#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3k h ALA 2 N 0.00 0.84 -0.35 -5.12 0.00 -1.98 0.22 119.26 112.86 1n3k h ALA 2 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1n3k h ALA 2 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1n3k h ALA 2 CO 0.00 0.66 0.13 0.93 0.00 0.00 0.00 179.25 180.97 1n3k h GLU 3 N 0.87 0.53 -0.84 0.00 3.07 -1.98 -1.01 114.58 115.21 1n3k h GLU 3 Ca 0.14 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1n3k h GLU 3 Cb 0.64 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.43 1n3k h GLU 3 CO 0.04 0.53 0.45 -0.92 -1.40 0.00 0.00 179.01 177.71 1n3k h TYR 4 N 0.42 1.16 -0.50 4.33 3.20 -1.80 0.90 116.97 124.69 1n3k h TYR 4 Ca 0.12 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1n3k h TYR 4 Cb 0.20 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 1n3k h TYR 4 CO -0.00 0.81 0.31 0.78 -1.64 0.00 0.00 178.16 178.43 1n3k h GLY 5 N 1.18 0.70 1.41 1.82 0.00 -0.12 -0.94 103.07 107.12 1n3k h GLY 5 Ca 0.30 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 1n3k h GLY 5 CO -0.05 0.22 -0.41 -0.84 0.00 0.00 0.00 176.54 175.47 1n3k h THR 6 N 0.63 1.30 0.31 4.70 2.02 -0.71 -1.56 112.91 119.61 1n3k h THR 6 Ca 0.19 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1n3k h THR 6 Cb -0.03 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1n3k h THR 6 CO -0.06 0.51 -0.45 0.25 0.37 0.00 0.00 175.52 176.13 1n3k h LEU 7 N 0.53 -1.28 -1.24 2.58 5.85 0.16 1.32 115.31 123.22 1n3k h LEU 7 Ca 0.04 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1n3k h LEU 7 Cb 0.94 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 1n3k h LEU 7 CO 0.08 -0.57 0.53 -0.07 -0.34 0.00 0.00 178.44 178.07 1n3k h LEU 8 N -0.82 0.86 -0.74 2.25 4.07 -1.20 -0.63 115.31 119.10 1n3k h LEU 8 Ca -0.02 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.84 1n3k h LEU 8 Cb 0.76 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1n3k h LEU 8 CO -0.15 0.59 0.03 -0.61 -1.08 0.00 0.00 178.44 177.23 1n3k h GLN 9 N 1.00 1.00 0.02 1.13 4.15 -0.25 0.57 115.11 122.73 1n3k h GLN 9 Ca 0.31 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1n3k h GLN 9 Cb 0.02 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1n3k h GLN 9 CO -0.09 0.96 -0.01 -0.44 -1.93 0.00 0.00 178.83 177.32 1n3k h ASP 10 N 0.92 -0.03 -0.03 -0.69 3.32 0.32 0.88 116.42 121.11 1n3k h ASP 10 Ca 0.17 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1n3k h ASP 10 Cb 0.49 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1n3k h ASP 10 CO 0.02 0.05 -0.23 0.17 -1.72 0.00 0.00 179.24 177.53 1n3k h LEU 11 N -0.10 0.44 -1.20 1.55 8.10 -1.28 -0.76 115.31 122.05 1n3k h LEU 11 Ca -0.00 -0.14 -0.00 0.00 0.11 0.00 0.00 57.88 57.85 1n3k h LEU 11 Cb 0.09 -0.12 -0.04 0.00 -0.44 0.00 0.00 40.66 40.16 1n3k h LEU 11 CO 0.01 0.67 0.45 0.74 -4.11 0.00 0.00 178.44 176.20 1n3k h THR 12 N 0.39 1.20 -0.23 0.15 2.02 -0.27 1.13 112.91 117.29 1n3k h THR 12 Ca 0.06 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1n3k h THR 12 Cb 0.62 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1n3k h THR 12 CO 0.04 0.21 -0.06 0.78 0.37 0.00 0.00 175.52 176.87 1n3k h ASN 13 N 1.02 0.34 -0.11 4.18 2.35 0.22 -0.74 115.58 122.82 1n3k h ASN 13 Ca 0.27 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1n3k h ASN 13 Cb -0.06 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1n3k h ASN 13 CO -0.05 0.44 0.00 0.59 -1.65 0.00 0.00 177.43 176.76 1n3k n ASN 14 N -4.29 2.25 -4.62 5.81 5.03 0.40 -4.88 115.26 114.97 1n3k n ASN 14 Ca 0.00 -1.76 -0.41 0.00 0.87 0.00 0.00 54.58 53.28 1n3k n ASN 14 Cb 0.24 -0.06 -0.07 0.00 -1.02 0.00 0.00 39.78 38.87 1n3k n ASN 14 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1n3k s ILE 15 N -1.87 4.98 0.43 2.41 -1.16 0.36 -4.97 121.20 121.37 1n3k s ILE 15 Ca 0.34 1.00 -0.04 0.00 -0.51 0.00 0.00 60.65 61.44 1n3k s ILE 15 Cb 0.20 -3.94 -0.04 0.00 0.61 0.00 0.00 42.46 39.29 1n3k s ILE 15 CO 0.31 -0.02 0.71 0.42 -2.81 0.00 0.00 174.94 173.54 1n3k s THR 16 N 2.51 4.96 0.35 4.00 -4.23 -1.26 -4.86 115.64 117.11 1n3k s THR 16 Ca 0.25 0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 1n3k s THR 16 Cb -0.15 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.07 1n3k s THR 16 CO 0.10 -0.71 1.97 0.25 -0.54 0.00 0.00 174.62 175.69 1n3k h LEU 17 N 0.55 0.64 -0.20 4.79 5.85 -1.97 0.21 115.31 125.19 1n3k h LEU 17 Ca -0.48 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 1n3k h LEU 17 Cb 1.21 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1n3k h LEU 17 CO 0.62 0.53 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.82 1n3k h GLU 18 N 0.73 0.42 -0.88 1.25 5.08 -1.97 -2.65 114.58 116.56 1n3k h GLU 18 Ca 0.19 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n3k h GLU 18 Cb 0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1n3k h GLU 18 CO -0.03 0.72 0.56 -0.44 -1.00 0.00 0.00 179.01 178.82 1n3k h ASP 19 N 0.11 1.03 -0.29 1.42 3.32 -1.74 -2.36 116.42 117.91 1n3k h ASP 19 Ca 0.04 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1n3k h ASP 19 Cb 0.59 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1n3k h ASP 19 CO 0.03 0.76 0.06 -0.07 -1.72 0.00 0.00 179.24 178.31 1n3k h LEU 20 N 1.20 0.03 -2.32 1.55 3.38 -0.49 0.14 115.31 118.79 1n3k h LEU 20 Ca 0.32 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1n3k h LEU 20 Cb -0.10 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1n3k h LEU 20 CO -0.07 0.05 0.05 -0.33 0.09 0.00 0.00 178.44 178.24 1n3k h GLU 21 N 0.17 0.00 -0.13 1.13 5.08 -1.10 1.19 114.58 120.93 1n3k h GLU 21 Ca 0.13 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 1n3k h GLU 21 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1n3k h GLU 21 CO -0.17 0.00 -0.52 0.37 -1.00 0.00 0.00 179.01 177.68 1n3k h GLN 22 N 0.00 0.59 -0.13 2.33 4.15 -0.34 0.60 115.11 122.31 1n3k h GLN 22 Ca 0.02 -0.46 -0.00 0.00 0.77 0.00 0.00 58.65 58.98 1n3k h GLN 22 Cb 0.13 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1n3k h GLN 22 CO -0.00 1.08 0.06 -0.07 -1.93 0.00 0.00 178.83 177.97 1n3k h LEU 23 N 0.23 0.17 -1.03 -2.39 3.38 0.15 -1.37 115.31 114.46 1n3k h LEU 23 Ca -0.03 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1n3k h LEU 23 Cb 1.16 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1n3k h LEU 23 CO 0.11 0.24 0.65 0.11 0.09 0.00 0.00 178.44 179.64 1n3k h LYS 24 N 0.09 1.20 -0.96 1.13 1.57 0.14 0.88 116.57 120.61 1n3k h LYS 24 Ca 0.04 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1n3k h LYS 24 Cb 0.12 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 1n3k h LYS 24 CO -0.01 0.79 0.63 0.77 -0.57 0.00 0.00 179.45 181.07 1n3k h SER 25 N 1.23 1.11 0.46 0.86 0.02 0.71 0.62 113.55 118.56 1n3k h SER 25 Ca 0.40 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 61.15 1n3k h SER 25 Cb 0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1n3k h SER 25 CO -0.13 0.81 -0.75 0.00 -1.14 0.00 0.00 176.83 175.62 1n3k h ALA 26 N 1.35 0.66 -0.00 3.77 0.00 -0.08 -2.97 119.26 121.99 1n3k h ALA 26 Ca 0.35 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1n3k h ALA 26 Cb -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1n3k h ALA 26 CO -0.08 0.82 -0.02 0.00 0.00 0.00 0.00 179.25 179.98 1n3k h LYS 28 N 0.48 0.29 -0.00 0.00 1.79 0.32 1.24 116.57 120.70 1n3k h LYS 28 Ca 0.00 -0.02 -0.25 0.00 -2.18 0.00 0.00 60.65 58.20 1n3k h LYS 28 Cb 0.18 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1n3k h LYS 28 CO 0.00 0.19 -1.01 0.93 -1.08 0.00 0.00 179.45 178.48 1n3k h GLU 29 N 0.30 0.61 0.07 3.15 4.39 -1.82 -3.39 114.58 117.88 1n3k h GLU 29 Ca 0.46 -0.65 -0.38 0.00 0.34 0.00 0.00 59.36 59.13 1n3k h GLU 29 Cb 1.32 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 30.12 1n3k h GLU 29 CO -0.14 1.25 -2.22 -0.25 -1.16 0.00 0.00 179.01 176.49 1n3k n ASP 30 N -3.82 2.06 -4.60 1.42 8.00 0.10 -4.94 116.55 114.77 1n3k n ASP 30 Ca -0.10 0.05 -0.34 0.00 0.71 0.00 0.00 54.79 55.11 1n3k n ASP 30 Cb 0.87 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 41.21 1n3k n ASP 30 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1n3k s ILE 31 N -2.54 4.34 0.41 0.53 -1.16 0.41 -5.09 121.20 118.10 1n3k s ILE 31 Ca -0.28 -0.21 -0.27 0.00 -0.51 0.00 0.00 60.65 59.38 1n3k s ILE 31 Cb 0.08 -2.90 -0.09 0.00 0.61 0.00 0.00 42.46 40.15 1n3k s ILE 31 CO 0.69 0.52 1.43 -2.16 -2.81 0.00 0.00 174.94 172.60 1n3k s PRO 32 N -0.00 3.92 0.41 3.50 0.04 -1.26 -4.31 135.00 137.29 1n3k s PRO 32 Ca 0.03 2.43 0.10 0.00 0.04 0.00 0.00 61.00 63.61 1n3k s PRO 32 Cb -0.13 -2.81 0.85 0.00 0.04 0.00 0.00 34.50 32.46 1n3k s PRO 32 CO 0.02 -0.63 1.95 1.03 0.04 0.00 0.00 177.00 179.41 1n3k h SER 33 N 2.69 0.19 -0.06 6.66 0.87 -1.93 -1.68 113.55 120.29 1n3k h SER 33 Ca -0.51 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.04 1n3k h SER 33 Cb 1.25 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1n3k h SER 33 CO 0.63 0.32 0.06 -0.08 -0.53 0.00 0.00 176.83 177.23 1n3k h GLU 34 N 0.20 0.00 0.00 2.24 4.57 -2.02 -1.74 114.58 117.83 1n3k h GLU 34 Ca 0.04 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.91 1n3k h GLU 34 Cb 0.31 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.84 1n3k h GLU 34 CO 0.02 0.00 -2.13 1.63 -1.18 0.00 0.00 179.01 177.34 1n3k n LYS 35 N -3.91 0.67 0.01 1.92 4.76 -0.71 -4.24 118.16 116.66 1n3k n LYS 35 Ca -0.02 0.07 0.14 0.00 -2.87 0.00 0.00 58.31 55.63 1n3k n LYS 35 Cb 0.16 -1.61 0.59 0.00 -1.84 0.00 0.00 35.03 32.33 1n3k n LYS 35 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1n3k h SER 36 N 0.00 0.18 -0.63 4.39 0.87 -0.51 -0.79 113.55 117.05 1n3k h SER 36 Ca -0.43 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.10 1n3k h SER 36 Cb 2.07 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.97 1n3k h SER 36 CO 0.04 0.11 0.27 -0.33 -0.53 0.00 0.00 176.83 176.39 1n3k h GLU 37 N 0.20 0.96 -0.01 2.24 5.08 -1.68 -1.94 114.58 119.42 1n3k h GLU 37 Ca 0.22 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1n3k h GLU 37 Cb 0.59 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1n3k h GLU 37 CO -0.04 0.78 -0.01 -0.85 -1.00 0.00 0.00 179.01 177.90 1n3k n GLU 38 N -4.31 1.55 -2.21 2.33 0.28 -0.35 -4.50 120.64 113.42 1n3k n GLU 38 Ca 0.06 -0.81 -0.42 0.00 -0.16 0.00 0.00 57.16 55.83 1n3k n GLU 38 Cb 0.17 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.56 1n3k n GLU 38 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1n3k n ILE 39 N -0.02 4.36 1.36 3.84 5.41 -0.73 -4.59 119.36 128.99 1n3k n ILE 39 Ca 0.20 -4.22 0.13 0.00 1.00 0.00 0.00 62.75 59.86 1n3k n ILE 39 Cb 0.32 -2.36 0.45 0.00 -0.71 0.00 0.00 39.64 37.34 1n3k n ILE 39 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1n3k n THR 40 N 3.32 0.08 -3.77 1.39 5.66 -1.26 -4.85 114.28 114.85 1n3k n THR 40 Ca 0.44 -0.30 -0.13 0.00 -3.05 0.00 0.00 64.05 61.01 1n3k n THR 40 Cb 0.35 0.52 -0.09 0.00 -1.55 0.00 0.00 70.33 69.56 1n3k n THR 40 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1n3k s THR 41 N -1.92 0.06 0.44 1.09 -1.32 -1.26 -4.79 115.64 107.94 1n3k s THR 41 Ca 0.36 -0.47 0.12 0.00 -1.21 0.00 0.00 61.69 60.49 1n3k s THR 41 Cb 0.20 -0.60 0.22 0.00 -1.51 0.00 0.00 72.50 70.81 1n3k s THR 41 CO 0.31 -0.26 2.04 1.23 -2.21 0.00 0.00 174.62 175.73 1n3k h GLY 42 N 3.96 0.21 1.00 6.08 0.00 -1.89 0.13 103.07 112.56 1n3k h GLY 42 Ca -0.30 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1n3k h GLY 42 CO 0.40 0.09 0.11 1.76 0.00 0.00 0.00 176.54 178.90 1n3k h SER 43 N 0.19 0.85 -0.14 0.19 0.02 -1.92 0.69 113.55 113.43 1n3k h SER 43 Ca 0.05 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1n3k h SER 43 Cb 0.14 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1n3k h SER 43 CO 0.00 0.87 -0.06 0.00 -1.14 0.00 0.00 176.83 176.51 1n3k h ALA 44 N 1.00 1.39 0.05 3.77 0.00 -1.26 0.31 119.26 124.53 1n3k h ALA 44 Ca 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n3k h ALA 44 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n3k h ALA 44 CO 0.01 0.42 -0.02 2.35 0.00 0.00 0.00 179.25 182.00 1n3k h TRP 45 N 0.42 -0.06 -0.98 0.00 7.01 -0.35 -1.95 115.95 120.04 1n3k h TRP 45 Ca 0.09 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.17 1n3k h TRP 45 Cb 0.37 0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.37 1n3k h TRP 45 CO 0.01 0.45 0.62 0.74 -2.79 0.00 0.00 178.44 177.47 1n3k h PHE 46 N -0.96 1.14 -0.67 2.65 0.04 0.43 1.08 116.94 120.65 1n3k h PHE 46 Ca -0.01 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1n3k h PHE 46 Cb 0.54 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 1n3k h PHE 46 CO 0.13 0.54 0.18 0.77 -0.60 0.00 0.00 178.31 179.32 1n3k h SER 47 N 1.07 1.00 -0.08 2.17 0.02 -0.45 1.41 113.55 118.70 1n3k h SER 47 Ca 0.45 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1n3k h SER 47 Cb 0.29 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1n3k h SER 47 CO -0.21 0.97 0.01 0.15 -1.14 0.00 0.00 176.83 176.61 1n3k h PHE 48 N 0.99 0.14 -0.41 3.45 3.04 -0.30 0.46 116.94 124.31 1n3k h PHE 48 Ca 0.21 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.21 1n3k h PHE 48 Cb 0.34 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.76 1n3k h PHE 48 CO 0.03 0.35 0.05 -0.07 -2.02 0.00 0.00 178.31 176.66 1n3k h LEU 49 N -0.11 -0.05 -0.69 0.59 4.07 0.16 0.34 115.31 119.62 1n3k h LEU 49 Ca 0.02 0.08 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 1n3k h LEU 49 Cb 0.29 0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 1n3k h LEU 49 CO 0.00 0.01 0.24 -0.33 -1.08 0.00 0.00 178.44 177.28 1n3k h GLU 50 N 0.18 1.05 -0.05 1.13 5.08 0.21 -1.53 114.58 120.65 1n3k h GLU 50 Ca 0.20 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1n3k h GLU 50 Cb 0.27 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1n3k h GLU 50 CO -0.29 0.89 0.04 0.77 -1.00 0.00 0.00 179.01 179.42 1n3k h SER 51 N 0.99 0.00 -4.73 1.42 0.02 0.12 -3.43 113.55 107.94 1n3k h SER 51 Ca 0.22 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.94 1n3k h SER 51 Cb 0.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1n3k h SER 51 CO -0.01 0.00 -0.09 1.41 -1.14 0.00 0.00 176.83 177.00 1n3k n HIS 52 N -4.26 -1.66 -0.73 3.45 8.25 -0.01 -5.01 115.22 115.25 1n3k n HIS 52 Ca -0.02 -0.98 -0.19 0.00 -0.26 0.00 0.00 57.72 56.27 1n3k n HIS 52 Cb 0.14 -0.21 0.09 0.00 1.12 0.00 0.00 29.99 31.13 1n3k n HIS 52 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1n3k n ASN 53 N -2.20 5.07 -0.01 0.41 3.02 -1.26 -4.19 115.26 116.11 1n3k n ASN 53 Ca 0.02 -3.18 0.11 0.00 -0.03 0.00 0.00 54.58 51.50 1n3k n ASN 53 Cb 0.27 -0.87 -0.15 0.00 -0.61 0.00 0.00 39.78 38.42 1n3k n ASN 53 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1n3k n LYS 54 N -0.36 0.46 -3.19 3.52 4.76 -1.16 -4.90 118.16 117.28 1n3k n LYS 54 Ca 0.40 -0.13 0.01 0.00 -2.87 0.00 0.00 58.31 55.72 1n3k n LYS 54 Cb 0.97 -1.51 -0.02 0.00 -1.84 0.00 0.00 35.03 32.63 1n3k n LYS 54 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1n3k s LEU 55 N -3.99 -1.27 0.00 -0.35 0.20 -1.16 -4.72 118.68 107.38 1n3k s LEU 55 Ca -0.03 0.59 -0.02 0.00 0.69 0.00 0.00 54.13 55.36 1n3k s LEU 55 Cb 0.15 1.91 0.04 0.00 -0.43 0.00 0.00 46.19 47.86 1n3k s LEU 55 CO 0.89 -0.28 0.24 0.47 -0.29 0.00 0.00 176.35 177.38 1n3k n ASP 56 N 5.41 0.10 0.21 3.68 8.00 -1.15 -4.05 116.55 128.76 1n3k n ASP 56 Ca -0.00 -1.13 0.10 0.00 0.71 0.00 0.00 54.79 54.46 1n3k n ASP 56 Cb 0.51 -0.18 0.34 0.00 -0.02 0.00 0.00 41.12 41.77 1n3k n ASP 56 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1n3k h LYS 57 N 0.00 0.00 0.00 -1.24 5.09 -2.00 -3.31 116.57 115.12 1n3k h LYS 57 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.66 1n3k h LYS 57 Cb 0.23 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.56 1n3k h LYS 57 CO 0.06 0.21 -0.75 -3.47 -2.09 0.00 0.00 179.45 173.41 1n3k n ASP 58 N -3.26 3.29 -4.51 7.07 2.03 -1.26 -4.78 116.55 115.13 1n3k n ASP 58 Ca 0.01 -0.16 -0.43 0.00 0.52 0.00 0.00 54.79 54.73 1n3k n ASP 58 Cb 0.50 1.04 -0.05 0.00 -0.72 0.00 0.00 41.12 41.89 1n3k n ASP 58 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1n3k s ASN 59 N -1.83 6.34 -0.00 1.67 0.01 -1.25 -4.80 114.94 115.09 1n3k s ASN 59 Ca -0.00 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 1n3k s ASN 59 Cb 0.01 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.30 1n3k s ASN 59 CO 0.05 -0.98 0.82 0.00 -1.51 0.00 0.00 177.10 175.48 1n3k n LEU 60 N 6.76 1.26 -0.36 0.60 -0.00 -1.26 -2.91 117.00 121.08 1n3k n LEU 60 Ca -0.00 -1.26 0.03 0.00 -0.00 0.00 0.00 56.01 54.78 1n3k n LEU 60 Cb 0.47 -0.00 0.19 0.00 -0.00 0.00 0.00 43.42 44.08 1n3k n LEU 60 CO 0.58 0.31 1.26 0.77 -0.00 0.00 0.00 177.39 180.32 1n3k h SER 61 N 0.00 1.02 -0.27 1.45 4.64 -1.92 0.69 113.55 119.16 1n3k h SER 61 Ca 0.00 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 1n3k h SER 61 Cb 0.69 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1n3k h SER 61 CO 0.00 0.64 -0.27 0.22 -0.87 0.00 0.00 176.83 176.55 1n3k h TYR 62 N 1.15 0.80 -0.06 4.77 3.20 -1.87 -2.36 116.97 122.61 1n3k h TYR 62 Ca 0.44 -0.24 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1n3k h TYR 62 Cb 0.20 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1n3k h TYR 62 CO -0.00 0.98 -0.16 -0.84 -1.64 0.00 0.00 178.16 176.49 1n3k h ILE 63 N 0.40 1.43 -0.62 1.81 3.07 -1.73 -2.53 117.51 119.35 1n3k h ILE 63 Ca 0.04 -1.53 0.18 0.00 1.55 0.00 0.00 64.86 65.10 1n3k h ILE 63 Cb 0.84 2.29 -0.02 0.00 -0.27 0.00 0.00 36.82 39.65 1n3k h ILE 63 CO 0.07 0.43 0.47 -0.08 -1.05 0.00 0.00 178.15 177.99 1n3k h GLU 64 N -0.30 0.00 -0.26 0.16 4.81 0.32 0.64 114.58 119.94 1n3k h GLU 64 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1n3k h GLU 64 Cb 0.77 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1n3k h GLU 64 CO 0.03 0.00 -0.26 1.25 -0.73 0.00 0.00 179.01 179.31 1n3k h HIS 65 N 0.00 0.77 -0.03 0.92 2.76 -1.17 0.37 115.15 118.76 1n3k h HIS 65 Ca 0.30 -0.23 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1n3k h HIS 65 Cb 1.24 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 1n3k h HIS 65 CO 0.00 0.95 -0.01 0.82 -1.30 0.00 0.00 177.93 178.39 1n3k h ILE 66 N 0.36 0.95 -0.12 6.26 1.08 0.60 0.92 117.51 127.57 1n3k h ILE 66 Ca 0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1n3k h ILE 66 Cb 0.82 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1n3k h ILE 66 CO 0.06 0.00 -0.05 -0.26 -0.69 0.00 0.00 178.15 177.21 1n3k h PHE 67 N -0.01 0.17 0.03 1.37 0.04 -0.89 0.40 116.94 118.04 1n3k h PHE 67 Ca 0.02 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1n3k h PHE 67 Cb 0.04 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1n3k h PHE 67 CO -0.11 0.23 -0.01 1.49 -0.60 0.00 0.00 178.31 179.31 1n3k h GLU 68 N 0.17 -0.04 0.00 1.51 4.81 0.39 -3.23 114.58 118.19 1n3k h GLU 68 Ca 0.04 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1n3k h GLU 68 Cb 0.20 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1n3k h GLU 68 CO 0.01 0.63 -0.21 -0.84 -0.73 0.00 0.00 179.01 177.87 1n3k h ILE 69 N -0.77 1.06 -3.98 2.32 3.07 0.10 -3.42 117.51 115.90 1n3k h ILE 69 Ca -0.00 -0.73 -0.46 0.00 1.55 0.00 0.00 64.86 65.22 1n3k h ILE 69 Cb 0.68 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.63 1n3k h ILE 69 CO 0.01 0.20 0.36 -0.55 -1.05 0.00 0.00 178.15 177.12 1n3k s SER 70 N -6.84 7.03 -0.79 2.16 0.15 0.14 -4.94 113.70 110.60 1n3k s SER 70 Ca -0.04 1.82 -0.07 0.00 0.70 0.00 0.00 55.95 58.37 1n3k s SER 70 Cb 0.15 -2.56 -0.11 0.00 -1.71 0.00 0.00 66.02 61.78 1n3k s SER 70 CO 0.68 -0.29 3.13 0.54 1.20 0.00 0.00 173.24 178.50 1n3k n ARG 71 N -0.09 2.97 -3.17 5.44 5.12 -1.26 -4.54 116.66 121.12 1n3k n ARG 71 Ca 0.05 -1.90 -0.21 0.00 -1.93 0.00 0.00 57.85 53.86 1n3k n ARG 71 Cb 0.52 -2.37 -0.06 0.00 -1.16 0.00 0.00 32.46 29.38 1n3k n ARG 71 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1n3k n ARG 72 N 2.56 0.45 0.10 5.56 3.00 -1.26 -4.98 116.66 122.09 1n3k n ARG 72 Ca 0.59 -2.87 0.08 0.00 -0.00 0.00 0.00 57.85 55.65 1n3k n ARG 72 Cb 0.55 -1.49 0.40 0.00 0.00 0.00 0.00 32.46 31.92 1n3k n ARG 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1n3k n PRO 73 N 2.33 0.10 -0.20 -0.14 -0.04 -1.26 -2.66 135.00 133.13 1n3k n PRO 73 Ca 0.23 0.54 -0.09 0.00 -0.04 0.00 0.00 63.50 64.15 1n3k n PRO 73 Cb 0.52 -1.79 0.02 0.00 -0.04 0.00 0.00 33.50 32.21 1n3k n PRO 73 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1n3k h ASP 74 N 0.00 0.86 -0.12 3.54 3.32 -1.93 0.37 116.42 122.46 1n3k h ASP 74 Ca 0.00 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.70 1n3k h ASP 74 Cb 0.08 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1n3k h ASP 74 CO 0.00 0.88 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.99 1n3k h LEU 75 N 0.80 0.51 -0.87 1.55 4.07 -1.88 -2.95 115.31 116.54 1n3k h LEU 75 Ca 0.17 -0.60 0.07 0.00 0.08 0.00 0.00 57.88 57.61 1n3k h LEU 75 Cb 0.37 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 41.90 1n3k h LEU 75 CO 0.01 1.02 0.54 0.25 -1.08 0.00 0.00 178.44 179.17 1n3k h LEU 76 N 0.03 0.83 -0.63 1.67 5.85 -1.56 -1.55 115.31 119.95 1n3k h LEU 76 Ca -0.01 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1n3k h LEU 76 Cb 0.96 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 1n3k h LEU 76 CO 0.07 0.51 0.33 0.74 -0.34 0.00 0.00 178.44 179.75 1n3k h THR 77 N 0.95 0.93 -0.76 1.05 2.02 -0.19 1.11 112.91 118.02 1n3k h THR 77 Ca 0.39 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 1n3k h THR 77 Cb 0.23 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1n3k h THR 77 CO -0.19 0.11 0.26 0.24 0.37 0.00 0.00 175.52 176.31 1n3k h MET 78 N 0.60 1.16 -0.24 6.66 2.86 -1.13 1.34 114.93 126.17 1n3k h MET 78 Ca 0.29 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1n3k h MET 78 Cb 0.22 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1n3k h MET 78 CO -0.20 0.97 -0.15 0.28 1.06 0.00 0.00 176.91 178.87 1n3k h VAL 79 N 1.11 1.31 0.16 -2.22 2.07 -0.61 0.14 116.25 118.21 1n3k h VAL 79 Ca 0.25 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1n3k h VAL 79 Cb 0.27 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1n3k h VAL 79 CO -0.01 0.39 -0.08 0.58 0.02 0.00 0.00 177.57 178.47 1n3k h VAL 80 N 0.25 0.95 -0.75 2.57 2.07 0.16 -1.19 116.25 120.30 1n3k h VAL 80 Ca 0.05 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1n3k h VAL 80 Cb 0.67 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1n3k h VAL 80 CO 0.04 0.14 0.39 0.44 0.02 0.00 0.00 177.57 178.60 1n3k h ASP 81 N -0.52 0.95 -0.58 0.57 3.32 0.17 -2.30 116.42 118.04 1n3k h ASP 81 Ca -0.02 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1n3k h ASP 81 Cb 0.40 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1n3k h ASP 81 CO 0.04 0.79 0.24 0.22 -1.72 0.00 0.00 179.24 178.80 1n3k h TYR 82 N 1.06 0.89 -0.55 4.55 5.03 -0.66 -0.30 116.97 126.99 1n3k h TYR 82 Ca 0.26 -0.07 0.11 0.00 2.58 0.00 0.00 58.73 61.62 1n3k h TYR 82 Cb 0.07 -0.27 -0.10 0.00 1.55 0.00 0.00 36.73 37.98 1n3k h TYR 82 CO 0.01 0.71 -0.09 -0.09 -1.32 0.00 0.00 178.16 177.38 1n3k h ARG 83 N 0.81 0.03 -0.17 1.82 1.12 -0.62 0.38 114.38 117.75 1n3k h ARG 83 Ca 0.20 -0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.90 1n3k h ARG 83 Cb 0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 1n3k h ARG 83 CO -0.02 0.02 -0.54 1.15 -3.11 0.00 0.00 179.97 177.47 1n3k h THR 84 N 0.04 1.32 -0.21 0.20 2.02 -1.39 -1.33 112.91 113.55 1n3k h THR 84 Ca 0.27 -1.78 -0.02 0.00 0.77 0.00 0.00 66.41 65.65 1n3k h THR 84 Cb 0.42 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1n3k h THR 84 CO -0.53 0.56 0.05 0.08 0.37 0.00 0.00 175.52 176.05 1n3k h ARG 85 N 0.36 0.34 0.00 6.66 0.11 -0.13 0.19 114.38 121.91 1n3k h ARG 85 Ca -0.02 -0.08 -0.12 0.00 0.10 0.00 0.00 59.98 59.86 1n3k h ARG 85 Cb 1.16 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.18 1n3k h ARG 85 CO 0.12 0.46 -0.57 0.28 0.10 0.00 0.00 179.97 180.36 1n3k h VAL 86 N 0.16 1.29 -0.49 0.08 2.07 -0.38 -2.23 116.25 116.75 1n3k h VAL 86 Ca 0.07 -2.02 -0.05 0.00 0.82 0.00 0.00 66.70 65.51 1n3k h VAL 86 Cb 0.27 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1n3k h VAL 86 CO 0.00 0.56 0.09 0.25 0.02 0.00 0.00 177.57 178.49 1n3k h LEU 87 N 0.00 0.71 -1.05 2.57 7.12 -0.90 1.25 115.31 125.01 1n3k h LEU 87 Ca -0.01 -0.13 -0.10 0.00 0.13 0.00 0.00 57.88 57.78 1n3k h LEU 87 Cb 1.08 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 1n3k h LEU 87 CO 0.07 0.72 -0.46 0.50 -0.13 0.00 0.00 178.44 179.14 1n3k h LYS 88 N 0.73 0.00 0.00 1.25 1.63 -0.06 -3.07 116.57 117.05 1n3k h LYS 88 Ca 0.16 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1n3k h LYS 88 Cb 0.31 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1n3k h LYS 88 CO 0.00 0.46 -0.15 0.82 -3.45 0.00 0.00 179.45 177.14 1n3k h ILE 89 N 0.00 0.59 -0.52 2.00 2.04 -0.68 -3.37 117.51 117.57 1n3k h ILE 89 Ca -0.00 -1.47 -0.72 0.00 1.00 0.00 0.00 64.86 63.67 1n3k h ILE 89 Cb 0.84 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 1n3k h ILE 89 CO 0.06 0.20 2.96 -1.20 0.00 0.00 0.00 178.15 180.17 1n3k n SER 90 N -4.69 6.22 -4.56 1.72 7.64 0.42 -4.89 113.62 115.48 1n3k n SER 90 Ca -0.06 -2.88 -0.26 0.00 1.01 0.00 0.00 58.87 56.67 1n3k n SER 90 Cb 0.22 -1.54 -0.05 0.00 -1.01 0.00 0.00 64.21 61.83 1n3k n SER 90 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1n3k s GLU 91 N 1.50 2.50 0.27 1.43 2.02 -1.16 -4.71 118.70 120.55 1n3k s GLU 91 Ca 0.53 -0.42 -0.28 0.00 0.02 0.00 0.00 54.97 54.82 1n3k s GLU 91 Cb 0.15 -5.08 -0.09 0.00 0.10 0.00 0.00 34.13 29.20 1n3k s GLU 91 CO -0.06 -3.53 0.93 -1.21 0.02 0.00 0.00 175.26 171.41 1n3k s GLU 92 N 6.99 4.72 0.00 1.61 0.41 -1.26 -5.03 118.70 126.14 1n3k s GLU 92 Ca 0.71 1.40 0.00 0.00 -0.41 0.00 0.00 54.97 56.66 1n3k s GLU 92 Cb -0.06 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 1n3k s GLU 92 CO 0.02 0.42 0.00 -0.25 -0.49 0.00 0.00 175.26 174.96 1n3k n ASP 93 N 1.10 0.00 -1.08 -0.19 8.00 -1.26 -4.80 116.55 118.31 1n3k n ASP 93 Ca -0.01 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.60 1n3k n ASP 93 Cb 0.48 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.79 1n3k n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3k n GLU 94 N -1.07 2.44 0.06 -1.24 1.02 -1.26 -4.36 120.64 116.23 1n3k n GLU 94 Ca 0.00 -2.24 -0.05 0.00 -0.02 0.00 0.00 57.16 54.85 1n3k n GLU 94 Cb 0.00 -1.48 0.15 0.00 -0.02 0.00 0.00 31.44 30.09 1n3k n GLU 94 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1n3k h LEU 95 N 4.07 0.35 -0.26 -4.62 6.46 -1.99 -2.62 115.31 116.70 1n3k h LEU 95 Ca 0.00 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1n3k h LEU 95 Cb 0.93 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 1n3k h LEU 95 CO 0.00 0.79 0.00 -0.90 -0.62 0.00 0.00 178.44 177.71 1n3k n ASP 96 N -3.97 0.38 -4.78 1.25 5.75 -1.26 -4.89 116.55 109.04 1n3k n ASP 96 Ca -0.02 -1.99 -0.36 0.00 -0.01 0.00 0.00 54.79 52.41 1n3k n ASP 96 Cb 0.55 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.57 1n3k n ASP 96 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1n3k s THR 97 N -1.91 3.44 -2.04 2.12 -4.23 -0.99 -4.92 115.64 107.12 1n3k s THR 97 Ca 0.05 1.00 0.32 0.00 -1.18 0.00 0.00 61.69 61.87 1n3k s THR 97 Cb 0.03 -3.46 0.88 0.00 1.34 0.00 0.00 72.50 71.29 1n3k s THR 97 CO 0.04 -0.10 2.19 0.29 -0.54 0.00 0.00 174.62 176.50 1n3k n LYS 98 N -0.69 1.05 -2.70 3.99 4.76 -1.26 -4.83 118.16 118.48 1n3k n LYS 98 Ca 0.08 -0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 1n3k n LYS 98 Cb 0.50 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.16 1n3k n LYS 98 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n3k s LEU 99 N -2.00 4.46 0.00 -0.35 2.01 -1.26 -5.01 118.68 116.53 1n3k s LEU 99 Ca 0.47 1.78 0.00 0.00 0.01 0.00 0.00 54.13 56.39 1n3k s LEU 99 Cb 0.22 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.83 1n3k s LEU 99 CO 0.37 -0.14 0.00 0.35 1.01 0.00 0.00 176.35 177.94 1n3k n THR 100 N 3.11 0.00 -2.32 5.49 -2.24 -1.26 -4.80 114.28 112.25 1n3k n THR 100 Ca 0.04 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1n3k n THR 100 Cb 0.49 -0.47 0.01 0.00 -2.10 0.00 0.00 70.33 68.26 1n3k n THR 100 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n3k n ARG 101 N -0.08 4.76 -3.42 -0.78 3.00 -1.26 -4.90 116.66 113.99 1n3k n ARG 101 Ca 0.00 -3.95 -0.44 0.00 -0.01 0.00 0.00 57.85 53.45 1n3k n ARG 101 Cb 0.00 -2.60 -0.03 0.00 0.00 0.00 0.00 32.46 29.83 1n3k n ARG 101 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1n3k s ILE 102 N -2.16 5.29 0.56 0.55 1.09 -1.26 -4.89 121.20 120.37 1n3k s ILE 102 Ca 0.46 -2.89 0.41 0.00 -1.10 0.00 0.00 60.65 57.53 1n3k s ILE 102 Cb 0.17 -4.26 0.42 0.00 -1.06 0.00 0.00 42.46 37.73 1n3k s ILE 102 CO -0.08 -1.04 2.29 1.55 -0.10 0.00 0.00 174.94 177.56 1n3k h PRO 103 N 7.26 0.00 -0.00 2.79 0.13 -1.90 1.14 132.00 141.42 1n3k h PRO 103 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1n3k h PRO 103 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1n3k h PRO 103 CO 0.81 0.01 -0.02 0.43 -0.23 0.00 0.00 178.00 179.00 1n3k n SER 104 N -3.19 0.06 0.12 1.44 7.64 -1.26 -4.52 113.62 113.91 1n3k n SER 104 Ca -0.02 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1n3k n SER 104 Cb 0.12 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1n3k n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n3k n ALA 105 N -1.28 3.00 -2.12 -0.43 0.00 -0.41 -5.08 120.51 114.19 1n3k n ALA 105 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 1n3k n ALA 105 Cb 0.26 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 1n3k n ALA 105 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n3k s LYS 106 N -1.83 4.60 -0.10 0.00 1.02 0.38 -5.05 119.74 118.77 1n3k s LYS 106 Ca 0.00 1.21 -0.08 0.00 0.02 0.00 0.00 55.97 57.12 1n3k s LYS 106 Cb 0.00 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1n3k s LYS 106 CO 0.00 0.43 0.18 0.15 -0.92 0.00 0.00 175.35 175.19 1n3k s LYS 107 N -0.67 3.51 0.67 1.68 1.02 -1.26 -3.38 119.74 121.31 1n3k s LYS 107 Ca 0.39 -0.05 -0.17 0.00 0.02 0.00 0.00 55.97 56.16 1n3k s LYS 107 Cb -0.23 -3.19 -0.06 0.00 -0.52 0.00 0.00 37.83 33.84 1n3k s LYS 107 CO 0.26 0.76 0.53 2.48 -0.92 0.00 0.00 175.35 178.46 1n3k n TYR 108 N 1.91 -0.76 -0.40 3.18 4.11 -1.26 -4.92 117.16 119.02 1n3k n TYR 108 Ca -0.19 0.38 0.10 0.00 -0.00 0.00 0.00 57.90 58.19 1n3k n TYR 108 Cb 0.54 -1.93 0.30 0.00 -0.00 0.00 0.00 39.34 38.25 1n3k n TYR 108 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1n3k n LYS 109 N -0.46 2.97 0.21 -3.48 5.02 -1.26 -4.38 118.16 116.78 1n3k n LYS 109 Ca 0.11 -2.61 0.18 0.00 -2.02 0.00 0.00 58.31 53.97 1n3k n LYS 109 Cb 0.49 -1.59 0.84 0.00 -0.02 0.00 0.00 35.03 34.75 1n3k n LYS 109 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1n3k h ASP 110 N 3.78 0.00 -4.16 4.39 3.32 -2.06 -3.41 116.42 118.29 1n3k h ASP 110 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1n3k h ASP 110 Cb 1.05 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.63 1n3k h ASP 110 CO 0.05 0.00 0.34 -0.63 -1.72 0.00 0.00 179.24 177.29 1n3k s ILE 111 N -4.50 4.65 -0.36 0.35 1.01 -1.26 -5.01 121.20 116.07 1n3k s ILE 111 Ca -0.04 0.96 -0.22 0.00 0.00 0.00 0.00 60.65 61.34 1n3k s ILE 111 Cb 0.14 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.83 1n3k s ILE 111 CO 0.49 -0.85 0.74 -0.63 0.00 0.00 0.00 174.94 174.69 1n3k s ILE 112 N -2.81 4.78 -0.21 2.92 -1.09 -1.26 -5.03 121.20 118.50 1n3k s ILE 112 Ca 0.56 0.80 -0.20 0.00 -2.23 0.00 0.00 60.65 59.58 1n3k s ILE 112 Cb -0.10 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1n3k s ILE 112 CO 0.41 -0.40 0.59 -0.60 -1.23 0.00 0.00 174.94 173.71 1n3k s ARG 113 N 2.98 4.19 0.04 2.79 6.06 -1.26 -5.05 118.95 128.70 1n3k s ARG 113 Ca 0.29 0.54 -0.25 0.00 -2.50 0.00 0.00 55.73 53.81 1n3k s ARG 113 Cb -0.14 -3.59 -0.05 0.00 0.06 0.00 0.00 34.95 31.23 1n3k s ARG 113 CO 0.16 -0.24 0.77 -0.65 -2.50 0.00 0.00 175.30 172.84 1n3k s GLN 114 N 1.93 4.50 0.00 5.12 1.11 -1.26 -4.96 119.66 126.10 1n3k s GLN 114 Ca 0.27 1.08 0.27 0.00 0.01 0.00 0.00 55.36 56.99 1n3k s GLN 114 Cb -0.16 -3.37 1.32 0.00 -1.01 0.00 0.00 33.01 29.80 1n3k s GLN 114 CO 0.10 0.27 1.89 -0.35 0.01 0.00 0.00 175.29 177.21 1n3k n PRO 115 N 2.83 1.36 -2.32 2.91 -0.04 -1.26 -4.76 135.00 133.72 1n3k n PRO 115 Ca -0.02 -0.52 -0.34 0.00 -0.04 0.00 0.00 63.50 62.57 1n3k n PRO 115 Cb 0.50 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1n3k n PRO 115 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1n3k s SER 116 N -1.89 5.87 -1.17 3.54 0.01 -1.26 -4.89 113.70 113.91 1n3k s SER 116 Ca 0.40 -1.13 -0.21 0.00 1.31 0.00 0.00 55.95 56.31 1n3k s SER 116 Cb 0.20 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.89 1n3k s SER 116 CO 0.32 -2.08 1.73 -1.83 0.41 0.00 0.00 173.24 171.79 1n3k s GLU 117 N 5.90 3.47 0.37 12.44 -1.05 -1.26 -4.77 118.70 133.79 1n3k s GLU 117 Ca 0.57 -1.47 0.27 0.00 -0.15 0.00 0.00 54.97 54.20 1n3k s GLU 117 Cb -0.03 -5.39 1.21 0.00 -0.44 0.00 0.00 34.13 29.48 1n3k s GLU 117 CO -0.05 -2.69 1.81 0.93 0.95 0.00 0.00 175.26 176.21 1n3k h GLU 118 N 8.87 0.00 0.22 -4.83 5.08 -1.97 -2.18 114.58 119.76 1n3k h GLU 118 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1n3k h GLU 118 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1n3k h GLU 118 CO 1.38 0.00 -0.10 1.49 -1.00 0.00 0.00 179.01 180.78 1n3k h GLU 119 N 0.00 -0.28 -0.96 2.33 4.81 -2.02 -3.29 114.58 115.17 1n3k h GLU 119 Ca 0.00 0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.90 1n3k h GLU 119 Cb 0.31 0.06 -0.21 0.00 0.63 0.00 0.00 28.75 29.55 1n3k h GLU 119 CO 0.00 0.03 0.44 0.44 -0.73 0.00 0.00 179.01 179.20 1n3k n ILE 120 N -4.96 2.62 0.59 2.32 -5.35 -1.22 -4.40 119.36 108.96 1n3k n ILE 120 Ca -0.06 -1.42 0.13 0.00 -0.27 0.00 0.00 62.75 61.12 1n3k n ILE 120 Cb 0.22 -0.56 0.43 0.00 -1.74 0.00 0.00 39.64 37.99 1n3k n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1n3k n ILE 121 N -0.61 0.62 0.75 7.28 0.13 -0.82 -3.26 119.36 123.46 1n3k n ILE 121 Ca 0.43 -0.17 0.13 0.00 -1.10 0.00 0.00 62.75 62.04 1n3k n ILE 121 Cb 1.35 -0.70 0.45 0.00 -0.84 0.00 0.00 39.64 39.90 1n3k n ILE 121 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 1n3k n LYS 122 N -2.23 0.17 -0.08 9.51 2.85 -1.26 -3.93 118.16 123.19 1n3k n LYS 122 Ca 0.05 0.13 -0.20 0.00 -1.05 0.00 0.00 58.31 57.24 1n3k n LYS 122 Cb 0.39 -1.69 -0.12 0.00 -0.65 0.00 0.00 35.03 32.96 1n3k n LYS 122 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1n3k h LEU 123 N 0.00 0.04-10.33 -5.58 -0.00 -1.91 -3.48 115.31 94.05 1n3k h LEU 123 Ca 0.00 -0.67 -0.51 0.00 -0.00 0.00 0.00 57.88 56.70 1n3k h LEU 123 Cb 0.65 -0.01 0.06 0.00 -0.00 0.00 0.00 40.66 41.37 1n3k h LEU 123 CO 0.00 1.37 0.40 0.00 -0.00 0.00 0.00 178.44 180.22 1n3k s ALA 124 N -2.34 2.98 -1.04 1.53 0.00 -1.25 -5.02 121.76 116.62 1n3k s ALA 124 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 1n3k s ALA 124 Cb 0.03 -3.11 0.29 0.00 0.00 0.00 0.00 23.12 20.33 1n3k s ALA 124 CO 0.63 -0.78 1.30 -0.35 0.00 0.00 0.00 175.76 176.56 1n3k n PRO 125 N -2.70 4.00 -1.47 0.00 -0.04 -1.26 -4.95 135.00 128.58 1n3k n PRO 125 Ca 0.07 -4.54 -0.29 0.00 -0.04 0.00 0.00 63.50 58.69 1n3k n PRO 125 Cb 0.54 -2.49 0.13 0.00 -0.04 0.00 0.00 33.50 31.64 1n3k n PRO 125 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1n3k s PRO 126 N -2.36 1.19 0.97 0.54 0.04 -1.26 -5.01 135.00 129.12 1n3k s PRO 126 Ca 0.32 0.41 -0.14 0.00 0.04 0.00 0.00 61.00 61.62 1n3k s PRO 126 Cb 0.02 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.74 1n3k s PRO 126 CO 0.04 -2.19 0.19 -0.35 0.04 0.00 0.00 177.00 174.73 1n3k n PRO 127 N -3.78 -0.37 -2.67 0.56 -0.04 -1.26 -4.93 135.00 122.51 1n3k n PRO 127 Ca 0.06 -0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.05 1n3k n PRO 127 Cb 0.58 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 1n3k n PRO 127 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1n3k s LYS 128 N -3.39 4.74 0.20 0.54 2.20 -1.26 -5.01 119.74 117.76 1n3k s LYS 128 Ca 0.54 1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 57.42 1n3k s LYS 128 Cb -0.19 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 32.86 1n3k s LYS 128 CO 0.69 0.38 1.29 0.21 -0.36 0.00 0.00 175.35 177.57 1n3k s LYS 129 N -1.39 4.41 0.00 4.03 2.20 -1.26 -5.34 119.74 122.38 1n3k s LYS 129 Ca 0.44 2.02 0.31 0.00 -0.36 0.00 0.00 55.97 58.38 1n3k s LYS 129 Cb -0.27 -3.20 1.87 0.00 -1.51 0.00 0.00 37.83 34.72 1n3k s LYS 129 CO 0.34 -0.22 2.19 0.00 -0.36 0.00 0.00 175.35 177.30