 Cb 0.09 -3.31 0.09 0.00 1.10 0.00 0.00 33.01 30.98 1n4p s GLN 155 CO 0.70 -0.03 0.89 -0.51 -0.55 0.00 0.00 175.29 175.80 1n4p s LEU 156 N 0.14 3.10 0.22 3.68 1.43 0.64 -4.98 118.68 122.91 1n4p s LEU 156 Ca 0.52 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 1n4p s LEU 156 Cb -0.29 -2.30 0.29 0.00 0.03 0.00 0.00 46.19 43.93 1n4p s LEU 156 CO 0.33 -1.54 1.82 -0.33 0.23 0.00 0.00 176.35 176.86 1n4p h GLU 157 N -0.24 0.77 0.00 1.70 4.39 -1.96 -1.69 114.58 117.56 1n4p h GLU 157 Ca -0.38 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1n4p h GLU 157 Cb 1.28 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1n4p h GLU 157 CO 0.45 0.51 0.00 -0.40 -1.16 0.00 0.00 179.01 178.41 1n4p n ASP 158 N -4.72 0.00 0.00 1.42 3.85 -1.26 -4.86 116.55 110.97 1n4p n ASP 158 Ca 0.10 -0.68 0.00 0.00 -0.71 0.00 0.00 54.79 53.50 1n4p n ASP 158 Cb 0.19 0.00 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 0.24 2.57 3.94 6.12 0.00 -0.63 -4.08 105.19 113.34 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 -1.38 3.16 0.18 1.61 1.04 -1.26 -3.96 113.70 113.09 1n4p s SER 160 Ca 0.00 0.14 0.09 0.00 0.48 0.00 0.00 55.95 56.66 1n4p s SER 160 Cb 0.00 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 1n4p s SER 160 CO 0.00 -2.70 -0.17 -0.36 0.98 0.00 0.00 173.24 170.99 1n4p s PHE 161 N -3.83 1.82 0.38 5.02 0.40 -1.26 -0.26 117.98 120.25 1n4p s PHE 161 Ca 0.74 -0.49 0.07 0.00 -0.60 0.00 0.00 56.93 56.66 1n4p s PHE 161 Cb -0.03 -0.88 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 1n4p s PHE 161 CO 0.52 0.37 0.46 0.00 0.70 0.00 0.00 175.22 177.27 1n4p h ALA 163 N 0.88 0.57 -3.33 0.00 0.00 -1.90 -3.44 119.26 112.04 1n4p h ALA 163 Ca -0.43 -1.39 -0.30 0.00 0.00 0.00 0.00 54.91 52.80 1n4p h ALA 163 Cb 1.27 0.54 -0.23 0.00 0.00 0.00 0.00 17.79 19.37 1n4p h ALA 163 CO 0.52 1.42 -0.74 0.14 0.00 0.00 0.00 179.25 180.58 1n4p s VAL 164 N -2.59 0.59 0.56 0.00 -7.23 -1.26 -0.29 120.40 110.18 1n4p s VAL 164 Ca -0.12 -0.95 0.24 0.00 -1.81 0.00 0.00 61.98 59.34 1n4p s VAL 164 Cb 0.07 -0.62 0.33 0.00 0.56 0.00 0.00 36.38 36.73 1n4p s VAL 164 CO 0.81 -0.27 2.14 1.55 -0.31 0.00 0.00 175.10 179.02 1n4p h PRO 165 N 4.75 0.00 0.00 4.82 0.13 -1.86 -0.53 132.00 139.31 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n4p h PRO 165 CO 0.42 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 1n4p n GLU 166 N -4.16 0.16 0.00 0.86 4.71 -1.26 -4.95 120.64 115.99 1n4p n GLU 166 Ca 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 57.16 57.60 1n4p n GLU 166 Cb 0.23 -1.83 0.00 0.00 -1.01 0.00 0.00 31.44 28.82 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 -0.30 2.74 0.24 0.62 0.00 -0.21 -5.17 105.19 103.12 1n4p n GLY 167 Ca 0.02 -1.67 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 1n4p n GLY 167 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4p n SER 168 N 0.00 -0.10 -4.79 1.61 3.41 -1.26 -4.74 113.62 107.75 1n4p n SER 168 Ca 0.00 -1.04 -0.33 0.00 -0.26 0.00 0.00 58.87 57.24 1n4p n SER 168 Cb 0.00 0.15 0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1n4p n SER 168 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1n4p s GLU 169 N -2.00 3.10 -0.04 4.33 1.03 -1.26 -4.86 118.70 118.99 1n4p s GLU 169 Ca 0.02 1.23 0.03 0.00 0.03 0.00 0.00 54.97 56.28 1n4p s GLU 169 Cb -0.00 -2.00 0.01 0.00 -0.80 0.00 0.00 34.13 31.33 1n4p s GLU 169 CO 0.00 -0.99 -0.11 0.54 -1.33 0.00 0.00 175.26 173.37 1n4p s ASN 170 N -2.84 1.49 0.21 0.83 4.22 -1.26 -4.12 114.94 113.48 1n4p s ASN 170 Ca 0.64 -0.24 -0.19 0.00 -2.14 0.00 0.00 52.86 50.93 1n4p s ASN 170 Cb -0.17 -0.51 0.07 0.00 1.28 0.00 0.00 41.25 41.92 1n4p s ASN 170 CO 0.41 0.06 0.92 -0.90 -2.04 0.00 0.00 177.10 175.55 1n4p n ASP 171 N 3.47 -1.74 -0.32 3.54 5.68 -1.21 -4.95 116.55 121.02 1n4p n ASP 171 Ca -0.20 -1.99 0.19 0.00 -0.50 0.00 0.00 54.79 52.29 1n4p n ASP 171 Cb 0.53 2.84 0.44 0.00 -1.14 0.00 0.00 41.12 43.80 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 0.51 -0.68 0.11 1.85 -1.75 -2.06 114.93 112.91 1n4p h MET 172 Ca -0.27 -0.03 0.13 0.00 -0.61 0.00 0.00 59.70 58.93 1n4p h MET 172 Cb 1.13 -0.11 -0.10 0.00 0.43 0.00 0.00 31.60 32.95 1n4p h MET 172 CO 0.35 0.34 0.18 0.00 -0.40 0.00 0.00 176.91 177.38 1n4p h ARG 173 N 0.52 0.29 0.00 0.39 3.08 -1.93 -0.43 114.38 116.30 1n4p h ARG 173 Ca 0.57 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.60 1n4p h ARG 173 Cb 1.23 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1n4p h ARG 173 CO -0.31 0.19 0.00 0.74 -1.07 0.00 0.00 179.97 179.53 1n4p h PHE 174 N 0.30 0.00 -0.35 3.04 0.05 -1.66 -2.44 116.94 115.88 1n4p h PHE 174 Ca 0.37 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.99 1n4p h PHE 174 Cb 0.57 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.52 1n4p h PHE 174 CO -0.24 0.00 -0.42 0.28 -0.18 0.00 0.00 178.31 177.76 1n4p h VAL 175 N 0.00 1.27 -0.62 -0.55 2.07 -1.06 -0.76 116.25 116.61 1n4p h VAL 175 Ca 0.00 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 1n4p h VAL 175 Cb 0.79 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1n4p h VAL 175 CO 0.00 0.53 0.11 0.22 0.02 0.00 0.00 177.57 178.45 1n4p h TYR 176 N 0.72 1.08 -0.31 1.57 3.20 -1.09 -1.08 116.97 121.06 1n4p h TYR 176 Ca 0.05 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1n4p h TYR 176 Cb 1.01 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1n4p h TYR 176 CO 0.06 0.92 0.17 0.00 -1.64 0.00 0.00 178.16 177.67 1n4p h ALA 178 N 1.05 0.76 -0.36 0.00 0.00 -0.97 -1.04 119.26 118.70 1n4p h ALA 178 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n4p h ALA 178 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1n4p h ALA 178 CO -0.02 0.15 0.23 0.77 0.00 0.00 0.00 179.25 180.38 1n4p h SER 179 N 0.77 0.43 -0.80 0.00 0.02 -0.79 -1.18 113.55 112.00 1n4p h SER 179 Ca 0.22 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1n4p h SER 179 Cb -0.05 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1n4p h SER 179 CO -0.07 0.34 0.38 0.00 -1.14 0.00 0.00 176.83 176.34 1n4p h ILE 181 N 1.15 0.84 -0.81 0.00 2.04 -0.87 -0.01 117.51 119.85 1n4p h ILE 181 Ca 0.28 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.82 1n4p h ILE 181 Cb 0.13 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1n4p h ILE 181 CO -0.03 0.09 0.53 0.00 0.00 0.00 0.00 178.15 178.73 1n4p h TYR 183 N 0.87 0.31 -0.47 0.00 3.20 -0.91 0.78 116.97 120.75 1n4p h TYR 183 Ca 0.35 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 62.07 1n4p h TYR 183 Cb 0.26 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1n4p h TYR 183 CO -0.00 0.56 -0.05 0.52 -1.64 0.00 0.00 178.16 177.56 1n4p h MET 184 N -0.03 0.86 0.00 1.82 2.86 -0.46 -1.27 114.93 118.70 1n4p h MET 184 Ca 0.04 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1n4p h MET 184 Cb 0.47 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1n4p h MET 184 CO 0.01 0.93 0.00 1.28 1.06 0.00 0.00 176.91 180.19 1n4p n LEU 185 N -4.31 0.00 -4.19 1.22 4.77 0.01 -4.89 117.00 109.62 1n4p n LEU 185 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1n4p n LEU 185 Cb 0.34 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1n4p n LEU 185 CO 0.43 0.00 -0.37 -3.20 -1.33 0.00 0.00 177.39 172.91 1n4p n ASN 186 N -0.82 0.37 -3.50 -1.43 5.15 -0.33 -4.93 115.26 109.76 1n4p n ASN 186 Ca 0.15 -1.17 -0.01 0.00 -0.60 0.00 0.00 54.58 52.95 1n4p n ASN 186 Cb 0.07 -2.16 -0.04 0.00 -0.53 0.00 0.00 39.78 37.12 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 -4.34 -1.01 -0.15 1.20 3.84 0.12 -5.02 114.94 109.58 1n4p s ASN 187 Ca 0.03 1.24 0.09 0.00 0.21 0.00 0.00 52.86 54.43 1n4p s ASN 187 Cb -0.02 2.07 0.53 0.00 -0.55 0.00 0.00 41.25 43.29 1n4p s ASN 187 CO 0.96 -0.24 1.32 0.79 -2.79 0.00 0.00 177.10 177.14 1n4p n TRP 188 N 5.43 1.32 0.76 0.43 7.02 -1.26 -4.02 117.44 127.12 1n4p n TRP 188 Ca -0.08 -0.46 0.10 0.00 -1.02 0.00 0.00 57.50 56.04 1n4p n TRP 188 Cb 0.50 -0.35 0.46 0.00 -2.42 0.00 0.00 31.31 29.50 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 0.44 0.00 0.00 -0.99 3.41 -1.26 -2.74 113.62 112.48 1n4p n SER 189 Ca 0.18 0.42 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 1n4p n SER 189 Cb 0.84 -0.47 0.35 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.62 -1.05 3.35 5.00 0.00 -1.26 -4.82 105.19 107.03 1n4p n GLY 190 Ca 0.06 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1n4p n GLY 190 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1n4p s MET 191 N -2.98 1.11 -0.88 1.61 0.23 -1.11 -2.47 119.30 114.82 1n4p s MET 191 Ca 0.08 -0.83 -0.17 0.00 -1.03 0.00 0.00 55.69 53.74 1n4p s MET 191 Cb 0.11 0.45 0.17 0.00 -1.53 0.00 0.00 34.83 34.03 1n4p s MET 191 CO 0.30 -0.43 0.96 0.34 -2.03 0.00 0.00 175.02 174.15 1n4p s ASP 192 N -2.85 6.69 0.29 -1.18 3.68 -1.26 -4.91 116.67 117.14 1n4p s ASP 192 Ca 0.06 -2.34 0.04 0.00 2.13 0.00 0.00 52.55 52.45 1n4p s ASP 192 Cb 0.02 -2.31 0.69 0.00 -1.45 0.00 0.00 42.92 39.86 1n4p s ASP 192 CO -0.08 -0.84 1.78 -0.03 0.13 0.00 0.00 175.17 176.12 1n4p h MET 193 N 8.35 0.73 -0.37 4.34 1.85 -1.98 -1.75 114.93 126.10 1n4p h MET 193 Ca 0.13 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.19 1n4p h MET 193 Cb 1.03 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.87 1n4p h MET 193 CO 0.94 0.49 0.21 -0.22 -0.40 0.00 0.00 176.91 177.93 1n4p h LYS 194 N 0.76 0.42 -0.34 0.39 3.64 -2.00 -0.21 116.57 119.24 1n4p h LYS 194 Ca 0.55 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.80 1n4p h LYS 194 Cb 0.82 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1n4p h LYS 194 CO -0.37 0.28 -0.23 0.87 -2.27 0.00 0.00 179.45 177.73 1n4p h LYS 195 N 0.44 0.66 -0.33 1.90 1.57 -1.72 -1.77 116.57 117.30 1n4p h LYS 195 Ca 0.15 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1n4p h LYS 195 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1n4p h LYS 195 CO -0.07 0.83 0.08 0.00 -0.57 0.00 0.00 179.45 179.72 1n4p h ALA 196 N 1.17 0.44 -0.90 3.86 0.00 -0.93 -1.34 119.26 121.56 1n4p h ALA 196 Ca 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1n4p h ALA 196 Cb 0.70 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1n4p h ALA 196 CO 0.05 0.11 0.59 0.82 0.00 0.00 0.00 179.25 180.82 1n4p h ILE 197 N 0.39 1.20 -0.73 0.00 2.04 -0.93 -0.83 117.51 118.64 1n4p h ILE 197 Ca 0.11 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1n4p h ILE 197 Cb 0.30 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 1n4p h ILE 197 CO 0.00 0.22 0.48 -1.28 0.00 0.00 0.00 178.15 177.56 1n4p h SER 198 N 1.18 0.81 -0.54 1.72 0.87 -0.92 -0.42 113.55 116.25 1n4p h SER 198 Ca 0.34 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1n4p h SER 198 Cb -0.08 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 1n4p h SER 198 CO -0.09 0.57 0.28 0.22 -0.53 0.00 0.00 176.83 177.28 1n4p h TYR 199 N 0.95 0.76 -0.69 2.24 3.20 -0.19 -1.40 116.97 121.84 1n4p h TYR 199 Ca 0.28 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1n4p h TYR 199 Cb -0.06 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 1n4p h TYR 199 CO -0.03 0.57 0.28 0.82 -1.64 0.00 0.00 178.16 178.16 1n4p h ILE 200 N 0.72 1.24 -0.23 1.81 2.04 -0.55 -2.61 117.51 119.93 1n4p h ILE 200 Ca 0.19 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1n4p h ILE 200 Cb 0.08 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1n4p h ILE 200 CO -0.03 0.31 0.09 0.03 0.00 0.00 0.00 178.15 178.55 1n4p h ARG 201 N 0.98 0.35 0.00 2.37 3.08 -0.82 -2.78 114.38 117.57 1n4p h ARG 201 Ca 0.23 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1n4p h ARG 201 Cb 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1n4p h ARG 201 CO -0.02 0.40 0.00 0.54 -1.07 0.00 0.00 179.97 179.82 1n4p n ARG 202 N -4.80 0.00 0.00 0.04 1.74 -0.55 -1.79 116.66 111.30 1n4p n ARG 202 Ca -0.03 0.37 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 1n4p n ARG 202 Cb 0.13 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.50 0.79 -4.69 0.55 3.41 -1.00 -3.86 113.62 107.32 1n4p n SER 203 Ca 0.02 -0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 57.59 1n4p n SER 203 Cb 0.09 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.72 4.25 0.80 4.33 -2.45 -0.74 -1.51 119.30 121.26 1n4p s MET 204 Ca 0.18 2.10 -0.10 0.00 -1.25 0.00 0.00 55.69 56.62 1n4p s MET 204 Cb 0.18 -3.59 0.10 0.00 1.25 0.00 0.00 34.83 32.77 1n4p s MET 204 CO 0.60 -0.64 1.14 0.45 1.05 0.00 0.00 175.02 177.62 1n4p s SER 205 N 2.10 4.36 0.53 1.11 0.15 -0.13 -4.88 113.70 116.95 1n4p s SER 205 Ca 0.68 0.55 0.31 0.00 0.70 0.00 0.00 55.95 58.18 1n4p s SER 205 Cb -0.34 -1.01 1.42 0.00 -1.71 0.00 0.00 66.02 64.38 1n4p s SER 205 CO 0.29 -1.95 2.02 0.10 1.20 0.00 0.00 173.24 174.90 1n4p h TYR 206 N -0.99 0.00 -0.17 3.44 -0.00 -1.94 -1.33 116.97 115.98 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 0.05 0.09 0.00 -0.40 -0.00 0.00 0.00 178.16 177.90 1n4p n ASP 207 N -3.31 1.56 0.00 0.10 3.85 -1.26 -4.94 116.55 112.55 1n4p n ASP 207 Ca -0.01 -1.72 0.00 0.00 -0.71 0.00 0.00 54.79 52.35 1n4p n ASP 207 Cb 0.29 -0.11 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 -0.17 -4.53 -1.12 3.02 -0.50 -4.80 115.26 107.42 1n4p n ASN 208 Ca 0.15 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.46 1n4p n ASN 208 Cb 0.30 -0.03 0.13 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 -1.98 1.75 -0.09 7.41 0.00 -1.26 -4.13 107.32 109.03 1n4p s GLY 209 Ca 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 44.72 42.89 1n4p s GLY 209 CO 0.00 -1.15 -0.03 1.08 0.00 0.00 0.00 173.10 173.00 1n4p s LEU 210 N -5.30 3.41 0.00 0.66 1.02 -1.26 -0.95 118.68 116.25 1n4p s LEU 210 Ca 0.69 0.05 0.05 0.00 0.02 0.00 0.00 54.13 54.95 1n4p s LEU 210 Cb -0.04 -1.77 0.05 0.00 0.02 0.00 0.00 46.19 44.45 1n4p s LEU 210 CO 0.46 0.34 0.42 0.00 0.02 0.00 0.00 176.35 177.59 1n4p n ALA 211 N 2.38 0.75 0.22 4.21 0.00 -0.57 -0.69 120.51 126.81 1n4p n ALA 211 Ca -0.18 -1.65 0.08 0.00 0.00 0.00 0.00 53.44 51.69 1n4p n ALA 211 Cb 0.53 0.60 0.51 0.00 0.00 0.00 0.00 19.45 21.10 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 -2.07 0.00 1.08 -1.87 -3.45 115.11 108.80 1n4p h GLN 212 Ca -0.24 0.00 0.23 0.00 -1.45 0.00 0.00 58.65 57.19 1n4p h GLN 212 Cb 0.96 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.31 1n4p h GLN 212 CO 0.37 0.25 0.64 0.20 -0.95 0.00 0.00 178.83 179.34 1n4p s GLY 213 N -4.27 -0.23 0.19 3.46 0.00 -1.26 -2.20 107.32 103.01 1n4p s GLY 213 Ca -0.02 0.23 -0.33 0.00 0.00 0.00 0.00 44.72 44.61 1n4p s GLY 213 CO 0.65 0.71 1.29 0.00 0.00 0.00 0.00 173.10 175.76 1n4p n ALA 214 N -0.54 0.03 0.00 3.20 0.00 -1.25 -2.16 120.51 119.80 1n4p n ALA 214 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1n4p n ALA 214 Cb 0.61 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 2.19 3.00 3.81 0.00 0.00 -1.26 -5.01 105.19 107.91 1n4p n GLY 215 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1n4p n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n4p s LEU 216 N 0.00 2.55 0.12 0.99 2.01 -0.92 -4.99 118.68 118.44 1n4p s LEU 216 Ca 0.00 1.25 -0.31 0.00 0.01 0.00 0.00 54.13 55.08 1n4p s LEU 216 Cb 0.00 -3.84 -0.08 0.00 0.01 0.00 0.00 46.19 42.28 1n4p s LEU 216 CO 0.00 -1.99 1.43 -0.70 1.01 0.00 0.00 176.35 176.10 1n4p s GLU 217 N -5.19 4.29 0.56 1.70 2.12 -1.26 -4.68 118.70 116.24 1n4p s GLU 217 Ca 0.61 2.13 -0.21 0.00 0.36 0.00 0.00 54.97 57.86 1n4p s GLU 217 Cb -0.14 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1n4p s GLU 217 CO 0.54 -0.49 1.28 -1.54 -0.54 0.00 0.00 175.26 174.52 1n4p s SER 218 N 1.20 5.31 -0.02 -1.70 1.04 -1.26 -4.33 113.70 113.93 1n4p s SER 218 Ca 0.66 2.59 -0.07 0.00 0.48 0.00 0.00 55.95 59.60 1n4p s SER 218 Cb -0.38 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.13 1n4p s SER 218 CO 0.30 -1.53 0.16 -2.28 0.98 0.00 0.00 173.24 170.88 1n4p s HIS 219 N -1.42 -0.05 0.30 5.02 2.46 0.13 -4.82 115.29 116.92 1n4p s HIS 219 Ca 0.73 0.08 0.03 0.00 0.47 0.00 0.00 55.06 56.37 1n4p s HIS 219 Cb -0.36 -0.00 0.60 0.00 -0.13 0.00 0.00 32.58 32.69 1n4p s HIS 219 CO 0.41 -0.23 1.86 0.78 -2.47 0.00 0.00 174.74 175.09 1n4p h GLY 220 N 4.76 1.49 0.73 1.59 0.00 0.11 0.23 103.07 111.98 1n4p h GLY 220 Ca -0.29 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 1n4p h GLY 220 CO 0.40 0.18 0.00 -1.33 0.00 0.00 0.00 176.54 175.79 1n4p h GLY 221 N 0.95 0.03 2.00 4.60 0.00 -1.92 -2.08 103.07 106.66 1n4p h GLY 221 Ca 0.46 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.67 1n4p h GLY 221 CO -0.23 0.02 -0.48 1.48 0.00 0.00 0.00 176.54 177.33 1n4p h SER 222 N -0.24 0.00 -0.48 0.19 4.64 -1.75 -1.72 113.55 114.19 1n4p h SER 222 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1n4p h SER 222 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1n4p h SER 222 CO 0.00 0.48 0.09 0.74 -0.87 0.00 0.00 176.83 177.27 1n4p h THR 223 N 0.00 1.24 -0.19 2.95 2.02 -0.90 0.28 112.91 118.32 1n4p h THR 223 Ca -0.00 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1n4p h THR 223 Cb 0.90 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1n4p h THR 223 CO 0.06 0.32 0.12 0.15 0.37 0.00 0.00 175.52 176.54 1n4p h PHE 224 N 0.65 0.24 -0.64 3.16 3.57 -1.10 -0.52 116.94 122.31 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 0.37 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1n4p h PHE 224 CO 0.03 0.18 0.36 0.00 -2.23 0.00 0.00 178.31 176.64 1n4p h GLY 226 N 0.68 -0.26 0.99 0.00 0.00 -0.73 -1.44 103.07 102.32 1n4p h GLY 226 Ca 0.28 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.71 1n4p h GLY 226 CO -0.16 -0.09 0.22 -2.22 0.00 0.00 0.00 176.54 174.29 1n4p h ILE 227 N -0.63 1.08 -0.83 2.60 1.08 -0.96 -1.87 117.51 117.98 1n4p h ILE 227 Ca -0.03 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.26 1n4p h ILE 227 Cb 0.46 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 1n4p h ILE 227 CO 0.04 0.08 0.40 0.00 -0.69 0.00 0.00 178.15 177.98 1n4p h ALA 228 N 1.13 1.14 -0.45 1.87 0.00 -0.55 -1.06 119.26 121.34 1n4p h ALA 228 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n4p h ALA 228 Cb -0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1n4p h ALA 228 CO -0.03 0.65 0.28 0.77 0.00 0.00 0.00 179.25 180.92 1n4p h SER 229 N 1.19 0.53 -0.68 0.00 0.02 -0.86 -0.01 113.55 113.73 1n4p h SER 229 Ca 0.29 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1n4p h SER 229 Cb 0.12 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1n4p h SER 229 CO -0.04 0.41 0.26 -0.07 -1.14 0.00 0.00 176.83 176.25 1n4p h LEU 230 N 0.60 0.97 -0.33 5.07 3.38 -0.87 -1.23 115.31 122.90 1n4p h LEU 230 Ca 0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1n4p h LEU 230 Cb -0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1n4p h LEU 230 CO -0.03 0.87 0.09 0.00 0.09 0.00 0.00 178.44 179.46 1n4p h LEU 232 N 0.37 0.34 0.00 0.00 4.07 -0.66 0.20 115.31 119.63 1n4p h LEU 232 Ca 0.10 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1n4p h LEU 232 Cb 0.27 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1n4p h LEU 232 CO -0.00 0.23 -0.24 0.23 -1.08 0.00 0.00 178.44 177.58 1n4p n MET 233 N -4.48 0.17 -3.05 1.13 2.81 -0.50 -4.94 117.12 108.27 1n4p n MET 233 Ca 0.04 0.10 -0.13 0.00 -1.81 0.00 0.00 57.70 55.90 1n4p n MET 233 Cb 0.18 -1.66 0.05 0.00 -0.71 0.00 0.00 33.22 31.08 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 1.39 0.03 0.69 3.03 0.00 0.71 -4.95 105.19 106.08 1n4p n GLY 234 Ca 0.05 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.07 0.19 0.32 1.61 5.02 -0.02 -4.90 118.16 117.31 1n4p n LYS 235 Ca -0.06 -1.47 -0.18 0.00 -2.02 0.00 0.00 58.31 54.58 1n4p n LYS 235 Cb 0.56 -0.53 -0.09 0.00 -0.02 0.00 0.00 35.03 34.95 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 0.27 -1.26 -1.11 -0.35 6.46 -1.90 -0.87 115.31 116.54 1n4p h LEU 236 Ca -0.05 0.09 0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1n4p h LEU 236 Cb 1.46 0.40 -0.07 0.00 -0.73 0.00 0.00 40.66 41.72 1n4p h LEU 236 CO 0.02 -0.66 0.60 -0.33 -0.62 0.00 0.00 178.44 177.46 1n4p h GLU 237 N -1.01 0.97 -0.17 1.25 4.39 -1.91 -1.98 114.58 116.14 1n4p h GLU 237 Ca -0.07 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.43 1n4p h GLU 237 Cb 0.86 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1n4p h GLU 237 CO -0.02 0.64 -0.50 1.49 -1.16 0.00 0.00 179.01 179.47 1n4p h GLU 238 N 1.00 0.45 0.21 2.33 4.81 -1.85 -3.34 114.58 118.19 1n4p h GLU 238 Ca 0.43 -0.26 -0.32 0.00 -0.13 0.00 0.00 59.36 59.07 1n4p h GLU 238 Cb 0.32 0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.74 1n4p h GLU 238 CO -0.18 0.85 -1.52 0.28 -0.73 0.00 0.00 179.01 177.71 1n4p h VAL 239 N 0.36 1.15 -3.66 0.32 2.07 -0.72 -3.46 116.25 112.29 1n4p h VAL 239 Ca 0.02 -2.58 -0.67 0.00 0.82 0.00 0.00 66.70 64.28 1n4p h VAL 239 Cb 1.00 2.92 -0.23 0.00 -1.52 0.00 0.00 31.29 33.46 1n4p h VAL 239 CO 0.09 0.81 -0.74 -0.36 0.02 0.00 0.00 177.57 177.39 1n4p s PHE 240 N -2.56 2.82 0.95 1.57 2.99 -0.78 -5.08 117.98 117.89 1n4p s PHE 240 Ca -0.13 -0.27 -0.12 0.00 0.00 0.00 0.00 56.93 56.40 1n4p s PHE 240 Cb 0.04 -1.74 0.16 0.00 0.00 0.00 0.00 43.02 41.48 1n4p s PHE 240 CO 0.88 0.08 1.10 -1.54 -0.00 0.00 0.00 175.22 175.75 1n4p s SER 241 N -0.32 3.06 0.24 1.36 1.04 -1.26 -4.61 113.70 113.21 1n4p s SER 241 Ca 0.03 1.17 -0.06 0.00 0.48 0.00 0.00 55.95 57.58 1n4p s SER 241 Cb -0.13 -1.82 0.23 0.00 0.10 0.00 0.00 66.02 64.41 1n4p s SER 241 CO 0.02 -2.86 1.82 -0.08 0.98 0.00 0.00 173.24 173.13 1n4p h GLU 242 N -1.70 1.15 -0.54 4.02 4.81 -1.99 0.84 114.58 121.17 1n4p h GLU 242 Ca -0.52 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 58.50 1n4p h GLU 242 Cb 1.32 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1n4p h GLU 242 CO 0.58 0.90 0.23 -0.22 -0.73 0.00 0.00 179.01 179.78 1n4p h LYS 243 N 1.14 0.80 -0.26 1.92 1.63 -1.99 -0.96 116.57 118.85 1n4p h LYS 243 Ca 0.27 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1n4p h LYS 243 Cb 0.15 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1n4p h LYS 243 CO -0.03 0.69 0.07 0.93 -3.45 0.00 0.00 179.45 177.66 1n4p h GLU 244 N 0.74 0.41 -0.09 1.90 5.08 -1.77 -2.08 114.58 118.78 1n4p h GLU 244 Ca 0.18 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1n4p h GLU 244 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1n4p h GLU 244 CO -0.02 0.50 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.37 1n4p h LEU 245 N 0.25 0.11 -0.55 1.33 3.38 -0.67 -0.73 115.31 118.43 1n4p h LEU 245 Ca 0.08 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1n4p h LEU 245 Cb 0.28 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1n4p h LEU 245 CO 0.00 0.19 -0.22 0.78 0.09 0.00 0.00 178.44 179.28 1n4p h ASN 246 N 0.12 0.95 -0.45 -0.43 2.35 -0.81 -0.23 115.58 117.08 1n4p h ASN 246 Ca 0.03 -0.36 -0.09 0.00 -0.55 0.00 0.00 56.30 55.33 1n4p h ASN 246 Cb 0.18 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1n4p h ASN 246 CO 0.01 1.13 -0.06 0.03 -1.65 0.00 0.00 177.43 176.89 1n4p h ARG 247 N 0.80 0.84 -0.30 0.81 3.08 -0.64 -1.51 114.38 117.47 1n4p h ARG 247 Ca 0.10 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1n4p h ARG 247 Cb 0.78 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1n4p h ARG 247 CO 0.06 0.93 0.08 0.82 -1.07 0.00 0.00 179.97 180.79 1n4p h ILE 248 N 0.68 1.21 -0.78 2.04 2.04 -1.02 -1.30 117.51 120.39 1n4p h ILE 248 Ca 0.12 -0.68 0.09 0.00 1.00 0.00 0.00 64.86 65.38 1n4p h ILE 248 Cb 0.59 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1n4p h ILE 248 CO 0.04 0.23 0.43 0.11 0.00 0.00 0.00 178.15 178.96 1n4p h LYS 249 N 0.32 0.73 -0.61 2.37 1.57 -0.92 0.33 116.57 120.35 1n4p h LYS 249 Ca 0.09 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1n4p h LYS 249 Cb 0.27 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1n4p h LYS 249 CO -0.00 0.48 0.32 -0.09 -0.57 0.00 0.00 179.45 179.59 1n4p h ARG 250 N 0.75 0.86 -0.24 3.15 9.65 -0.93 -0.64 114.38 126.99 1n4p h ARG 250 Ca 0.37 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 59.12 1n4p h ARG 250 Cb 0.32 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1n4p h ARG 250 CO -0.23 0.67 0.09 2.35 2.80 0.00 0.00 179.97 185.65 1n4p h TRP 251 N 0.83 0.36 -0.01 2.20 7.01 -0.09 -2.57 115.95 123.68 1n4p h TRP 251 Ca 0.21 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 1n4p h TRP 251 Cb 0.08 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1n4p h TRP 251 CO -0.01 0.39 0.01 0.00 -2.79 0.00 0.00 178.44 176.04 1n4p h ILE 253 N -0.09 0.00 0.00 0.00 2.10 -1.13 -0.62 117.51 117.77 1n4p h ILE 253 Ca 0.01 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.72 1n4p h ILE 253 Cb 0.11 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 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 -2.57 0.17 0.24 2.19 2.81 -0.97 -3.27 117.12 115.72 1n4p n MET 254 Ca 0.00 0.02 0.15 0.00 -1.81 0.00 0.00 57.70 56.06 1n4p n MET 254 Cb 0.19 -1.50 0.45 0.00 -0.71 0.00 0.00 33.22 31.65 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 -6.37 0.03 2.47 -1.14 -3.44 114.38 105.93 1n4p h ARG 255 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1n4p h ARG 255 Cb 0.39 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1n4p h ARG 255 CO 0.00 0.00 0.49 -1.14 0.56 0.00 0.00 179.97 179.88 1n4p s GLN 256 N -3.44 4.48 -0.08 0.04 0.74 -1.20 -2.47 119.66 117.72 1n4p s GLN 256 Ca 0.04 1.50 0.02 0.00 0.05 0.00 0.00 55.36 56.97 1n4p s GLN 256 Cb 0.07 -3.47 -0.06 0.00 1.10 0.00 0.00 33.01 30.65 1n4p s GLN 256 CO 0.59 -0.20 -0.05 1.04 -0.55 0.00 0.00 175.29 176.12 1n4p n GLN 257 N 4.35 0.90 0.10 1.67 1.13 -1.26 -4.96 117.38 119.31 1n4p n GLN 257 Ca 0.08 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1n4p n GLN 257 Cb 0.49 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.67 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 -2.62 -1.75 -0.37 1.08 0.23 -1.26 -5.07 115.26 105.50 1n4p n ASN 258 Ca -0.14 0.58 0.00 0.00 -0.53 0.00 0.00 54.58 54.49 1n4p n ASN 258 Cb 0.68 1.86 0.00 0.00 -2.08 0.00 0.00 39.78 40.24 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 -1.30 1.71 3.32 4.83 0.00 -1.26 -2.28 105.19 110.21 1n4p n GLY 259 Ca 0.00 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 1n4p n GLY 259 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n4p s TYR 260 N 1.77 2.13 0.34 1.61 1.51 -1.26 -4.42 117.35 119.02 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 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1n4p s TYR 260 CO 0.00 0.16 0.24 -3.38 -1.11 0.00 0.00 175.55 171.47 1n4p s HIS 261 N -0.88 2.83 -0.38 2.71 -3.43 -1.03 -1.22 115.29 113.88 1n4p s HIS 261 Ca 0.11 -0.33 0.23 0.00 -0.80 0.00 0.00 55.06 54.26 1n4p s HIS 261 Cb -0.10 -1.76 0.24 0.00 -1.43 0.00 0.00 32.58 29.53 1n4p s HIS 261 CO 0.03 0.23 1.43 0.78 -2.00 0.00 0.00 174.74 175.20 1n4p h GLY 262 N 1.34 0.00 -3.70 -1.38 0.00 -1.86 -3.45 103.07 94.02 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 0.30 1.09 0.00 0.00 0.00 176.54 178.53 1n4p s ARG 263 N -3.26 1.01 0.21 4.80 1.70 -1.26 0.80 118.95 122.96 1n4p s ARG 263 Ca 0.05 -0.05 -0.29 0.00 -0.47 0.00 0.00 55.73 54.97 1n4p s ARG 263 Cb 0.07 0.47 -0.16 0.00 -0.57 0.00 0.00 34.95 34.76 1n4p s ARG 263 CO 0.71 -0.37 0.76 -2.30 -1.08 0.00 0.00 175.30 173.02 1n4p n PRO 264 N 0.35 0.53 -2.07 3.89 -0.02 -1.26 -2.33 135.00 134.08 1n4p n PRO 264 Ca -0.15 0.19 -0.21 0.00 -2.02 0.00 0.00 63.50 61.30 1n4p n PRO 264 Cb 0.60 -1.38 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 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 1.73 -5.75 -4.39 2.55 3.02 -1.26 -5.01 115.26 106.15 1n4p n ASN 265 Ca 0.15 0.20 -0.29 0.00 -0.03 0.00 0.00 54.58 54.61 1n4p n ASN 265 Cb 0.26 -4.89 -0.13 0.00 -0.61 0.00 0.00 39.78 34.41 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 -4.52 1.40 0.61 3.52 -0.14 -0.98 -5.13 119.74 114.51 1n4p s LYS 266 Ca 0.00 -1.35 -0.18 0.00 -1.36 0.00 0.00 55.97 53.07 1n4p s LYS 266 Cb 0.00 -1.90 -0.03 0.00 -1.68 0.00 0.00 37.83 34.23 1n4p s LYS 266 CO 0.00 0.45 1.23 -1.25 -0.76 0.00 0.00 175.35 175.02 1n4p s PRO 267 N -2.08 2.83 0.67 -1.68 0.04 -1.26 -4.77 135.00 128.74 1n4p s PRO 267 Ca 0.14 1.88 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 1n4p s PRO 267 Cb -0.10 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1n4p s PRO 267 CO 0.06 -1.33 1.09 0.14 0.04 0.00 0.00 177.00 177.00 1n4p s VAL 268 N -1.57 3.42 -0.11 -0.36 -7.23 -1.26 -4.50 120.40 108.79 1n4p s VAL 268 Ca 0.79 0.62 -0.05 0.00 -1.81 0.00 0.00 61.98 61.52 1n4p s VAL 268 Cb -0.32 -3.15 0.05 0.00 0.56 0.00 0.00 36.38 33.52 1n4p s VAL 268 CO 0.35 -0.45 0.26 -0.62 -0.31 0.00 0.00 175.10 174.33 1n4p s ASP 269 N -2.83 -0.19 0.32 4.85 -1.08 -0.36 -4.83 116.67 112.56 1n4p s ASP 269 Ca 0.65 0.56 0.08 0.00 -0.52 0.00 0.00 52.55 53.32 1n4p s ASP 269 Cb -0.19 0.48 0.94 0.00 -1.46 0.00 0.00 42.92 42.70 1n4p s ASP 269 CO 0.44 -0.18 1.54 0.41 0.52 0.00 0.00 175.17 177.90 1n4p n THR 270 N 4.41 -0.41 0.30 1.71 -1.04 -0.83 -0.93 114.28 117.49 1n4p n THR 270 Ca -0.22 2.11 0.16 0.00 -2.04 0.00 0.00 64.05 64.05 1n4p n THR 270 Cb 0.53 -3.19 0.94 0.00 -1.82 0.00 0.00 70.33 66.79 1n4p n THR 270 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4p h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.27 -1.37 116.97 114.38 1n4p h TYR 272 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1n4p h TYR 272 Cb 0.02 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 1n4p h TYR 272 CO 0.00 0.00 -0.04 0.77 -1.05 0.00 0.00 178.16 177.84 1n4p h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.24 0.80 113.55 117.00 1n4p h SER 273 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1n4p h SER 273 Cb 0.47 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1n4p h SER 273 CO 0.00 0.04 -1.70 0.33 -1.14 0.00 0.00 176.83 174.36 1n4p n PHE 274 N -3.70 0.32 -0.05 3.45 7.35 -0.58 -3.18 117.46 121.07 1n4p n PHE 274 Ca -0.03 0.14 -0.11 0.00 -0.76 0.00 0.00 57.45 56.69 1n4p n PHE 274 Cb 0.13 -0.88 -0.05 0.00 0.35 0.00 0.00 39.48 39.02 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 -1.20 0.04 -5.13 -0.00 -1.24 0.79 115.95 108.20 1n4p h TRP 275 Ca -0.39 0.06 -0.10 0.00 -0.00 0.00 0.00 58.89 58.45 1n4p h TRP 275 Cb 1.29 0.56 0.01 0.00 -0.00 0.00 0.00 29.16 31.02 1n4p h TRP 275 CO -0.14 -0.46 -0.41 0.28 -0.00 0.00 0.00 178.44 177.71 1n4p h VAL 276 N -0.42 1.57 -0.55 1.49 2.07 -1.08 -3.06 116.25 116.27 1n4p h VAL 276 Ca 0.10 -2.21 0.08 0.00 0.82 0.00 0.00 66.70 65.50 1n4p h VAL 276 Cb 0.61 2.98 -0.07 0.00 -1.52 0.00 0.00 31.29 33.29 1n4p h VAL 276 CO -0.46 0.61 0.19 1.23 0.02 0.00 0.00 177.57 179.16 1n4p h GLY 277 N -0.50 0.74 1.77 2.17 0.00 -1.39 0.32 103.07 106.19 1n4p h GLY 277 Ca -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1n4p h GLY 277 CO 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 176.54 176.50 1n4p h ALA 278 N 1.38 1.48 -0.27 3.60 0.00 0.50 0.09 119.26 126.03 1n4p h ALA 278 Ca 0.27 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1n4p h ALA 278 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1n4p h ALA 278 CO -0.28 0.37 -0.08 1.15 0.00 0.00 0.00 179.25 180.41 1n4p h THR 279 N 0.27 1.28 -0.88 0.00 2.02 -1.08 -0.71 112.91 113.82 1n4p h THR 279 Ca 0.06 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1n4p h THR 279 Cb 0.37 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 1n4p h THR 279 CO 0.02 0.35 0.56 -0.07 0.37 0.00 0.00 175.52 176.75 1n4p h LEU 280 N 0.28 1.03 -0.59 2.58 3.38 -0.39 -0.13 115.31 121.46 1n4p h LEU 280 Ca 0.07 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1n4p h LEU 280 Cb 0.56 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1n4p h LEU 280 CO 0.03 0.76 0.16 0.50 0.09 0.00 0.00 178.44 179.98 1n4p h LYS 281 N 1.20 0.94 0.00 1.13 1.63 -0.71 -0.89 116.57 119.87 1n4p h LYS 281 Ca 0.32 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1n4p h LYS 281 Cb -0.11 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 1n4p h LYS 281 CO -0.07 0.86 -0.26 -0.07 -3.45 0.00 0.00 179.45 176.47 1n4p h LEU 282 N 0.86 0.00 -1.52 5.20 3.38 -0.15 -1.42 115.31 121.65 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 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1n4p h LEU 282 CO -0.00 0.26 0.00 0.18 0.09 0.00 0.00 178.44 178.97 1n4p n LEU 283 N -3.93 2.23 -2.61 1.67 4.77 -0.15 -4.94 117.00 114.03 1n4p n LEU 283 Ca -0.02 -1.06 -0.21 0.00 -0.03 0.00 0.00 56.01 54.70 1n4p n LEU 283 Cb 0.34 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1n4p n LEU 283 CO 0.35 0.53 -0.18 0.29 -1.33 0.00 0.00 177.39 177.06 1n4p n LYS 284 N 0.70 -2.74 -0.16 3.23 5.02 -0.54 -4.87 118.16 118.81 1n4p n LYS 284 Ca 0.15 0.95 0.02 0.00 -2.02 0.00 0.00 58.31 57.41 1n4p n LYS 284 Cb 0.37 -5.68 0.02 0.00 -0.02 0.00 0.00 35.03 29.73 1n4p n LYS 284 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1n4p n ILE 285 N -4.13 0.53 0.19 -0.18 -5.35 -0.45 -4.74 119.36 105.23 1n4p n ILE 285 Ca -0.20 -0.60 0.04 0.00 -0.27 0.00 0.00 62.75 61.72 1n4p n ILE 285 Cb 0.66 0.53 0.43 0.00 -1.74 0.00 0.00 39.64 39.53 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 0.06 -0.05 4.28 3.57 -1.81 -1.93 116.94 121.06 1n4p h PHE 286 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1n4p h PHE 286 Cb 1.02 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1n4p h PHE 286 CO 0.03 0.28 0.14 -0.56 -2.23 0.00 0.00 178.31 175.97 1n4p h GLN 287 N 0.05 0.00 -0.20 1.11 3.07 -1.89 -1.15 115.11 116.10 1n4p h GLN 287 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1n4p h GLN 287 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 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 -3.28 0.24 -2.12 0.06 0.53 -0.72 -4.93 117.16 106.94 1n4p n TYR 288 Ca -0.02 -0.12 -0.27 0.00 -1.02 0.00 0.00 57.90 56.48 1n4p n TYR 288 Cb 0.21 0.00 0.08 0.00 -1.03 0.00 0.00 39.34 38.60 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 -1.76 2.19 -0.48 -0.72 -4.23 -0.44 -5.02 115.64 105.19 1n4p s THR 289 Ca 0.34 -0.20 -0.23 0.00 -1.18 0.00 0.00 61.69 60.43 1n4p s THR 289 Cb 0.20 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 71.08 1n4p s THR 289 CO 0.30 0.00 0.79 0.21 -0.54 0.00 0.00 174.62 175.38 1n4p s ASN 290 N -4.54 6.36 0.02 3.99 3.84 -1.26 -4.95 114.94 118.39 1n4p s ASN 290 Ca 0.61 -0.30 -0.23 0.00 0.21 0.00 0.00 52.86 53.14 1n4p s ASN 290 Cb -0.11 -2.38 -0.17 0.00 -0.55 0.00 0.00 41.25 38.04 1n4p s ASN 290 CO 0.46 -0.98 1.36 -0.26 -2.79 0.00 0.00 177.10 174.89 1n4p h PHE 291 N 9.06 0.15 -0.27 0.43 0.05 -1.95 -3.21 116.94 121.21 1n4p h PHE 291 Ca -0.25 -0.04 0.04 0.00 3.82 0.00 0.00 57.97 61.54 1n4p h PHE 291 Cb 1.08 -0.04 -0.04 0.00 2.00 0.00 0.00 35.95 38.96 1n4p h PHE 291 CO 0.82 0.51 0.01 1.49 -0.18 0.00 0.00 178.31 180.96 1n4p h GLU 292 N -0.25 0.10 -0.21 1.51 4.57 -1.97 0.95 114.58 119.29 1n4p h GLU 292 Ca 0.01 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1n4p h GLU 292 Cb 0.47 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1n4p h GLU 292 CO 0.01 0.06 -0.13 0.87 -1.18 0.00 0.00 179.01 178.64 1n4p h LYS 293 N 0.10 0.33 0.05 1.92 1.57 -1.85 0.26 116.57 118.96 1n4p h LYS 293 Ca 0.13 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1n4p h LYS 293 Cb 0.16 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1n4p h LYS 293 CO -0.20 0.47 -0.02 -0.97 -0.57 0.00 0.00 179.45 178.16 1n4p h ASN 294 N 0.31 -0.06 -0.61 0.86 -1.24 -1.02 -1.83 115.58 112.00 1n4p h ASN 294 Ca 0.06 -0.48 0.04 0.00 0.71 0.00 0.00 56.30 56.64 1n4p h ASN 294 Cb 0.43 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.45 1n4p h ASN 294 CO 0.03 0.47 0.35 -0.09 -1.29 0.00 0.00 177.43 176.89 1n4p h ARG 295 N -0.60 0.65 -0.50 6.67 2.43 -0.60 -1.21 114.38 121.22 1n4p h ARG 295 Ca -0.01 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1n4p h ARG 295 Cb 0.53 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1n4p h ARG 295 CO 0.01 0.43 0.29 -0.97 -1.51 0.00 0.00 179.97 178.22 1n4p h ASN 296 N 0.67 0.46 0.17 -3.80 -1.24 -0.48 -1.80 115.58 109.56 1n4p h ASN 296 Ca 0.26 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 1n4p h ASN 296 Cb 0.10 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1n4p h ASN 296 CO -0.14 0.32 -0.08 0.22 -1.29 0.00 0.00 177.43 176.46 1n4p h TYR 297 N 0.58 -0.22 -0.42 0.67 3.20 -0.74 -1.95 116.97 118.09 1n4p h TYR 297 Ca 0.21 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.16 1n4p h TYR 297 Cb 0.04 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.30 1n4p h TYR 297 CO -0.07 -0.01 -0.18 0.82 -1.64 0.00 0.00 178.16 177.08 1n4p h ILE 298 N -0.38 0.45 0.00 1.81 2.04 -1.09 0.07 117.51 120.40 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 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 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 -0.09 0.00 -0.16 1.44 3.38 -1.27 -1.42 115.31 117.19 1n4p h LEU 299 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1n4p h LEU 299 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1n4p h LEU 299 CO -0.48 0.10 0.00 -1.54 0.09 0.00 0.00 178.44 176.61 1n4p n SER 300 N -3.99 0.18 -0.98 -0.43 3.41 -0.00 -1.85 113.62 109.96 1n4p n SER 300 Ca -0.02 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.21 1n4p n SER 300 Cb 0.19 -0.58 0.22 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.69 0.89 -2.57 6.66 -2.24 -0.54 -4.27 114.28 110.52 1n4p n THR 301 Ca 0.04 -0.95 -0.41 0.00 -2.27 0.00 0.00 64.05 60.46 1n4p n THR 301 Cb 0.21 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.05 4.61 -0.58 -0.78 0.74 -0.77 -0.92 119.66 120.90 1n4p s GLN 302 Ca 0.35 1.64 -0.20 0.00 0.05 0.00 0.00 55.36 57.20 1n4p s GLN 302 Cb 0.19 -3.32 0.09 0.00 1.10 0.00 0.00 33.01 31.06 1n4p s GLN 302 CO 0.25 0.08 0.73 0.34 -0.55 0.00 0.00 175.29 176.14 1n4p s ASP 303 N 0.07 6.19 0.40 6.67 -1.08 -0.42 -4.91 116.67 123.59 1n4p s ASP 303 Ca 0.50 -1.23 0.28 0.00 -0.52 0.00 0.00 52.55 51.58 1n4p s ASP 303 Cb -0.27 -2.32 1.31 0.00 -1.46 0.00 0.00 42.92 40.17 1n4p s ASP 303 CO 0.33 -1.12 1.85 0.03 0.52 0.00 0.00 175.17 176.78 1n4p h ARG 304 N 9.21 0.00 0.00 4.34 3.08 -1.88 0.15 114.38 129.27 1n4p h ARG 304 Ca -0.29 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.65 1n4p h ARG 304 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1n4p h ARG 304 CO 1.08 0.00 -0.96 -0.11 -1.07 0.00 0.00 179.97 178.91 1n4p n LEU 305 N -2.56 1.85 0.01 3.04 -0.00 -1.26 -4.64 117.00 113.45 1n4p n LEU 305 Ca 0.00 0.51 0.11 0.00 -0.00 0.00 0.00 56.01 56.64 1n4p n LEU 305 Cb 0.18 -0.89 -0.05 0.00 -0.00 0.00 0.00 43.42 42.67 1n4p n LEU 305 CO 0.19 -0.12 -0.17 1.33 -0.00 0.00 0.00 177.39 178.62 1n4p n VAL 306 N -4.51 0.10 0.00 1.96 0.24 -1.24 -5.09 118.33 109.78 1n4p n VAL 306 Ca -0.20 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1n4p n VAL 306 Cb 0.48 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 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 1.38 -0.10 0.54 7.63 0.00 0.51 -4.48 105.19 110.66 1n4p n GLY 307 Ca 0.01 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.31 -1.79 3.36 -0.02 0.00 -1.26 -4.29 105.19 100.87 1n4p n GLY 308 Ca 0.00 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.87 1.85 0.49 1.61 0.40 -1.26 -1.30 117.98 117.89 1n4p s PHE 309 Ca 0.00 -0.49 0.05 0.00 -0.60 0.00 0.00 56.93 55.89 1n4p s PHE 309 Cb 0.00 -0.88 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 1n4p s PHE 309 CO 0.00 0.39 0.20 0.00 0.70 0.00 0.00 175.22 176.52 1n4p s ALA 310 N -2.45 4.05 0.11 5.36 0.00 -0.10 -2.53 121.76 126.19 1n4p s ALA 310 Ca 0.20 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 1n4p s ALA 310 Cb -0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 23.12 22.57 1n4p s ALA 310 CO 0.08 -0.22 1.30 1.57 0.00 0.00 0.00 175.76 178.48 1n4p h LYS 311 N 1.16 0.72 -5.48 0.00 2.10 -1.88 -3.40 116.57 109.79 1n4p h LYS 311 Ca -0.41 -0.63 -0.44 0.00 -2.00 0.00 0.00 60.65 57.18 1n4p h LYS 311 Cb 1.29 0.14 -0.14 0.00 -0.90 0.00 0.00 32.23 32.62 1n4p h LYS 311 CO 0.67 1.23 -0.72 -1.58 -2.00 0.00 0.00 179.45 177.05 1n4p s TRP 312 N -3.63 1.67 0.50 0.07 0.51 -1.26 -1.96 118.94 114.84 1n4p s TRP 312 Ca -0.09 -0.62 -0.22 0.00 -2.12 0.00 0.00 56.10 53.05 1n4p s TRP 312 Cb 0.08 -0.81 -0.06 0.00 -0.81 0.00 0.00 33.47 31.88 1n4p s TRP 312 CO 0.90 0.31 1.23 -1.25 -0.51 0.00 0.00 176.95 177.63 1n4p s PRO 313 N -3.67 3.51 -1.45 4.98 0.04 -1.26 -2.73 135.00 134.42 1n4p s PRO 313 Ca 0.23 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 1n4p s PRO 313 Cb 0.00 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1n4p s PRO 313 CO 0.07 -0.80 0.08 -0.40 0.04 0.00 0.00 177.00 175.99 1n4p n ASP 314 N -0.73 -5.13 -4.53 6.66 3.85 -1.26 -5.00 116.55 110.41 1n4p n ASP 314 Ca 0.09 -0.05 -0.25 0.00 -0.71 0.00 0.00 54.79 53.87 1n4p n ASP 314 Cb 0.47 -4.18 -0.10 0.00 -1.35 0.00 0.00 41.12 35.96 1n4p n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1n4p s SER 315 N -2.30 3.78 0.14 -1.12 0.15 -1.10 -5.11 113.70 108.13 1n4p s SER 315 Ca 0.04 -1.05 -0.30 0.00 0.70 0.00 0.00 55.95 55.34 1n4p s SER 315 Cb -0.02 -0.38 -0.07 0.00 -1.71 0.00 0.00 66.02 63.84 1n4p s SER 315 CO 0.05 -0.07 1.09 -1.00 1.20 0.00 0.00 173.24 174.51 1n4p s HIS 316 N -2.53 3.60 0.68 3.44 3.76 -1.26 -4.71 115.29 118.27 1n4p s HIS 316 Ca 0.31 1.58 -0.12 0.00 -0.15 0.00 0.00 55.06 56.69 1n4p s HIS 316 Cb -0.02 -3.26 0.00 0.00 1.11 0.00 0.00 32.58 30.41 1n4p s HIS 316 CO 0.16 -0.58 1.06 -1.25 -0.85 0.00 0.00 174.74 173.29 1n4p s PRO 317 N -0.03 2.92 0.13 8.40 0.04 -1.26 -4.59 135.00 140.62 1n4p s PRO 317 Ca 0.51 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.47 1n4p s PRO 317 Cb -0.28 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1n4p s PRO 317 CO 0.33 -1.11 0.33 0.16 0.04 0.00 0.00 177.00 176.75 1n4p s ASP 318 N -3.47 -0.08 0.27 6.66 1.47 -1.05 -4.95 116.67 115.52 1n4p s ASP 318 Ca 0.60 -0.54 -0.00 0.00 1.18 0.00 0.00 52.55 53.78 1n4p s ASP 318 Cb -0.15 0.44 0.50 0.00 -0.34 0.00 0.00 42.92 43.37 1n4p s ASP 318 CO 0.51 -0.85 1.84 0.00 0.68 0.00 0.00 175.17 177.35 1n4p h ALA 319 N 2.49 1.44 -0.06 2.11 0.00 -1.97 -1.21 119.26 122.06 1n4p h ALA 319 Ca -0.33 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1n4p h ALA 319 Cb 1.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1n4p h ALA 319 CO 0.48 0.27 0.01 1.25 0.00 0.00 0.00 179.25 181.26 1n4p h LEU 320 N 1.02 0.10 -0.90 0.00 6.46 -1.95 -1.54 115.31 118.50 1n4p h LEU 320 Ca 0.47 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.90 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 0.36 -0.21 0.45 -0.62 0.00 0.00 178.44 178.18 1n4p h HIS 321 N -0.16 0.00 -0.13 1.25 3.86 -1.75 -1.49 115.15 116.73 1n4p h HIS 321 Ca 0.02 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1n4p h HIS 321 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1n4p h HIS 321 CO 0.02 0.21 -0.27 0.00 0.86 0.00 0.00 177.93 178.76 1n4p h ALA 322 N 1.79 0.21 -0.21 2.45 0.00 -1.14 0.05 119.26 122.42 1n4p h ALA 322 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1n4p h ALA 322 Cb 0.83 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1n4p h ALA 322 CO 0.03 0.21 0.03 -0.92 0.00 0.00 0.00 179.25 178.59 1n4p h TYR 323 N 0.02 0.37 0.00 0.00 3.20 -1.13 -2.40 116.97 117.03 1n4p h TYR 323 Ca 0.00 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.71 1n4p h TYR 323 Cb 0.86 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1n4p h TYR 323 CO 0.10 0.50 -0.53 0.74 -1.64 0.00 0.00 178.16 177.33 1n4p h PHE 324 N 0.14 0.00 -0.58 -3.82 0.05 -1.32 -0.40 116.94 111.01 1n4p h PHE 324 Ca 0.06 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.75 1n4p h PHE 324 Cb 0.33 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.26 1n4p h PHE 324 CO 0.02 0.53 -0.05 0.78 -0.18 0.00 0.00 178.31 179.41 1n4p h GLY 325 N 2.10 1.13 1.04 -1.45 0.00 -0.92 0.17 103.07 105.15 1n4p h GLY 325 Ca -0.01 -0.86 -0.13 0.00 0.00 0.00 0.00 47.33 46.34 1n4p h GLY 325 CO 0.07 0.79 -0.25 -2.22 0.00 0.00 0.00 176.54 174.93 1n4p h ILE 326 N 0.94 1.28 -0.04 2.60 2.04 -1.16 -1.16 117.51 122.01 1n4p h ILE 326 Ca 0.16 -1.40 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 1n4p h ILE 326 Cb 0.61 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1n4p h ILE 326 CO 0.04 0.47 -0.30 0.00 0.00 0.00 0.00 178.15 178.36 1n4p h GLY 328 N 0.95 0.54 1.00 0.00 0.00 -0.27 -2.39 103.07 102.90 1n4p h GLY 328 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1n4p h GLY 328 CO 0.04 0.37 0.38 1.41 0.00 0.00 0.00 176.54 178.74 1n4p h LEU 329 N 0.28 0.78 -1.44 3.11 4.07 -0.82 -2.61 115.31 118.69 1n4p h LEU 329 Ca 0.08 -0.07 0.12 0.00 0.08 0.00 0.00 57.88 58.09 1n4p h LEU 329 Cb 0.44 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 1n4p h LEU 329 CO 0.02 0.62 0.51 -1.28 -1.08 0.00 0.00 178.44 177.22 1n4p h SER 330 N 0.87 0.55 -0.28 -0.43 0.87 -0.82 -1.84 113.55 112.47 1n4p h SER 330 Ca 0.23 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1n4p h SER 330 Cb -0.01 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1n4p h SER 330 CO -0.04 0.31 0.19 -0.07 -0.53 0.00 0.00 176.83 176.68 1n4p h LEU 331 N 0.60 0.27 -1.24 2.23 4.07 -1.02 -0.35 115.31 119.87 1n4p h LEU 331 Ca 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.32 1n4p h LEU 331 Cb 0.60 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1n4p h LEU 331 CO -0.14 0.19 -0.17 0.23 -1.08 0.00 0.00 178.44 177.47 1n4p n MET 332 N -4.50 1.64 -1.97 1.13 2.81 -0.75 -5.03 117.12 110.47 1n4p n MET 332 Ca 0.02 -1.24 -0.01 0.00 -1.81 0.00 0.00 57.70 54.65 1n4p n MET 332 Cb 0.12 -1.47 -0.01 0.00 -0.71 0.00 0.00 33.22 31.14 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 0.41 -3.24 -4.37 0.03 1.02 -0.14 -5.05 120.64 109.30 1n4p n GLU 333 Ca 0.13 2.55 -0.28 0.00 -0.02 0.00 0.00 57.16 59.55 1n4p n GLU 333 Cb 0.47 -3.34 -0.11 0.00 -0.02 0.00 0.00 31.44 28.44 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 -1.02 1.66 -0.23 3.49 2.56 -1.23 -4.94 118.70 118.98 1n4p s GLU 334 Ca -0.06 -1.37 -0.34 0.00 0.00 0.00 0.00 54.97 53.20 1n4p s GLU 334 Cb 0.00 -1.97 -0.10 0.00 2.00 0.00 0.00 34.13 34.06 1n4p s GLU 334 CO 0.15 0.43 2.07 0.45 -0.56 0.00 0.00 175.26 177.81 1n4p n SER 335 N 0.44 2.82 -0.04 -1.70 2.88 -1.26 -2.14 113.62 114.62 1n4p n SER 335 Ca -0.14 0.59 -0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1n4p n SER 335 Cb 0.55 -1.35 -0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1n4p n SER 335 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n4p n GLY 336 N 5.56 0.37 2.90 0.46 0.00 -1.26 -5.03 105.19 108.19 1n4p n GLY 336 Ca 0.32 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.02 1.15 0.95 -0.61 1.01 -0.91 -4.79 121.20 115.98 1n4p s ILE 337 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 1n4p s ILE 337 Cb 0.00 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.22 1n4p s ILE 337 CO 0.00 0.18 0.40 0.00 0.00 0.00 0.00 174.94 175.52 1n4p s LYS 339 N -3.61 4.76 -0.02 0.00 2.20 -1.26 -4.81 119.74 117.00 1n4p s LYS 339 Ca 0.57 1.49 -0.03 0.00 -0.36 0.00 0.00 55.97 57.64 1n4p s LYS 339 Cb -0.21 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1n4p s LYS 339 CO 0.67 0.34 0.17 0.54 -0.36 0.00 0.00 175.35 176.72 1n4p s VAL 340 N -0.55 5.40 -0.84 4.02 0.11 -1.26 -1.23 120.40 126.05 1n4p s VAL 340 Ca 0.44 -0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 59.17 1n4p s VAL 340 Cb -0.25 -3.51 0.13 0.00 -1.53 0.00 0.00 36.38 31.23 1n4p s VAL 340 CO 0.31 0.36 1.01 -2.28 -3.33 0.00 0.00 175.10 171.17 1n4p s HIS 341 N -1.29 3.13 0.27 1.54 2.46 0.12 -4.77 115.29 116.75 1n4p s HIS 341 Ca 0.26 -1.31 0.12 0.00 0.47 0.00 0.00 55.06 54.60 1n4p s HIS 341 Cb -0.13 -4.19 0.89 0.00 -0.13 0.00 0.00 32.58 29.02 1n4p s HIS 341 CO 0.17 -1.42 1.19 -0.35 -2.47 0.00 0.00 174.74 171.85 1n4p n PRO 342 N 6.35 -0.05 0.05 2.88 -0.04 -1.26 -0.90 135.00 142.03 1n4p n PRO 342 Ca 0.15 1.07 -0.22 0.00 -0.04 0.00 0.00 63.50 64.46 1n4p n PRO 342 Cb 0.48 -1.85 -0.15 0.00 -0.04 0.00 0.00 33.50 31.94 1n4p n PRO 342 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n4p h ALA 343 N 1.51 0.02 0.00 0.55 0.00 -1.92 -3.35 119.26 116.07 1n4p h ALA 343 Ca 0.59 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1n4p h ALA 343 Cb 1.48 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1n4p h ALA 343 CO -0.62 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 180.43 1n4p h LEU 344 N -0.21 0.00 -1.31 0.00 5.85 -1.81 -3.47 115.31 114.37 1n4p h LEU 344 Ca -0.24 -0.03 -0.30 0.00 0.84 0.00 0.00 57.88 58.15 1n4p h LEU 344 Cb 1.83 0.00 0.13 0.00 0.37 0.00 0.00 40.66 42.99 1n4p h LEU 344 CO 0.14 0.01 -0.60 -3.20 -0.34 0.00 0.00 178.44 174.45 1n4p n ASN 345 N -2.50 -3.77 -3.80 1.25 5.15 -0.08 -5.03 115.26 106.48 1n4p n ASN 345 Ca 0.05 -0.48 -0.09 0.00 -0.60 0.00 0.00 54.58 53.45 1n4p n ASN 345 Cb 0.46 -4.30 -0.06 0.00 -0.53 0.00 0.00 39.78 35.35 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 -3.28 0.10 0.54 3.44 -7.23 -1.24 -4.98 120.40 107.73 1n4p s VAL 346 Ca 0.23 -1.01 -0.22 0.00 -1.81 0.00 0.00 61.98 59.18 1n4p s VAL 346 Cb -0.10 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 1n4p s VAL 346 CO 0.61 -0.44 1.31 -1.54 -0.31 0.00 0.00 175.10 174.73 1n4p n SER 347 N -0.16 2.49 -0.06 4.85 3.41 -1.26 -0.70 113.62 122.19 1n4p n SER 347 Ca -0.13 0.98 0.06 0.00 -0.26 0.00 0.00 58.87 59.51 1n4p n SER 347 Cb 0.63 -1.55 0.42 0.00 -0.26 0.00 0.00 64.21 63.45 1n4p n SER 347 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1n4p h THR 348 N 1.41 1.06 -0.76 6.66 1.35 -1.47 0.42 112.91 121.57 1n4p h THR 348 Ca -0.50 -0.20 0.10 0.00 -0.55 0.00 0.00 66.41 65.26 1n4p h THR 348 Cb 1.31 0.42 -0.08 0.00 -1.73 0.00 0.00 68.15 68.07 1n4p h THR 348 CO 0.57 0.11 0.39 -0.09 -0.25 0.00 0.00 175.52 176.25 1n4p h ARG 349 N 0.59 0.63 -0.26 4.72 2.43 -1.89 0.26 114.38 120.85 1n4p h ARG 349 Ca 0.21 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1n4p h ARG 349 Cb 0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1n4p h ARG 349 CO -0.05 0.41 -0.18 1.15 -1.51 0.00 0.00 179.97 179.79 1n4p h THR 350 N 0.64 1.31 0.00 0.20 2.02 -1.31 -2.27 112.91 113.50 1n4p h THR 350 Ca 0.38 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1n4p h THR 350 Cb 0.42 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1n4p h THR 350 CO -0.28 0.41 -0.03 0.77 0.37 0.00 0.00 175.52 176.76 1n4p h SER 351 N 0.31 0.00 0.37 4.18 4.64 -0.25 -0.41 113.55 122.40 1n4p h SER 351 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1n4p h SER 351 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1n4p h SER 351 CO 0.05 0.03 -0.18 -0.33 -0.87 0.00 0.00 176.83 175.53 1n4p h GLU 352 N 0.00 -0.49 -0.71 4.77 4.39 -0.07 0.52 114.58 122.99 1n4p h GLU 352 Ca -0.00 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.81 1n4p h GLU 352 Cb 0.06 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.76 1n4p h GLU 352 CO 0.00 -0.23 0.39 -0.09 -1.16 0.00 0.00 179.01 177.93 1n4p h ARG 353 N -0.68 0.67 -0.17 2.33 2.43 -0.77 0.26 114.38 118.46 1n4p h ARG 353 Ca -0.05 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1n4p h ARG 353 Cb 0.48 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1n4p h ARG 353 CO 0.08 0.45 -0.02 1.25 -1.51 0.00 0.00 179.97 180.21 1n4p h LEU 354 N 0.69 0.23 0.79 3.80 5.85 -0.95 0.57 115.31 126.30 1n4p h LEU 354 Ca 0.33 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1n4p h LEU 354 Cb 0.26 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.24 1n4p h LEU 354 CO -0.22 0.30 -0.38 0.03 -0.34 0.00 0.00 178.44 177.84 1n4p h ARG 355 N 0.25 -1.02 -0.58 1.25 -0.00 0.18 -0.37 114.38 114.08 1n4p h ARG 355 Ca 0.06 0.07 0.02 0.00 -0.50 0.00 0.00 59.98 59.63 1n4p h ARG 355 Cb 0.22 0.23 -0.04 0.00 0.00 0.00 0.00 29.97 30.38 1n4p h ARG 355 CO 0.01 -0.67 0.35 -0.44 0.00 0.00 0.00 179.97 179.22 1n4p h ASP 356 N -1.21 0.58 -0.75 7.04 3.32 -0.72 -1.72 116.42 122.96 1n4p h ASP 356 Ca -0.11 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.08 1n4p h ASP 356 Cb 0.83 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 1n4p h ASP 356 CO 0.18 0.41 0.50 0.25 -1.72 0.00 0.00 179.24 178.85 1n4p h LEU 357 N 0.70 0.43 -0.01 1.55 6.46 0.24 -0.37 115.31 124.31 1n4p h LEU 357 Ca 0.23 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.92 1n4p h LEU 357 Cb 0.01 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 39.88 1n4p h LEU 357 CO -0.09 0.23 -0.33 0.45 -0.62 0.00 0.00 178.44 178.07 1n4p h HIS 358 N 0.46 0.36 -0.91 1.25 3.86 -0.19 -3.07 115.15 116.91 1n4p h HIS 358 Ca 0.36 -0.19 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 1n4p h HIS 358 Cb 0.77 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 29.13 1n4p h HIS 358 CO -0.00 0.98 0.59 1.96 0.86 0.00 0.00 177.93 182.32 1n4p h GLN 359 N -0.36 1.03 -0.10 2.45 7.50 -0.78 -1.69 115.11 123.16 1n4p h GLN 359 Ca -0.04 -0.06 -0.06 0.00 0.50 0.00 0.00 58.65 58.98 1n4p h GLN 359 Cb 1.06 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 28.35 1n4p h GLN 359 CO 0.07 0.68 -0.23 0.66 -1.50 0.00 0.00 178.83 178.51 1n4p h SER 360 N 1.07 0.17 0.56 1.46 4.64 -1.14 -2.18 113.55 118.11 1n4p h SER 360 Ca 0.39 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1n4p h SER 360 Cb 0.15 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1n4p h SER 360 CO -0.14 0.41 0.00 -0.50 -0.87 0.00 0.00 176.83 175.73 1n4p h TRP 361 N 0.16 0.00 -2.39 4.77 6.55 -1.20 -3.33 115.95 120.51 1n4p h TRP 361 Ca 0.03 0.00 -0.77 0.00 0.95 0.00 0.00 58.89 59.10 1n4p h TRP 361 Cb 0.51 0.00 -0.21 0.00 -0.86 0.00 0.00 29.16 28.59 1n4p h TRP 361 CO 0.01 0.00 1.24 1.63 -1.05 0.00 0.00 178.44 180.27 1n4p n LYS 362 N -2.48 3.68 0.00 0.49 4.01 -0.82 -5.13 118.16 117.91 1n4p n LYS 362 Ca 0.01 -4.03 0.00 0.00 -0.51 0.00 0.00 58.31 53.78 1n4p n LYS 362 Cb 0.19 -2.81 0.00 0.00 -0.51 0.00 0.00 35.03 31.90 1n4p n LYS 362 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54