#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5k s LEU 2 N 0.00 3.27 -0.11 -0.89 2.96 -1.26 -1.04 118.68 121.61 1n5k s LEU 2 Ca 0.00 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1n5k s LEU 2 Cb 0.00 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1n5k s LEU 2 CO 0.00 -0.01 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.16 1n5k s ILE 3 N 1.48 2.15 -0.13 6.68 1.01 0.39 -0.42 121.20 132.35 1n5k s ILE 3 Ca 0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1n5k s ILE 3 Cb -0.15 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1n5k s ILE 3 CO 0.01 0.55 -0.03 0.00 0.00 0.00 0.00 174.94 175.48 1n5k s ALA 4 N 0.45 3.06 -0.21 9.38 0.00 -0.40 0.38 121.76 134.42 1n5k s ALA 4 Ca -0.16 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 1n5k s ALA 4 Cb -0.17 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1n5k s ALA 4 CO 0.06 0.34 0.11 0.42 0.00 0.00 0.00 175.76 176.69 1n5k s ILE 5 N -0.05 5.05 0.23 0.00 -1.09 0.15 -0.32 121.20 125.18 1n5k s ILE 5 Ca 0.02 0.07 0.08 0.00 -2.23 0.00 0.00 60.65 58.58 1n5k s ILE 5 Cb -0.13 -3.32 -0.05 0.00 -1.58 0.00 0.00 42.46 37.38 1n5k s ILE 5 CO 0.02 0.40 -0.12 -1.61 -1.23 0.00 0.00 174.94 172.41 1n5k s GLU 6 N 0.78 1.42 0.00 2.79 0.41 0.09 -0.44 118.70 123.75 1n5k s GLU 6 Ca 0.06 -1.66 0.00 0.00 -0.41 0.00 0.00 54.97 52.95 1n5k s GLU 6 Cb -0.13 -1.16 0.00 0.00 -1.78 0.00 0.00 34.13 31.06 1n5k s GLU 6 CO 0.02 0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.34 1n5k n GLY 7 N -0.46 2.36 3.90 -1.39 0.00 -1.26 -1.16 105.19 107.17 1n5k n GLY 7 Ca -0.07 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1n5k n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n5k s VAL 8 N -2.00 1.98 0.27 1.61 -7.23 -1.26 -4.92 120.40 108.85 1n5k s VAL 8 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.87 1n5k s VAL 8 Cb 0.00 -2.97 -0.10 0.00 0.56 0.00 0.00 36.38 33.87 1n5k s VAL 8 CO 0.00 0.00 1.41 -1.81 -0.31 0.00 0.00 175.10 174.39 1n5k s ASP 9 N -4.74 6.66 0.00 4.85 1.01 -1.26 -2.19 116.67 121.00 1n5k s ASP 9 Ca 0.70 2.69 0.00 0.00 0.71 0.00 0.00 52.55 56.65 1n5k s ASP 9 Cb -0.06 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1n5k s ASP 9 CO 0.52 -0.68 0.00 0.61 0.21 0.00 0.00 175.17 175.83 1n5k n GLY 10 N 1.83 0.74 0.20 0.21 0.00 -1.26 -4.94 105.19 101.97 1n5k n GLY 10 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1n5k n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5k h ALA 11 N 0.00 1.02 -0.00 4.61 0.00 -1.78 -3.48 119.26 119.63 1n5k h ALA 11 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1n5k h ALA 11 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1n5k h ALA 11 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1n5k n GLY 12 N -0.08 1.17 0.25 0.00 0.00 -1.26 -4.90 105.19 100.37 1n5k n GLY 12 Ca -0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1n5k n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5k h LYS 13 N 0.00 0.82 -0.65 1.61 1.57 -1.91 -2.75 116.57 115.26 1n5k h LYS 13 Ca 0.00 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1n5k h LYS 13 Cb 0.01 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1n5k h LYS 13 CO 0.00 0.82 0.37 0.00 -0.57 0.00 0.00 179.45 180.07 1n5k h ARG 14 N 0.69 0.67 -0.62 3.15 -0.00 -1.99 -0.12 114.38 116.17 1n5k h ARG 14 Ca 0.15 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.98 59.50 1n5k h ARG 14 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.20 1n5k h ARG 14 CO 0.01 0.45 0.04 1.15 0.00 0.00 0.00 179.97 181.61 1n5k h THR 15 N 0.69 1.26 -0.44 2.04 2.02 -1.97 -1.98 112.91 114.53 1n5k h THR 15 Ca 0.28 -1.11 -0.12 0.00 0.77 0.00 0.00 66.41 66.24 1n5k h THR 15 Cb 0.14 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1n5k h THR 15 CO -0.16 0.41 -0.19 0.25 0.37 0.00 0.00 175.52 176.20 1n5k h LEU 16 N 0.97 0.88 -0.65 2.58 5.85 -1.13 -1.30 115.31 122.50 1n5k h LEU 16 Ca 0.18 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1n5k h LEU 16 Cb 0.52 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1n5k h LEU 16 CO 0.02 1.04 0.43 0.58 -0.34 0.00 0.00 178.44 180.17 1n5k h VAL 17 N 0.76 1.15 0.24 1.05 2.07 -0.86 0.42 116.25 121.08 1n5k h VAL 17 Ca 0.11 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1n5k h VAL 17 Cb 0.72 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1n5k h VAL 17 CO 0.06 0.16 -0.12 -0.33 0.02 0.00 0.00 177.57 177.36 1n5k h GLU 18 N 0.86 -0.31 -0.12 1.57 3.07 -1.01 -0.19 114.58 118.45 1n5k h GLU 18 Ca 0.24 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1n5k h GLU 18 Cb -0.08 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1n5k h GLU 18 CO -0.06 -0.19 0.08 0.87 -1.40 0.00 0.00 179.01 178.31 1n5k h LYS 19 N -0.35 0.16 -0.54 2.33 1.57 -0.97 -0.83 116.57 117.94 1n5k h LYS 19 Ca -0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1n5k h LYS 19 Cb 0.27 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1n5k h LYS 19 CO 0.05 0.10 0.28 1.25 -0.57 0.00 0.00 179.45 180.57 1n5k h LEU 20 N 0.16 0.69 -0.63 2.94 5.85 -0.89 -0.48 115.31 122.96 1n5k h LEU 20 Ca 0.04 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1n5k h LEU 20 Cb -0.02 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1n5k h LEU 20 CO -0.01 0.60 0.36 0.28 -0.34 0.00 0.00 178.44 179.33 1n5k h SER 21 N 0.73 0.56 -0.59 1.25 0.02 -0.80 -0.98 113.55 113.73 1n5k h SER 21 Ca 0.19 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1n5k h SER 21 Cb 0.08 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1n5k h SER 21 CO -0.03 0.38 0.26 1.23 -1.14 0.00 0.00 176.83 177.52 1n5k h GLY 22 N 0.69 0.98 0.83 -3.77 0.00 -0.62 -1.65 103.07 99.54 1n5k h GLY 22 Ca 0.27 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1n5k h GLY 22 CO -0.14 0.47 -0.03 0.00 0.00 0.00 0.00 176.54 176.84 1n5k h ALA 23 N 1.38 0.31 -0.80 3.60 0.00 -0.09 -1.60 119.26 122.05 1n5k h ALA 23 Ca 0.21 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1n5k h ALA 23 Cb 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1n5k h ALA 23 CO -0.02 0.07 0.36 0.74 0.00 0.00 0.00 179.25 180.39 1n5k h PHE 24 N 0.17 1.18 -0.37 0.00 0.05 -1.06 -2.01 116.94 114.91 1n5k h PHE 24 Ca 0.06 -0.07 -0.01 0.00 3.82 0.00 0.00 57.97 61.77 1n5k h PHE 24 Cb 0.46 -0.36 -0.02 0.00 2.00 0.00 0.00 35.95 38.03 1n5k h PHE 24 CO 0.04 0.87 0.19 0.00 -0.18 0.00 0.00 178.31 179.23 1n5k h ARG 25 N 1.16 0.52 0.00 1.51 3.08 -1.19 -1.35 114.38 118.11 1n5k h ARG 25 Ca 0.27 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1n5k h ARG 25 Cb 0.16 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1n5k h ARG 25 CO -0.03 0.45 -0.06 0.00 -1.07 0.00 0.00 179.97 179.27 1n5k h ALA 26 N 1.04 1.32 -0.18 0.04 0.00 -1.03 -0.65 119.26 119.80 1n5k h ALA 26 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n5k h ALA 26 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1n5k h ALA 26 CO -0.02 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1n5k n ALA 27 N -2.26 2.51 -1.47 0.00 0.00 -0.59 -4.91 120.51 113.79 1n5k n ALA 27 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1n5k n ALA 27 Cb 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1n5k n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n5k n GLY 28 N 1.04 0.81 3.26 0.00 0.00 -0.25 -5.06 105.19 104.99 1n5k n GLY 28 Ca 0.14 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 1n5k n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5k s ARG 29 N -3.21 1.27 0.26 1.61 0.52 -0.74 -5.02 118.95 113.64 1n5k s ARG 29 Ca 0.00 -1.02 -0.21 0.00 -0.52 0.00 0.00 55.73 53.98 1n5k s ARG 29 Cb 0.00 -1.44 -0.09 0.00 0.52 0.00 0.00 34.95 33.94 1n5k s ARG 29 CO 0.00 0.36 0.78 -1.54 0.02 0.00 0.00 175.30 174.91 1n5k s SER 30 N -1.45 7.09 -0.02 0.23 1.04 -1.26 -3.75 113.70 115.59 1n5k s SER 30 Ca 0.07 1.50 0.01 0.00 0.48 0.00 0.00 55.95 58.01 1n5k s SER 30 Cb -0.09 -2.45 0.01 0.00 0.10 0.00 0.00 66.02 63.58 1n5k s SER 30 CO 0.03 -0.02 -0.03 -0.69 0.98 0.00 0.00 173.24 173.52 1n5k s VAL 31 N -1.59 0.29 0.09 5.02 1.01 -1.26 -1.74 120.40 122.22 1n5k s VAL 31 Ca 0.46 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1n5k s VAL 31 Cb -0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1n5k s VAL 31 CO 0.21 0.12 -0.22 0.00 0.00 0.00 0.00 175.10 175.21 1n5k s ALA 32 N 0.40 1.90 0.11 5.51 0.00 -0.28 -5.01 121.76 124.39 1n5k s ALA 32 Ca -0.04 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.74 1n5k s ALA 32 Cb -0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1n5k s ALA 32 CO -0.01 0.41 -0.13 0.95 0.00 0.00 0.00 175.76 176.98 1n5k s THR 33 N -1.04 1.16 -0.10 0.00 -4.23 -1.26 -0.72 115.64 109.46 1n5k s THR 33 Ca 0.08 -1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 58.84 1n5k s THR 33 Cb -0.10 -1.40 0.03 0.00 1.34 0.00 0.00 72.50 72.37 1n5k s THR 33 CO 0.04 -0.44 0.31 -0.22 -0.54 0.00 0.00 174.62 173.77 1n5k s LEU 34 N -2.35 0.80 0.03 4.79 2.96 -0.80 -4.96 118.68 119.15 1n5k s LEU 34 Ca 0.06 0.55 0.08 0.00 -0.22 0.00 0.00 54.13 54.60 1n5k s LEU 34 Cb -0.05 1.11 -0.03 0.00 0.50 0.00 0.00 46.19 47.72 1n5k s LEU 34 CO 0.02 -0.16 -0.22 0.00 -1.32 0.00 0.00 176.35 174.66 1n5k s ALA 35 N -0.06 2.41 0.02 5.97 0.00 -1.26 -0.57 121.76 128.27 1n5k s ALA 35 Ca -0.02 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 50.81 1n5k s ALA 35 Cb -0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1n5k s ALA 35 CO 0.01 0.55 -0.22 -0.06 0.00 0.00 0.00 175.76 176.04 1n5k s PHE 36 N -0.83 1.94 0.65 0.00 0.08 -0.64 -3.91 117.98 115.27 1n5k s PHE 36 Ca 0.13 -0.38 -0.16 0.00 0.12 0.00 0.00 56.93 56.64 1n5k s PHE 36 Cb -0.10 -1.19 -0.00 0.00 -0.57 0.00 0.00 43.02 41.16 1n5k s PHE 36 CO 0.03 0.06 1.13 -2.14 -0.10 0.00 0.00 175.22 174.20 1n5k s PRO 37 N -0.96 2.76 -1.31 0.24 0.02 -1.26 -4.67 135.00 129.82 1n5k s PRO 37 Ca 0.08 1.51 -0.09 0.00 0.02 0.00 0.00 61.00 62.52 1n5k s PRO 37 Cb -0.09 -1.94 0.14 0.00 0.02 0.00 0.00 34.50 32.64 1n5k s PRO 37 CO 0.01 -1.30 2.05 0.54 -0.33 0.00 0.00 177.00 177.97 1n5k n ARG 38 N -2.28 3.79 -1.64 5.54 1.74 -1.25 -4.99 116.66 117.56 1n5k n ARG 38 Ca 0.11 -3.40 -0.45 0.00 -0.77 0.00 0.00 57.85 53.34 1n5k n ARG 38 Cb 0.51 -2.88 -0.02 0.00 -1.02 0.00 0.00 32.46 29.05 1n5k n ARG 38 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1n5k n TYR 39 N 3.53 1.82 -0.95 -1.55 0.53 -1.26 -1.53 117.16 117.74 1n5k n TYR 39 Ca 0.47 0.57 0.00 0.00 -1.02 0.00 0.00 57.90 57.92 1n5k n TYR 39 Cb 0.33 -2.37 0.00 0.00 -1.03 0.00 0.00 39.34 36.28 1n5k n TYR 39 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1n5k n GLY 40 N 1.57 0.46 0.00 2.72 0.00 -1.26 -4.79 105.19 103.90 1n5k n GLY 40 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1n5k n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n5k n GLN 41 N -1.84 2.13 -3.79 1.61 6.02 -0.58 -5.04 117.38 115.87 1n5k n GLN 41 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1n5k n GLN 41 Cb 0.10 -0.80 -0.12 0.00 1.02 0.00 0.00 30.24 30.44 1n5k n GLN 41 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1n5k s SER 42 N -1.48 -0.22 0.23 1.08 1.04 -1.19 -5.04 113.70 108.11 1n5k s SER 42 Ca 0.00 0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.79 1n5k s SER 42 Cb 0.00 0.43 0.22 0.00 0.10 0.00 0.00 66.02 66.77 1n5k s SER 42 CO 0.00 -0.08 1.91 -0.37 0.98 0.00 0.00 173.24 175.68 1n5k h VAL 43 N 4.90 1.24 -0.33 5.02 -1.51 -1.96 -2.36 116.25 121.24 1n5k h VAL 43 Ca -0.27 -0.43 0.06 0.00 -1.23 0.00 0.00 66.70 64.83 1n5k h VAL 43 Cb 1.19 -0.10 -0.05 0.00 -2.13 0.00 0.00 31.29 30.20 1n5k h VAL 43 CO 0.37 0.23 0.02 0.00 -1.23 0.00 0.00 177.57 176.96 1n5k h ALA 44 N 1.33 0.31 -0.42 5.19 0.00 -1.94 0.14 119.26 123.87 1n5k h ALA 44 Ca 0.33 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1n5k h ALA 44 Cb -0.14 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1n5k h ALA 44 CO -0.07 -0.39 0.24 0.00 0.00 0.00 0.00 179.25 179.03 1n5k h ALA 45 N 1.28 0.54 -0.65 0.00 0.00 -1.73 -1.15 119.26 117.56 1n5k h ALA 45 Ca 0.16 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1n5k h ALA 45 Cb 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1n5k h ALA 45 CO -0.25 0.06 0.11 -0.44 0.00 0.00 0.00 179.25 178.73 1n5k h ASP 46 N 0.55 1.00 -0.35 0.00 3.45 -0.93 -0.38 116.42 119.76 1n5k h ASP 46 Ca 0.15 -0.23 -0.12 0.00 0.43 0.00 0.00 57.03 57.26 1n5k h ASP 46 Cb 0.04 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 1n5k h ASP 46 CO -0.02 0.99 -0.22 0.40 -1.57 0.00 0.00 179.24 178.82 1n5k h ILE 47 N 0.99 1.27 -0.55 0.35 2.04 -0.55 -1.22 117.51 119.84 1n5k h ILE 47 Ca 0.20 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 1n5k h ILE 47 Cb 0.41 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1n5k h ILE 47 CO 0.01 0.46 0.17 0.00 0.00 0.00 0.00 178.15 178.79 1n5k h ALA 48 N 1.02 0.72 -0.49 1.87 0.00 -0.91 0.75 119.26 122.21 1n5k h ALA 48 Ca 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1n5k h ALA 48 Cb 0.75 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1n5k h ALA 48 CO 0.06 0.38 0.27 0.00 0.00 0.00 0.00 179.25 179.96 1n5k h ALA 49 N 1.04 0.63 -0.66 0.00 0.00 -0.84 -1.82 119.26 117.60 1n5k h ALA 49 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1n5k h ALA 49 Cb 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1n5k h ALA 49 CO -0.01 0.16 0.10 0.93 0.00 0.00 0.00 179.25 180.43 1n5k h GLU 50 N 0.65 1.10 -0.46 0.00 5.08 -0.96 -2.79 114.58 117.20 1n5k h GLU 50 Ca 0.17 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1n5k h GLU 50 Cb 0.06 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1n5k h GLU 50 CO -0.03 1.01 0.13 0.00 -1.00 0.00 0.00 179.01 179.12 1n5k h ALA 51 N 1.07 1.37 0.00 3.43 0.00 -0.52 -0.64 119.26 123.97 1n5k h ALA 51 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n5k h ALA 51 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1n5k h ALA 51 CO 0.01 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.00 1n5k n LEU 52 N -4.32 0.64 -1.19 0.00 4.77 -0.71 -1.93 117.00 114.26 1n5k n LEU 52 Ca 0.03 0.68 0.09 0.00 -0.03 0.00 0.00 56.01 56.78 1n5k n LEU 52 Cb 0.19 -0.61 0.28 0.00 -2.33 0.00 0.00 43.42 40.95 1n5k n LEU 52 CO 0.39 -0.61 0.74 1.41 -1.33 0.00 0.00 177.39 177.98 1n5k n HIS 53 N -2.23 0.97 -0.01 -1.77 8.25 -0.32 0.40 115.22 120.51 1n5k n HIS 53 Ca 0.02 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 1n5k n HIS 53 Cb 0.20 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1n5k n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n5k n GLY 54 N 1.06 0.37 3.91 -1.41 0.00 -0.81 -5.00 105.19 103.31 1n5k n GLY 54 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1n5k n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n5k s GLU 55 N -0.99 2.67 -0.93 1.61 2.02 -0.74 -4.51 118.70 117.83 1n5k s GLU 55 Ca 0.00 0.10 -0.00 0.00 0.02 0.00 0.00 54.97 55.09 1n5k s GLU 55 Cb 0.00 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 32.08 1n5k s GLU 55 CO 0.00 -0.99 0.77 0.72 0.02 0.00 0.00 175.26 175.78 1n5k n HIS 56 N -2.85 -1.70 0.00 1.61 8.25 -1.26 -4.12 115.22 115.15 1n5k n HIS 56 Ca 0.06 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 1n5k n HIS 56 Cb 0.58 -4.38 0.00 0.00 1.12 0.00 0.00 29.99 27.31 1n5k n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n5k n GLY 57 N -1.11 2.52 0.59 -1.41 0.00 -1.26 -1.89 105.19 102.63 1n5k n GLY 57 Ca -0.22 0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1n5k n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n5k n ASP 58 N 2.76 1.73 -0.10 1.61 5.75 -1.26 -4.50 116.55 122.54 1n5k n ASP 58 Ca 0.00 -1.95 -0.06 0.00 -0.01 0.00 0.00 54.79 52.77 1n5k n ASP 58 Cb 0.00 -0.20 0.01 0.00 -1.03 0.00 0.00 41.12 39.89 1n5k n ASP 58 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1n5k h LEU 59 N 1.94 -0.25 -1.20 -2.12 6.46 -1.68 -2.00 115.31 116.47 1n5k h LEU 59 Ca 0.00 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1n5k h LEU 59 Cb 0.44 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1n5k h LEU 59 CO 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 178.44 177.74 1n5k h ALA 60 N 1.33 1.00 0.00 1.25 0.00 -1.81 -2.56 119.26 118.47 1n5k h ALA 60 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n5k h ALA 60 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1n5k h ALA 60 CO -0.32 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.80 1n5k n SER 61 N -2.60 0.39 -4.59 0.00 3.41 -0.75 -4.58 113.62 104.90 1n5k n SER 61 Ca 0.01 0.58 -0.39 0.00 -0.26 0.00 0.00 58.87 58.82 1n5k n SER 61 Cb 0.23 -0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 63.40 1n5k n SER 61 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n5k s SER 62 N -3.73 6.11 0.07 4.04 0.15 -0.96 -4.98 113.70 114.40 1n5k s SER 62 Ca 0.07 0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.57 1n5k s SER 62 Cb 0.10 -2.15 -0.12 0.00 -1.71 0.00 0.00 66.02 62.14 1n5k s SER 62 CO 0.38 -0.12 1.58 0.58 1.20 0.00 0.00 173.24 176.86 1n5k h VAL 63 N 5.39 1.18 0.00 4.45 2.07 -1.87 -2.59 116.25 124.87 1n5k h VAL 63 Ca -0.33 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 1n5k h VAL 63 Cb 1.18 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1n5k h VAL 63 CO 0.59 0.17 -0.36 1.88 0.02 0.00 0.00 177.57 179.87 1n5k h TYR 64 N 0.04 0.00 -0.05 1.57 -1.99 -1.96 -2.17 116.97 112.41 1n5k h TYR 64 Ca 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1n5k h TYR 64 Cb 0.22 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.95 1n5k h TYR 64 CO -0.00 0.36 -0.00 0.00 -0.00 0.00 0.00 178.16 178.51 1n5k h ALA 65 N 1.64 0.07 -0.36 3.88 0.00 -1.85 -0.19 119.26 122.45 1n5k h ALA 65 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1n5k h ALA 65 Cb 0.75 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1n5k h ALA 65 CO 0.05 -0.24 0.21 0.52 0.00 0.00 0.00 179.25 179.78 1n5k h MET 66 N -0.22 0.50 -0.71 0.00 2.86 -1.37 -1.49 114.93 114.50 1n5k h MET 66 Ca 0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1n5k h MET 66 Cb 0.36 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1n5k h MET 66 CO 0.00 0.39 0.41 0.00 1.06 0.00 0.00 176.91 178.77 1n5k h ALA 67 N 1.08 1.40 -0.57 6.32 0.00 -1.35 -1.79 119.26 124.36 1n5k h ALA 67 Ca 0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1n5k h ALA 67 Cb 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1n5k h ALA 67 CO -0.02 0.51 0.01 1.15 0.00 0.00 0.00 179.25 180.90 1n5k h THR 68 N 0.97 1.26 -0.29 0.00 2.02 -0.55 -0.98 112.91 115.35 1n5k h THR 68 Ca 0.25 -1.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1n5k h THR 68 Cb -0.02 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1n5k h THR 68 CO -0.05 0.40 0.10 -0.07 0.37 0.00 0.00 175.52 176.27 1n5k h LEU 69 N 0.90 0.41 -1.10 2.58 3.38 -0.48 0.75 115.31 121.76 1n5k h LEU 69 Ca 0.17 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1n5k h LEU 69 Cb 0.51 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1n5k h LEU 69 CO 0.02 0.49 -0.10 -0.26 0.09 0.00 0.00 178.44 178.68 1n5k h PHE 70 N 0.32 0.55 -0.47 1.13 -1.00 -1.27 -1.32 116.94 114.89 1n5k h PHE 70 Ca 0.10 -0.08 -0.13 0.00 2.81 0.00 0.00 57.97 60.67 1n5k h PHE 70 Cb 0.21 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1n5k h PHE 70 CO -0.00 0.61 -0.21 0.00 -1.61 0.00 0.00 178.31 177.10 1n5k h ALA 71 N 1.42 0.75 -0.03 2.45 0.00 -0.77 -2.14 119.26 120.94 1n5k h ALA 71 Ca 0.09 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1n5k h ALA 71 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1n5k h ALA 71 CO 0.03 0.66 -0.44 -0.07 0.00 0.00 0.00 179.25 179.43 1n5k h LEU 72 N 0.82 0.06 -0.17 0.00 3.38 -0.49 -0.08 115.31 118.83 1n5k h LEU 72 Ca 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1n5k h LEU 72 Cb 0.77 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1n5k h LEU 72 CO 0.06 0.50 0.05 -0.78 0.09 0.00 0.00 178.44 178.36 1n5k h ASP 73 N 0.05 0.25 -0.25 -0.43 3.58 -0.93 -2.61 116.42 116.08 1n5k h ASP 73 Ca 0.00 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 1n5k h ASP 73 Cb 0.80 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1n5k h ASP 73 CO 0.06 0.41 0.02 0.03 -2.88 0.00 0.00 179.24 176.88 1n5k h ARG 74 N 0.09 0.54 -0.93 0.28 3.08 -1.03 -2.48 114.38 113.93 1n5k h ARG 74 Ca 0.05 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1n5k h ARG 74 Cb 0.25 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1n5k h ARG 74 CO -0.00 0.54 0.61 0.00 -1.07 0.00 0.00 179.97 180.05 1n5k h ALA 75 N 1.51 1.42 0.00 0.04 0.00 -0.72 0.64 119.26 122.15 1n5k h ALA 75 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1n5k h ALA 75 Cb 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1n5k h ALA 75 CO 0.01 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1n5k n GLY 76 N -1.39 -1.01 0.59 0.00 0.00 -0.94 -2.68 105.19 99.76 1n5k n GLY 76 Ca 0.13 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1n5k n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5k n ALA 77 N -1.32 2.95 -0.13 4.61 0.00 0.19 -4.57 120.51 122.24 1n5k n ALA 77 Ca 0.09 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 52.87 1n5k n ALA 77 Cb 0.18 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.00 1n5k n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n5k h VAL 78 N 2.90 0.72 -0.97 0.00 2.07 -1.28 0.98 116.25 120.68 1n5k h VAL 78 Ca 0.00 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1n5k h VAL 78 Cb 0.73 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1n5k h VAL 78 CO 0.00 0.03 0.64 -0.74 0.02 0.00 0.00 177.57 177.52 1n5k h HIS 79 N 0.15 1.20 -0.06 1.57 -0.00 -1.83 0.73 115.15 116.91 1n5k h HIS 79 Ca 0.21 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 1n5k h HIS 79 Cb 0.29 -0.40 -0.00 0.00 -0.00 0.00 0.00 27.41 27.29 1n5k h HIS 79 CO -0.25 0.72 0.01 1.15 -0.00 0.00 0.00 177.93 179.56 1n5k h THR 80 N 1.26 1.22 -0.49 6.26 2.02 -1.57 -1.13 112.91 120.48 1n5k h THR 80 Ca 0.37 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1n5k h THR 80 Cb -0.05 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1n5k h THR 80 CO -0.10 0.19 0.29 0.40 0.37 0.00 0.00 175.52 176.66 1n5k h ILE 81 N -0.15 1.04 -0.67 3.11 2.04 -0.33 -0.45 117.51 122.10 1n5k h ILE 81 Ca 0.02 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1n5k h ILE 81 Cb 0.29 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1n5k h ILE 81 CO 0.00 0.10 0.31 1.56 0.00 0.00 0.00 178.15 180.13 1n5k h GLN 82 N 0.57 0.96 -0.25 2.37 4.20 -0.81 -0.33 115.11 121.82 1n5k h GLN 82 Ca 0.20 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1n5k h GLN 82 Cb 0.03 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1n5k h GLN 82 CO -0.09 0.75 0.10 0.78 -0.67 0.00 0.00 178.83 179.70 1n5k h GLY 83 N 1.03 0.41 1.25 3.46 0.00 -0.28 -2.10 103.07 106.84 1n5k h GLY 83 Ca 0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 1n5k h GLY 83 CO -0.03 0.21 0.15 1.41 0.00 0.00 0.00 176.54 178.28 1n5k h LEU 84 N 0.25 0.88 -1.54 3.11 3.38 -0.75 -1.71 115.31 118.93 1n5k h LEU 84 Ca 0.08 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1n5k h LEU 84 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1n5k h LEU 84 CO -0.01 0.86 -0.24 0.00 0.09 0.00 0.00 178.44 179.14 1n5k h ARG 86 N 0.00 0.00 0.00 0.00 3.08 -0.93 -3.38 114.38 113.16 1n5k h ARG 86 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n5k h ARG 86 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1n5k h ARG 86 CO 0.03 0.72 -1.52 0.41 -1.07 0.00 0.00 179.97 178.54 1n5k n GLY 87 N 1.37 -1.09 3.23 0.04 0.00 -0.69 -4.98 105.19 103.08 1n5k n GLY 87 Ca -0.04 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1n5k n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n5k s TYR 88 N -3.34 1.61 0.27 1.61 1.51 0.22 -5.04 117.35 114.20 1n5k s TYR 88 Ca -0.02 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 1n5k s TYR 88 Cb 0.14 -0.92 0.39 0.00 -0.11 0.00 0.00 41.96 41.46 1n5k s TYR 88 CO 0.87 0.12 1.69 -0.44 -1.11 0.00 0.00 175.55 176.68 1n5k h ASP 89 N 4.47 0.42 -3.46 2.29 3.32 -1.83 -3.43 116.42 118.20 1n5k h ASP 89 Ca -0.43 -0.16 -0.41 0.00 0.02 0.00 0.00 57.03 56.05 1n5k h ASP 89 Cb 1.18 -0.11 -0.34 0.00 0.22 0.00 0.00 39.33 40.27 1n5k h ASP 89 CO 0.42 0.73 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.21 1n5k s VAL 90 N -4.31 0.53 -0.21 -1.35 1.01 -0.71 -1.12 120.40 114.23 1n5k s VAL 90 Ca -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1n5k s VAL 90 Cb 0.13 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.99 1n5k s VAL 90 CO 0.79 0.22 -0.15 -0.69 0.00 0.00 0.00 175.10 175.27 1n5k s VAL 91 N 0.91 2.26 -0.21 2.92 1.01 -0.20 -1.12 120.40 125.96 1n5k s VAL 91 Ca -0.11 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 60.73 1n5k s VAL 91 Cb -0.14 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1n5k s VAL 91 CO 0.00 0.37 0.02 -0.63 0.00 0.00 0.00 175.10 174.85 1n5k s ILE 92 N 1.26 4.04 -0.17 2.22 1.01 0.10 -0.46 121.20 129.20 1n5k s ILE 92 Ca 0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 1n5k s ILE 92 Cb -0.15 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1n5k s ILE 92 CO -0.10 0.41 0.05 -0.76 0.00 0.00 0.00 174.94 174.54 1n5k s LEU 93 N 1.15 3.78 -0.76 2.97 1.43 0.16 -1.91 118.68 125.49 1n5k s LEU 93 Ca 0.03 0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 53.02 1n5k s LEU 93 Cb -0.14 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.24 1n5k s LEU 93 CO 0.02 0.20 0.96 -0.62 0.23 0.00 0.00 176.35 177.13 1n5k s ASP 94 N 0.23 6.39 0.00 2.29 3.68 0.27 0.33 116.67 129.86 1n5k s ASP 94 Ca 0.03 -1.62 0.00 0.00 2.13 0.00 0.00 52.55 53.09 1n5k s ASP 94 Cb -0.12 -2.37 0.00 0.00 -1.45 0.00 0.00 42.92 38.98 1n5k s ASP 94 CO 0.01 -1.16 0.00 0.54 0.13 0.00 0.00 175.17 174.68 1n5k n ARG 95 N 6.69 0.00 0.00 4.34 1.74 0.42 -1.62 116.66 128.23 1n5k n ARG 95 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1n5k n ARG 95 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1n5k n ARG 95 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1n5k n TYR 96 N -0.52 0.00 -0.21 -1.55 9.36 -1.26 -4.26 117.16 118.72 1n5k n TYR 96 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 1n5k n TYR 96 Cb 0.00 0.00 0.41 0.00 -0.63 0.00 0.00 39.34 39.12 1n5k n TYR 96 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1n5k h VAL 97 N 0.00 0.87 0.00 2.97 2.07 -2.00 -1.94 116.25 118.22 1n5k h VAL 97 Ca 0.00 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1n5k h VAL 97 Cb 0.00 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1n5k h VAL 97 CO 0.00 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 177.68 1n5k h ALA 98 N 1.62 1.91 -0.67 1.67 0.00 -1.97 -1.74 119.26 120.08 1n5k h ALA 98 Ca 0.39 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.34 1n5k h ALA 98 Cb 0.65 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1n5k h ALA 98 CO -0.15 0.03 0.37 0.77 0.00 0.00 0.00 179.25 180.27 1n5k h SER 99 N 0.00 0.55 -0.32 0.00 0.02 -1.75 0.46 113.55 112.51 1n5k h SER 99 Ca -0.00 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 1n5k h SER 99 Cb 0.04 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1n5k h SER 99 CO 0.00 0.35 -0.09 -1.13 -1.14 0.00 0.00 176.83 174.82 1n5k h ASN 100 N 0.69 0.73 -0.23 3.07 -1.24 -1.45 -1.76 115.58 115.39 1n5k h ASN 100 Ca 0.30 -0.21 -0.10 0.00 0.71 0.00 0.00 56.30 57.01 1n5k h ASN 100 Cb 0.20 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1n5k h ASN 100 CO -0.19 0.85 -0.26 0.00 -1.29 0.00 0.00 177.43 176.55 1n5k h ALA 101 N 1.22 0.34 -0.07 1.57 0.00 -1.20 -2.21 119.26 118.91 1n5k h ALA 101 Ca 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1n5k h ALA 101 Cb 0.55 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1n5k h ALA 101 CO 0.03 0.32 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 1n5k h ALA 102 N 0.66 0.10 -0.20 0.00 0.00 -0.83 -2.14 119.26 116.85 1n5k h ALA 102 Ca 0.03 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1n5k h ALA 102 Cb 0.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1n5k h ALA 102 CO 0.06 -0.21 -0.51 1.88 0.00 0.00 0.00 179.25 180.48 1n5k h TYR 103 N -0.18 0.69 -0.15 0.00 -1.99 -1.42 -1.87 116.97 112.05 1n5k h TYR 103 Ca 0.02 -0.23 -0.04 0.00 2.00 0.00 0.00 58.73 60.48 1n5k h TYR 103 Cb 0.37 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.96 1n5k h TYR 103 CO 0.04 0.95 -0.04 0.77 -0.00 0.00 0.00 178.16 179.88 1n5k h SER 104 N 0.44 0.31 -0.61 3.88 0.02 -1.44 -1.42 113.55 114.73 1n5k h SER 104 Ca 0.02 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1n5k h SER 104 Cb 1.04 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 1n5k h SER 104 CO 0.10 0.61 0.30 0.00 -1.14 0.00 0.00 176.83 176.70 1n5k h ALA 105 N 0.70 0.78 -0.58 3.77 0.00 -1.42 -2.49 119.26 120.02 1n5k h ALA 105 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1n5k h ALA 105 Cb 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1n5k h ALA 105 CO 0.02 0.33 0.38 0.00 0.00 0.00 0.00 179.25 179.98 1n5k h ALA 106 N 1.13 0.74 0.00 0.00 0.00 -1.27 0.15 119.26 120.01 1n5k h ALA 106 Ca 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1n5k h ALA 106 Cb 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1n5k h ALA 106 CO -0.03 0.19 -0.14 0.00 0.00 0.00 0.00 179.25 179.28 1n5k h ARG 107 N 0.79 0.00 -0.35 0.00 3.08 -1.06 -1.97 114.38 114.87 1n5k h ARG 107 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1n5k h ARG 107 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1n5k h ARG 107 CO -0.04 0.14 0.00 1.28 -1.07 0.00 0.00 179.97 180.27 1n5k n LEU 108 N -4.11 3.04 -3.04 3.04 4.77 -0.72 -4.94 117.00 115.04 1n5k n LEU 108 Ca -0.02 -1.32 -0.22 0.00 -0.03 0.00 0.00 56.01 54.42 1n5k n LEU 108 Cb 0.22 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1n5k n LEU 108 CO 0.34 0.66 -0.02 1.41 -1.33 0.00 0.00 177.39 178.45 1n5k n HIS 109 N 1.21 -1.91 -3.32 -1.77 8.25 -0.41 -4.99 115.22 112.28 1n5k n HIS 109 Ca 0.19 0.49 -0.21 0.00 -0.26 0.00 0.00 57.72 57.93 1n5k n HIS 109 Cb 0.54 -4.23 0.02 0.00 1.12 0.00 0.00 29.99 27.44 1n5k n HIS 109 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1n5k s GLU 110 N -5.72 2.45 0.48 -0.41 2.02 0.41 -5.02 118.70 112.91 1n5k s GLU 110 Ca 0.30 -1.62 0.05 0.00 0.02 0.00 0.00 54.97 53.72 1n5k s GLU 110 Cb -0.14 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 1n5k s GLU 110 CO 0.38 -0.55 0.14 0.54 0.02 0.00 0.00 175.26 175.79 1n5k s ASN 111 N -4.41 4.28 0.55 -0.19 2.20 -1.26 -4.38 114.94 111.74 1n5k s ASN 111 Ca 0.52 -1.37 0.31 0.00 -0.94 0.00 0.00 52.86 51.37 1n5k s ASN 111 Cb -0.05 0.11 1.47 0.00 -2.00 0.00 0.00 41.25 40.77 1n5k s ASN 111 CO 0.32 -0.77 1.88 0.00 -2.94 0.00 0.00 177.10 175.59 1n5k h ALA 112 N 1.29 2.67 -0.33 3.54 0.00 -1.93 0.59 119.26 125.10 1n5k h ALA 112 Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1n5k h ALA 112 Cb 1.29 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1n5k h ALA 112 CO 0.70 -1.00 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1n5k n ALA 113 N -2.61 2.46 -1.29 0.00 0.00 -1.26 -4.75 120.51 113.06 1n5k n ALA 113 Ca 0.16 -0.72 -0.15 0.00 0.00 0.00 0.00 53.44 52.74 1n5k n ALA 113 Cb 0.89 -1.00 0.17 0.00 0.00 0.00 0.00 19.45 19.51 1n5k n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n5k n GLY 114 N 1.22 -2.18 0.05 0.00 0.00 0.21 -4.91 105.19 99.59 1n5k n GLY 114 Ca 0.16 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 1n5k n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5k h LYS 115 N 0.00 0.01 -0.87 1.61 1.79 -1.93 -2.92 116.57 114.25 1n5k h LYS 115 Ca -0.30 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.19 1n5k h LYS 115 Cb 0.88 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.48 1n5k h LYS 115 CO 0.20 0.34 0.57 0.00 -1.08 0.00 0.00 179.45 179.49 1n5k h ALA 116 N 0.66 1.14 -0.36 3.86 0.00 -1.95 0.40 119.26 123.01 1n5k h ALA 116 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1n5k h ALA 116 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1n5k h ALA 116 CO 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 179.25 179.60 1n5k h ALA 117 N 1.35 1.17 -0.21 0.00 0.00 -1.81 -0.96 119.26 118.80 1n5k h ALA 117 Ca 0.34 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1n5k h ALA 117 Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1n5k h ALA 117 CO -0.10 0.53 -0.52 0.00 0.00 0.00 0.00 179.25 179.16 1n5k h ALA 118 N 1.34 0.35 -0.36 0.00 0.00 -1.21 -3.02 119.26 116.36 1n5k h ALA 118 Ca 0.11 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1n5k h ALA 118 Cb 0.50 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1n5k h ALA 118 CO 0.03 0.54 0.20 2.35 0.00 0.00 0.00 179.25 182.36 1n5k h TRP 119 N 0.44 0.37 -0.75 0.00 7.01 -0.69 -1.56 115.95 120.77 1n5k h TRP 119 Ca -0.00 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.11 1n5k h TRP 119 Cb 1.13 -0.11 -0.08 0.00 -2.10 0.00 0.00 29.16 28.00 1n5k h TRP 119 CO 0.09 0.21 0.38 0.28 -2.79 0.00 0.00 178.44 176.60 1n5k h VAL 120 N 0.40 0.82 -0.38 2.65 2.07 -1.17 -0.91 116.25 119.74 1n5k h VAL 120 Ca 0.15 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1n5k h VAL 120 Cb 0.03 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1n5k h VAL 120 CO -0.09 0.11 0.09 -0.61 0.02 0.00 0.00 177.57 177.10 1n5k h GLN 121 N 0.62 0.62 -0.62 1.57 4.15 -1.27 -1.47 115.11 118.71 1n5k h GLN 121 Ca 0.38 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.61 1n5k h GLN 121 Cb 0.43 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1n5k h GLN 121 CO -0.29 0.65 0.21 0.00 -1.93 0.00 0.00 178.83 177.47 1n5k h ARG 122 N 0.48 0.93 0.02 1.69 3.08 -0.61 -3.02 114.38 116.94 1n5k h ARG 122 Ca 0.12 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1n5k h ARG 122 Cb 0.31 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1n5k h ARG 122 CO 0.00 0.79 -0.01 0.82 -1.07 0.00 0.00 179.97 180.50 1n5k h ILE 123 N 0.90 0.99 -0.07 2.04 1.08 -1.08 -3.15 117.51 118.23 1n5k h ILE 123 Ca 0.21 -1.68 -0.03 0.00 -0.39 0.00 0.00 64.86 62.96 1n5k h ILE 123 Cb 0.23 1.84 -0.00 0.00 -3.07 0.00 0.00 36.82 35.83 1n5k h ILE 123 CO -0.01 0.33 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.36 1n5k h GLU 124 N -0.98 0.18 -0.03 2.37 5.08 -1.38 -0.44 114.58 119.38 1n5k h GLU 124 Ca -0.00 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 1n5k h GLU 124 Cb 0.56 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1n5k h GLU 124 CO 0.00 0.64 -0.37 0.74 -1.00 0.00 0.00 179.01 179.03 1n5k h PHE 125 N -0.26 0.43 0.00 4.33 0.05 -1.72 -1.79 116.94 117.98 1n5k h PHE 125 Ca 0.01 -0.21 -0.03 0.00 3.82 0.00 0.00 57.97 61.55 1n5k h PHE 125 Cb 0.61 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.50 1n5k h PHE 125 CO 0.10 0.99 -0.39 0.00 -0.18 0.00 0.00 178.31 178.83 1n5k h ALA 126 N 0.35 0.04 -0.22 2.45 0.00 -1.68 -3.23 119.26 116.97 1n5k h ALA 126 Ca -0.04 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 1n5k h ALA 126 Cb 1.06 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1n5k h ALA 126 CO 0.07 0.30 -0.56 0.00 0.00 0.00 0.00 179.25 179.07 1n5k h ARG 127 N -1.00 0.67 0.00 0.00 3.08 -1.40 -3.30 114.38 112.43 1n5k h ARG 127 Ca -0.05 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1n5k h ARG 127 Cb 0.51 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1n5k h ARG 127 CO -0.03 1.05 -1.02 1.28 -1.07 0.00 0.00 179.97 180.17 1n5k n LEU 128 N -3.97 0.61 -0.08 3.04 4.77 -0.21 -4.99 117.00 116.17 1n5k n LEU 128 Ca -0.04 0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1n5k n LEU 128 Cb 0.62 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1n5k n LEU 128 CO 0.48 0.02 -0.01 0.61 -1.33 0.00 0.00 177.39 177.17 1n5k n GLY 129 N 1.35 0.45 3.71 -0.72 0.00 -1.06 -4.89 105.19 104.03 1n5k n GLY 129 Ca 0.02 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1n5k n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5k s LEU 130 N -0.24 4.35 0.35 0.99 1.43 -0.70 -4.97 118.68 119.90 1n5k s LEU 130 Ca 0.00 2.06 -0.29 0.00 -1.03 0.00 0.00 54.13 54.88 1n5k s LEU 130 Cb 0.00 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.54 1n5k s LEU 130 CO 0.00 -0.57 1.50 -2.84 0.23 0.00 0.00 176.35 174.68 1n5k s PRO 131 N 1.48 4.12 0.16 1.29 0.02 -1.26 -4.45 135.00 136.37 1n5k s PRO 131 Ca 0.60 2.55 -0.30 0.00 0.02 0.00 0.00 61.00 63.88 1n5k s PRO 131 Cb -0.31 -2.99 -0.07 0.00 0.02 0.00 0.00 34.50 31.15 1n5k s PRO 131 CO 0.28 -0.54 1.07 0.15 -0.33 0.00 0.00 177.00 177.63 1n5k s LYS 132 N -1.66 4.61 0.52 5.54 1.02 -1.26 -5.00 119.74 123.52 1n5k s LYS 132 Ca 0.55 1.67 -0.20 0.00 0.02 0.00 0.00 55.97 58.01 1n5k s LYS 132 Cb -0.46 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 33.49 1n5k s LYS 132 CO 0.59 0.10 1.15 -1.25 -0.92 0.00 0.00 175.35 175.02 1n5k s PRO 133 N -0.27 3.43 0.12 -1.68 0.04 -1.26 -4.92 135.00 130.45 1n5k s PRO 133 Ca 0.49 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 63.17 1n5k s PRO 133 Cb -0.28 -2.11 -0.13 0.00 0.04 0.00 0.00 34.50 32.01 1n5k s PRO 133 CO 0.34 -0.81 1.27 -0.44 0.04 0.00 0.00 177.00 177.40 1n5k h ASP 134 N 1.41 0.53 -3.83 6.66 3.32 -1.11 -3.44 116.42 119.96 1n5k h ASP 134 Ca -0.50 -0.45 -0.23 0.00 0.02 0.00 0.00 57.03 55.87 1n5k h ASP 134 Cb 1.26 -0.16 -0.28 0.00 0.22 0.00 0.00 39.33 40.37 1n5k h ASP 134 CO 0.58 1.26 -0.72 0.26 -1.72 0.00 0.00 179.24 178.90 1n5k s TRP 135 N -3.16 0.05 -0.21 4.55 0.52 -1.14 -4.22 118.94 115.32 1n5k s TRP 135 Ca -0.06 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.04 1n5k s TRP 135 Cb 0.08 -0.03 0.04 0.00 -1.15 0.00 0.00 33.47 32.41 1n5k s TRP 135 CO 0.87 -0.01 -0.15 -0.65 0.02 0.00 0.00 176.95 177.03 1n5k s GLN 136 N -0.11 2.50 -0.34 4.98 -0.21 -0.43 -1.28 119.66 124.78 1n5k s GLN 136 Ca -0.01 -1.01 -0.12 0.00 0.02 0.00 0.00 55.36 54.24 1n5k s GLN 136 Cb -0.01 -2.64 -0.01 0.00 1.00 0.00 0.00 33.01 31.36 1n5k s GLN 136 CO -0.00 -0.38 0.21 0.08 -2.12 0.00 0.00 175.29 173.08 1n5k s VAL 137 N 1.25 4.99 -0.25 1.09 1.01 0.57 -1.82 120.40 127.24 1n5k s VAL 137 Ca -0.01 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 1n5k s VAL 137 Cb -0.16 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1n5k s VAL 137 CO -0.09 -0.03 0.55 -0.22 0.00 0.00 0.00 175.10 175.32 1n5k s LEU 138 N 1.67 4.06 -1.17 3.92 2.96 0.20 -0.73 118.68 129.59 1n5k s LEU 138 Ca 0.05 0.59 -0.11 0.00 -0.22 0.00 0.00 54.13 54.44 1n5k s LEU 138 Cb -0.18 -2.73 0.22 0.00 0.50 0.00 0.00 46.19 44.01 1n5k s LEU 138 CO 0.09 -0.31 1.30 -0.11 -1.32 0.00 0.00 176.35 176.00 1n5k n LEU 139 N 5.55 5.41 -4.75 -0.68 7.94 -0.31 -0.99 117.00 129.16 1n5k n LEU 139 Ca -0.03 -4.75 -0.41 0.00 -1.11 0.00 0.00 56.01 49.71 1n5k n LEU 139 Cb 0.49 -1.55 -0.02 0.00 0.53 0.00 0.00 43.42 42.88 1n5k n LEU 139 CO 0.41 1.04 1.11 0.00 -1.11 0.00 0.00 177.39 178.85 1n5k s ALA 140 N 0.14 3.63 -0.02 1.96 0.00 -1.13 -4.65 121.76 121.69 1n5k s ALA 140 Ca 0.37 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.67 1n5k s ALA 140 Cb -0.06 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1n5k s ALA 140 CO -0.03 -0.77 0.05 0.54 0.00 0.00 0.00 175.76 175.55 1n5k s VAL 141 N -0.13 -0.02 0.70 0.00 0.11 -1.26 -4.81 120.40 115.00 1n5k s VAL 141 Ca 0.59 0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 59.57 1n5k s VAL 141 Cb -0.42 -0.09 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1n5k s VAL 141 CO 0.45 0.03 1.10 -0.94 -3.33 0.00 0.00 175.10 172.40 1n5k s SER 142 N 0.37 4.95 0.23 3.54 1.04 -1.26 -4.83 113.70 117.74 1n5k s SER 142 Ca -0.03 1.90 -0.08 0.00 0.48 0.00 0.00 55.95 58.22 1n5k s SER 142 Cb -0.04 -2.54 0.20 0.00 0.10 0.00 0.00 66.02 63.75 1n5k s SER 142 CO -0.01 -1.73 1.89 0.00 0.98 0.00 0.00 173.24 174.37 1n5k h ALA 143 N -0.40 1.11 -0.24 5.32 0.00 -1.95 0.33 119.26 123.44 1n5k h ALA 143 Ca -0.45 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1n5k h ALA 143 Cb 1.24 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1n5k h ALA 143 CO 0.53 0.54 0.14 1.49 0.00 0.00 0.00 179.25 181.95 1n5k h GLU 144 N 1.19 0.33 -0.46 0.00 4.22 -1.97 1.15 114.58 119.05 1n5k h GLU 144 Ca 0.32 -0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.62 1n5k h GLU 144 Cb -0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1n5k h GLU 144 CO -0.07 0.27 -0.16 1.25 -2.18 0.00 0.00 179.01 178.13 1n5k h LEU 145 N 0.30 0.88 0.02 1.64 5.85 -1.87 -1.71 115.31 120.42 1n5k h LEU 145 Ca 0.09 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1n5k h LEU 145 Cb 0.03 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1n5k h LEU 145 CO -0.02 1.03 -0.01 0.00 -0.34 0.00 0.00 178.44 179.10 1n5k h ALA 146 N 1.04 -0.03 0.00 1.25 0.00 -0.64 -0.37 119.26 120.51 1n5k h ALA 146 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1n5k h ALA 146 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1n5k h ALA 146 CO 0.05 -0.33 0.16 0.78 0.00 0.00 0.00 179.25 179.91 1n5k h GLY 147 N -0.41 0.00 0.07 0.00 0.00 0.15 -2.27 103.07 100.61 1n5k h GLY 147 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1n5k h GLY 147 CO 0.01 0.00 -1.48 -1.84 0.00 0.00 0.00 176.54 173.23 1n5k n GLU 148 N -2.71 0.59 -3.38 4.80 0.28 -0.66 -5.06 120.64 114.50 1n5k n GLU 148 Ca -0.02 0.51 -0.45 0.00 -0.16 0.00 0.00 57.16 57.04 1n5k n GLU 148 Cb 0.21 -1.72 -0.02 0.00 1.43 0.00 0.00 31.44 31.34 1n5k n GLU 148 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1n5k s ARG 149 N -2.40 3.73 -0.42 3.44 1.70 -0.19 -5.10 118.95 119.71 1n5k s ARG 149 Ca -0.29 -2.80 0.04 0.00 -0.47 0.00 0.00 55.73 52.21 1n5k s ARG 149 Cb 0.07 -4.39 0.17 0.00 -0.57 0.00 0.00 34.95 30.22 1n5k s ARG 149 CO 0.60 -1.26 0.43 1.03 -1.08 0.00 0.00 175.30 175.02 1n5k s ARG 162 N -0.48 0.83 1.02 3.89 1.81 -1.26 -4.79 118.95 119.97 1n5k s ARG 162 Ca 0.23 -1.41 -0.16 0.00 -1.72 0.00 0.00 55.73 52.66 1n5k s ARG 162 Cb -0.11 -0.88 0.21 0.00 -0.45 0.00 0.00 34.95 33.73 1n5k s ARG 162 CO -0.08 -1.30 1.24 0.16 -0.68 0.00 0.00 175.30 174.64 1n5k s ASP 163 N 0.76 2.61 0.26 0.23 1.47 -1.26 -4.81 116.67 115.94 1n5k s ASP 163 Ca 0.26 0.46 -0.02 0.00 1.18 0.00 0.00 52.55 54.43 1n5k s ASP 163 Cb -0.05 -0.63 0.47 0.00 -0.34 0.00 0.00 42.92 42.37 1n5k s ASP 163 CO -0.09 -3.06 1.82 0.78 0.68 0.00 0.00 175.17 175.30 1n5k h ASN 164 N -1.86 0.81 -0.09 2.11 4.21 -0.40 -2.64 115.58 117.71 1n5k h ASN 164 Ca -0.45 0.05 -0.07 0.00 1.21 0.00 0.00 56.30 57.03 1n5k h ASN 164 Cb 1.26 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 1n5k h ASN 164 CO 0.41 0.45 -0.22 1.88 -1.29 0.00 0.00 177.43 178.65 1n5k h TYR 165 N 0.90 0.40 -0.94 1.19 -1.99 -1.93 -3.14 116.97 111.46 1n5k h TYR 165 Ca 0.45 -0.15 0.04 0.00 2.00 0.00 0.00 58.73 61.06 1n5k h TYR 165 Cb 0.41 -0.07 -0.06 0.00 2.00 0.00 0.00 36.73 39.02 1n5k h TYR 165 CO -0.03 0.83 0.61 0.93 -0.00 0.00 0.00 178.16 180.50 1n5k h GLU 166 N -0.15 1.14 0.00 4.88 5.08 -1.90 -2.63 114.58 121.01 1n5k h GLU 166 Ca -0.00 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1n5k h GLU 166 Cb 0.82 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1n5k h GLU 166 CO 0.05 0.76 -0.24 0.00 -1.00 0.00 0.00 179.01 178.57 1n5k h ARG 167 N 1.18 0.00 -6.10 2.33 3.08 -1.56 -3.41 114.38 109.90 1n5k h ARG 167 Ca 0.38 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.83 1n5k h ARG 167 Cb 0.01 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.96 1n5k h ARG 167 CO -0.12 0.24 1.45 0.34 -1.07 0.00 0.00 179.97 180.81 1n5k s ASP 168 N -6.21 6.48 0.22 7.04 -1.08 -0.99 -4.87 116.67 117.26 1n5k s ASP 168 Ca 0.01 -1.39 -0.08 0.00 -0.52 0.00 0.00 52.55 50.57 1n5k s ASP 168 Cb 0.10 -2.56 0.25 0.00 -1.46 0.00 0.00 42.92 39.25 1n5k s ASP 168 CO 0.65 -1.52 1.85 0.00 0.52 0.00 0.00 175.17 176.67 1n5k h ALA 169 N 9.79 1.03 -0.69 3.66 0.00 -1.84 -1.95 119.26 129.27 1n5k h ALA 169 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1n5k h ALA 169 Cb 1.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1n5k h ALA 169 CO 1.41 0.24 0.41 1.05 0.00 0.00 0.00 179.25 182.36 1n5k h GLU 170 N 0.91 0.93 -0.21 0.00 9.09 -1.96 -2.19 114.58 121.14 1n5k h GLU 170 Ca 0.32 -0.09 -0.00 0.00 0.05 0.00 0.00 59.36 59.64 1n5k h GLU 170 Cb 0.09 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 26.98 1n5k h GLU 170 CO -0.14 0.67 0.13 1.25 0.05 0.00 0.00 179.01 180.96 1n5k h LEU 171 N 0.93 0.25 -0.58 3.06 5.85 -1.76 -1.44 115.31 121.63 1n5k h LEU 171 Ca 0.25 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.96 1n5k h LEU 171 Cb -0.02 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1n5k h LEU 171 CO -0.05 0.23 0.32 1.56 -0.34 0.00 0.00 178.44 180.17 1n5k h GLN 172 N 0.25 0.60 -0.24 1.25 1.08 -1.14 0.21 115.11 117.13 1n5k h GLN 172 Ca 0.08 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1n5k h GLN 172 Cb 0.03 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1n5k h GLN 172 CO -0.01 0.40 0.13 0.37 -0.95 0.00 0.00 178.83 178.77 1n5k h GLN 173 N 0.62 0.33 -0.33 1.46 4.15 -1.16 -0.65 115.11 119.53 1n5k h GLN 173 Ca 0.25 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 1n5k h GLN 173 Cb 0.11 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1n5k h GLN 173 CO -0.15 0.29 -0.00 0.00 -1.93 0.00 0.00 178.83 177.05 1n5k h ARG 174 N 0.28 0.51 -0.49 1.69 3.08 -0.82 -1.43 114.38 117.20 1n5k h ARG 174 Ca 0.08 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1n5k h ARG 174 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1n5k h ARG 174 CO -0.01 0.54 -0.18 1.15 -1.07 0.00 0.00 179.97 180.40 1n5k h THR 175 N 0.49 1.27 -0.80 2.04 2.02 -0.19 -0.48 112.91 117.26 1n5k h THR 175 Ca 0.11 -1.33 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 1n5k h THR 175 Cb 0.32 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1n5k h THR 175 CO 0.01 0.46 0.33 1.23 0.37 0.00 0.00 175.52 177.92 1n5k h GLY 176 N 0.91 1.28 1.04 2.16 0.00 -0.53 -1.04 103.07 106.89 1n5k h GLY 176 Ca 0.12 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 1n5k h GLY 176 CO 0.06 0.65 0.11 0.00 0.00 0.00 0.00 176.54 177.36 1n5k h ALA 177 N 1.19 0.81 -0.35 3.60 0.00 -0.94 -1.84 119.26 121.72 1n5k h ALA 177 Ca 0.27 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1n5k h ALA 177 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1n5k h ALA 177 CO -0.02 0.56 0.07 0.28 0.00 0.00 0.00 179.25 180.13 1n5k h VAL 178 N 0.91 1.23 -0.42 0.00 2.07 -0.71 -2.75 116.25 116.58 1n5k h VAL 178 Ca 0.19 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1n5k h VAL 178 Cb 0.42 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1n5k h VAL 178 CO 0.01 0.27 0.06 1.88 0.02 0.00 0.00 177.57 179.81 1n5k h TYR 179 N 0.42 0.09 -0.59 1.57 0.99 -1.05 0.22 116.97 118.62 1n5k h TYR 179 Ca 0.11 0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.94 1n5k h TYR 179 Cb 0.34 0.03 -0.04 0.00 1.00 0.00 0.00 36.73 38.06 1n5k h TYR 179 CO 0.02 -0.02 0.39 0.00 -0.00 0.00 0.00 178.16 178.55 1n5k h ALA 180 N 1.34 1.91 0.11 3.88 0.00 -1.20 -0.72 119.26 124.57 1n5k h ALA 180 Ca 0.21 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.82 1n5k h ALA 180 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n5k h ALA 180 CO -0.29 -0.02 -1.34 0.93 0.00 0.00 0.00 179.25 178.52 1n5k h GLU 181 N 0.50 0.22 -0.75 0.00 3.07 -0.93 -2.58 114.58 114.10 1n5k h GLU 181 Ca 0.26 -0.38 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1n5k h GLU 181 Cb 0.39 0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 1n5k h GLU 181 CO -0.08 1.13 0.48 -0.07 -1.40 0.00 0.00 179.01 179.07 1n5k h LEU 182 N 0.06 0.88 -0.24 1.33 3.38 0.19 -0.50 115.31 120.41 1n5k h LEU 182 Ca -0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1n5k h LEU 182 Cb 1.97 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 1n5k h LEU 182 CO 0.18 0.65 0.07 0.00 0.09 0.00 0.00 178.44 179.43 1n5k h ALA 183 N 1.26 0.31 -0.26 1.53 0.00 -1.20 -1.39 119.26 119.51 1n5k h ALA 183 Ca 0.27 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1n5k h ALA 183 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1n5k h ALA 183 CO -0.06 -0.06 -0.13 0.00 0.00 0.00 0.00 179.25 179.00 1n5k h ALA 184 N 0.90 1.30 -0.09 0.00 0.00 -1.18 -2.79 119.26 117.40 1n5k h ALA 184 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1n5k h ALA 184 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1n5k h ALA 184 CO -0.00 0.47 0.00 1.04 0.00 0.00 0.00 179.25 180.76 1n5k n GLN 185 N -4.21 1.64 -3.53 0.00 6.02 -0.22 -4.94 117.38 112.13 1n5k n GLN 185 Ca 0.00 -0.94 -0.22 0.00 -0.01 0.00 0.00 57.00 55.83 1n5k n GLN 185 Cb 0.31 -1.43 0.08 0.00 1.02 0.00 0.00 30.24 30.22 1n5k n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n5k n GLY 186 N 1.13 -0.46 3.69 1.08 0.00 -0.85 -4.92 105.19 104.85 1n5k n GLY 186 Ca 0.18 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 1n5k n GLY 186 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1n5k s TRP 187 N -3.31 2.27 0.00 1.61 -0.00 -0.58 -2.17 118.94 116.76 1n5k s TRP 187 Ca 0.51 0.14 0.00 0.00 -0.00 0.00 0.00 56.10 56.75 1n5k s TRP 187 Cb -0.22 -4.07 0.00 0.00 -0.00 0.00 0.00 33.47 29.18 1n5k s TRP 187 CO 0.70 -4.37 0.00 0.41 -0.00 0.00 0.00 176.95 173.68 1n5k n GLY 188 N 4.12 1.54 0.00 5.86 0.00 -1.26 -4.77 105.19 110.67 1n5k n GLY 188 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1n5k n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5k n GLY 189 N -2.00 0.32 3.75 -0.02 0.00 -0.92 -4.63 105.19 101.69 1n5k n GLY 189 Ca 0.00 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 1n5k n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5k s ARG 190 N -2.00 4.60 0.28 1.61 3.00 -1.26 -4.45 118.95 120.73 1n5k s ARG 190 Ca 0.00 1.79 0.11 0.00 0.00 0.00 0.00 55.73 57.63 1n5k s ARG 190 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 34.95 31.68 1n5k s ARG 190 CO 0.00 0.13 -0.17 -1.58 0.00 0.00 0.00 175.30 173.68 1n5k s TRP 191 N -0.75 2.20 -0.01 -0.53 0.52 -1.26 -1.31 118.94 117.80 1n5k s TRP 191 Ca 0.47 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.19 1n5k s TRP 191 Cb -0.31 -1.01 0.01 0.00 -1.15 0.00 0.00 33.47 31.01 1n5k s TRP 191 CO 0.39 0.63 0.01 -0.51 0.02 0.00 0.00 176.95 177.49 1n5k s LEU 192 N -3.49 1.60 -0.16 2.99 1.43 -0.76 -4.92 118.68 115.37 1n5k s LEU 192 Ca 0.29 0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.36 1n5k s LEU 192 Cb -0.03 -0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 1n5k s LEU 192 CO 0.14 -0.05 -0.03 -0.69 0.23 0.00 0.00 176.35 175.94 1n5k s VAL 193 N 0.46 3.94 0.22 -1.59 1.01 -1.26 -0.63 120.40 122.55 1n5k s VAL 193 Ca -0.04 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1n5k s VAL 193 Cb -0.06 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1n5k s VAL 193 CO -0.01 0.49 0.08 0.68 0.00 0.00 0.00 175.10 176.34 1n5k s VAL 194 N 0.38 0.43 0.46 2.92 -7.23 -0.17 -4.95 120.40 112.24 1n5k s VAL 194 Ca -0.04 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1n5k s VAL 194 Cb -0.14 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 1n5k s VAL 194 CO 0.03 -0.15 0.36 -0.83 -0.31 0.00 0.00 175.10 174.20 1n5k s GLY 195 N -3.23 2.23 0.00 2.32 0.00 -1.26 -2.83 107.32 104.55 1n5k s GLY 195 Ca 0.34 -1.76 0.14 0.00 0.00 0.00 0.00 44.72 43.44 1n5k s GLY 195 CO 0.10 -1.81 1.38 0.00 0.00 0.00 0.00 173.10 172.78 1n5k n ALA 196 N -1.58 1.78 0.80 3.20 0.00 -1.26 -2.26 120.51 121.19 1n5k n ALA 196 Ca 0.02 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.49 1n5k n ALA 196 Cb 0.63 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.89 1n5k n ALA 196 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n5k n ASP 197 N -1.32 2.20 -4.49 0.00 3.85 -1.26 -5.01 116.55 110.52 1n5k n ASP 197 Ca 0.06 -1.60 -0.46 0.00 -0.71 0.00 0.00 54.79 52.08 1n5k n ASP 197 Cb 0.12 0.23 -0.02 0.00 -1.35 0.00 0.00 41.12 40.09 1n5k n ASP 197 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1n5k n VAL 198 N 0.52 1.96 -2.56 2.12 3.14 -0.96 -4.85 118.33 117.70 1n5k n VAL 198 Ca 0.09 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.55 1n5k n VAL 198 Cb 0.43 -0.49 -0.02 0.00 -1.06 0.00 0.00 33.84 32.70 1n5k n VAL 198 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1n5k s ASP 199 N -0.80 6.90 0.21 6.55 2.15 -1.26 -4.93 116.67 125.49 1n5k s ASP 199 Ca 0.61 1.23 -0.12 0.00 0.43 0.00 0.00 52.55 54.71 1n5k s ASP 199 Cb -0.80 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 39.55 1n5k s ASP 199 CO 0.58 -0.88 1.66 -0.65 -0.17 0.00 0.00 175.17 175.72 1n5k h PRO 200 N 8.28 0.10 -0.37 4.34 0.11 -1.90 -1.63 132.00 140.93 1n5k h PRO 200 Ca -0.22 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.91 1n5k h PRO 200 Cb 1.07 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1n5k h PRO 200 CO 1.02 0.06 0.16 0.78 -0.21 0.00 0.00 178.00 179.81 1n5k h GLY 201 N 0.10 0.49 1.32 -0.55 0.00 -1.91 -0.81 103.07 101.71 1n5k h GLY 201 Ca 0.31 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.39 1n5k h GLY 201 CO -0.52 0.06 -0.38 3.21 0.00 0.00 0.00 176.54 178.91 1n5k h ARG 202 N 0.33 0.75 -0.22 4.80 3.08 -1.89 -1.56 114.38 119.68 1n5k h ARG 202 Ca 0.16 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1n5k h ARG 202 Cb 0.10 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1n5k h ARG 202 CO -0.14 1.00 0.09 1.25 -1.07 0.00 0.00 179.97 181.11 1n5k h LEU 203 N 0.62 0.29 -0.95 3.04 5.85 -1.07 0.12 115.31 123.20 1n5k h LEU 203 Ca 0.05 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1n5k h LEU 203 Cb 0.93 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 1n5k h LEU 203 CO 0.08 0.35 0.59 0.00 -0.34 0.00 0.00 178.44 179.13 1n5k h ALA 204 N 0.95 1.21 -0.51 1.25 0.00 -1.09 0.98 119.26 122.04 1n5k h ALA 204 Ca 0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1n5k h ALA 204 Cb 0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1n5k h ALA 204 CO -0.01 0.65 -0.00 0.00 0.00 0.00 0.00 179.25 179.89 1n5k h ALA 205 N 1.33 1.03 -0.24 0.00 0.00 -0.88 -1.01 119.26 119.48 1n5k h ALA 205 Ca 0.34 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1n5k h ALA 205 Cb -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1n5k h ALA 205 CO -0.07 0.60 -0.40 1.15 0.00 0.00 0.00 179.25 180.53 1n5k h THR 206 N 0.81 1.30 -0.24 0.00 2.02 0.12 -2.96 112.91 113.97 1n5k h THR 206 Ca 0.15 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1n5k h THR 206 Cb 0.49 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1n5k h THR 206 CO 0.02 0.50 0.00 0.18 0.37 0.00 0.00 175.52 176.59 1n5k n LEU 207 N -4.03 1.76 0.00 2.58 4.77 0.25 -5.09 117.00 117.24 1n5k n LEU 207 Ca -0.02 -0.79 0.06 0.00 -0.03 0.00 0.00 56.01 55.24 1n5k n LEU 207 Cb 0.52 -0.15 0.38 0.00 -2.33 0.00 0.00 43.42 41.83 1n5k n LEU 207 CO 0.45 0.40 0.60 0.00 -1.33 0.00 0.00 177.39 177.50