#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd1 s GLU 2 N 0.00 0.31 0.15 3.17 -1.05 -1.26 -5.14 118.70 114.89 2kd1 s GLU 2 Ca 0.00 -0.77 -0.30 0.00 -0.15 0.00 0.00 54.97 53.75 2kd1 s GLU 2 Cb 0.00 -1.23 -0.08 0.00 -0.44 0.00 0.00 34.13 32.38 2kd1 s GLU 2 CO 0.00 -1.07 1.28 -1.25 0.95 0.00 0.00 175.26 175.17 2kd1 s PRO 3 N 1.80 4.41 0.20 -4.83 0.04 -1.26 -4.95 135.00 130.41 2kd1 s PRO 3 Ca 0.12 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 2kd1 s PRO 3 Cb -0.18 -3.24 0.14 0.00 0.04 0.00 0.00 34.50 31.26 2kd1 s PRO 3 CO -0.26 -0.25 1.85 1.03 0.04 0.00 0.00 177.00 179.41 2kd1 h SER 4 N 5.87 0.87 -1.45 6.66 0.87 -2.02 -3.46 113.55 120.89 2kd1 h SER 4 Ca -0.44 -0.05 -0.41 0.00 -1.23 0.00 0.00 61.79 59.66 2kd1 h SER 4 Cb 1.21 -0.22 -0.13 0.00 -0.44 0.00 0.00 62.40 62.82 2kd1 h SER 4 CO 0.79 0.66 -0.40 0.29 -0.53 0.00 0.00 176.83 177.64 2kd1 n LYS 5 N -4.53 -1.50 -1.78 2.24 4.76 -1.26 -4.88 118.16 111.20 2kd1 n LYS 5 Ca 0.07 1.14 -0.42 0.00 -2.87 0.00 0.00 58.31 56.23 2kd1 n LYS 5 Cb 0.04 -5.57 -0.03 0.00 -1.84 0.00 0.00 35.03 27.63 2kd1 n LYS 5 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2kd1 s LEU 6 N -4.92 4.40 0.48 -0.35 2.96 -1.26 -4.86 118.68 115.12 2kd1 s LEU 6 Ca 0.00 2.54 -0.19 0.00 -0.22 0.00 0.00 54.13 56.26 2kd1 s LEU 6 Cb 0.00 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.07 2kd1 s LEU 6 CO 0.00 -1.01 0.99 -0.55 -1.32 0.00 0.00 176.35 174.46 2kd1 s SER 7 N 3.94 6.63 0.34 3.68 0.15 -1.26 -1.70 113.70 125.47 2kd1 s SER 7 Ca 0.83 1.73 0.05 0.00 0.70 0.00 0.00 55.95 59.26 2kd1 s SER 7 Cb -0.40 -2.54 0.61 0.00 -1.71 0.00 0.00 66.02 61.99 2kd1 s SER 7 CO 0.37 -0.58 1.87 0.22 1.20 0.00 0.00 173.24 176.32 2kd1 h TYR 8 N 1.47 0.49 -0.12 3.44 3.20 -1.59 -0.94 116.97 122.93 2kd1 h TYR 8 Ca -0.48 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.25 2kd1 h TYR 8 Cb 1.19 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2kd1 h TYR 8 CO 0.61 0.52 -0.27 0.78 -1.64 0.00 0.00 178.16 178.17 2kd1 h GLY 9 N 0.84 0.24 1.62 1.82 0.00 -1.41 -0.34 103.07 105.84 2kd1 h GLY 9 Ca 0.09 -0.18 -0.27 0.00 0.00 0.00 0.00 47.33 46.97 2kd1 h GLY 9 CO 0.02 0.17 -1.20 0.83 0.00 0.00 0.00 176.54 176.35 2kd1 h GLU 10 N 0.20 0.29 -0.56 4.80 4.39 -1.71 -3.34 114.58 118.66 2kd1 h GLU 10 Ca 0.03 -0.47 -0.06 0.00 0.34 0.00 0.00 59.36 59.20 2kd1 h GLU 10 Cb 0.58 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 2kd1 h GLU 10 CO 0.04 1.21 0.11 -0.92 -1.16 0.00 0.00 179.01 178.29 2kd1 h TYR 11 N 0.09 0.96 -0.34 4.33 3.20 -0.74 -3.01 116.97 121.47 2kd1 h TYR 11 Ca -0.13 -0.13 0.10 0.00 3.14 0.00 0.00 58.73 61.72 2kd1 h TYR 11 Cb 1.92 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.91 2kd1 h TYR 11 CO 0.06 0.84 0.25 -0.07 -1.64 0.00 0.00 178.16 177.61 2kd1 h LEU 12 N 0.81 0.00 -0.07 2.82 3.38 -1.18 -0.06 115.31 121.01 2kd1 h LEU 12 Ca 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2kd1 h LEU 12 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2kd1 h LEU 12 CO 0.01 0.00 -0.42 -0.33 0.09 0.00 0.00 178.44 177.79 2kd1 h GLU 13 N 0.00 0.40 -0.23 1.13 4.39 -1.67 -0.66 114.58 117.94 2kd1 h GLU 13 Ca 0.16 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 2kd1 h GLU 13 Cb 0.66 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2kd1 h GLU 13 CO -0.00 0.99 -0.00 0.77 -1.16 0.00 0.00 179.01 179.60 2kd1 h SER 14 N -0.07 0.41 -0.75 1.42 0.02 -1.30 -1.65 113.55 111.62 2kd1 h SER 14 Ca -0.03 -0.31 0.06 0.00 -0.84 0.00 0.00 61.79 60.66 2kd1 h SER 14 Cb 1.08 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 2kd1 h SER 14 CO 0.09 0.62 0.44 -0.25 -1.14 0.00 0.00 176.83 176.59 2kd1 h TRP 15 N 0.18 0.81 -0.24 3.45 7.01 -1.14 -2.87 115.95 123.16 2kd1 h TRP 15 Ca 0.07 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.11 2kd1 h TRP 15 Cb 0.41 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 2kd1 h TRP 15 CO 0.04 0.40 0.11 0.35 -2.79 0.00 0.00 178.44 176.55 2kd1 h PHE 16 N 0.81 0.21 -0.31 2.65 3.57 -0.79 -0.56 116.94 122.51 2kd1 h PHE 16 Ca 0.33 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.90 2kd1 h PHE 16 Cb 0.18 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2kd1 h PHE 16 CO -0.06 0.11 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.22 2kd1 h ASN 17 N 0.24 -0.14 1.12 0.41 2.35 -1.09 -0.58 115.58 117.89 2kd1 h ASN 17 Ca 0.10 0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 2kd1 h ASN 17 Cb 0.03 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2kd1 h ASN 17 CO -0.07 -0.03 -0.29 0.00 -1.65 0.00 0.00 177.43 175.39 2kd1 h THR 18 N 0.08 0.61 -0.05 2.81 1.03 -1.43 -3.10 112.91 112.86 2kd1 h THR 18 Ca 0.15 -1.40 -0.19 0.00 -0.01 0.00 0.00 66.41 64.96 2kd1 h THR 18 Cb 0.21 1.95 -0.01 0.00 -1.07 0.00 0.00 68.15 69.23 2kd1 h THR 18 CO -0.26 0.28 -0.79 0.50 -0.01 0.00 0.00 175.52 175.25 2kd1 h LYS 19 N 0.00 0.36 -0.96 0.00 1.63 -0.24 -3.22 116.57 114.13 2kd1 h LYS 19 Ca -0.00 -0.32 0.13 0.00 -0.85 0.00 0.00 60.65 59.60 2kd1 h LYS 19 Cb 0.92 0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 32.55 2kd1 h LYS 19 CO 0.04 0.98 0.61 0.00 -3.45 0.00 0.00 179.45 177.63 2kd1 h ARG 20 N 0.23 0.88 0.00 1.90 3.08 -1.06 -1.55 114.38 117.86 2kd1 h ARG 20 Ca -0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2kd1 h ARG 20 Cb 1.38 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 2kd1 h ARG 20 CO 0.13 0.58 -0.05 0.45 -1.07 0.00 0.00 179.97 180.01 2kd1 h HIS 21 N 0.90 0.00 0.03 3.04 3.86 -1.66 -2.94 115.15 118.37 2kd1 h HIS 21 Ca 0.48 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.34 2kd1 h HIS 21 Cb 0.55 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 2kd1 h HIS 21 CO -0.00 0.05 -2.08 0.43 0.86 0.00 0.00 177.93 177.18 2kd1 n SER 22 N -3.34 1.08 -4.90 2.45 7.64 -0.65 -5.02 113.62 110.88 2kd1 n SER 22 Ca -0.02 0.17 -0.20 0.00 1.01 0.00 0.00 58.87 59.83 2kd1 n SER 22 Cb 0.20 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 2kd1 n SER 22 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2kd1 s VAL 23 N -2.55 2.96 0.85 0.44 -7.23 -0.83 -5.12 120.40 108.93 2kd1 s VAL 23 Ca -0.15 -1.27 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 2kd1 s VAL 23 Cb 0.07 -3.06 0.10 0.00 0.56 0.00 0.00 36.38 34.06 2kd1 s VAL 23 CO 0.78 -0.04 1.09 -0.83 -0.31 0.00 0.00 175.10 175.79 2kd1 s GLY 24 N -4.14 1.64 0.09 2.32 0.00 -1.26 -4.81 107.32 101.16 2kd1 s GLY 24 Ca 0.48 0.11 -0.22 0.00 0.00 0.00 0.00 44.72 45.09 2kd1 s GLY 24 CO 0.29 0.54 1.72 -2.22 0.00 0.00 0.00 173.10 173.43 2kd1 h ILE 25 N -1.43 1.03 0.00 0.90 1.08 -2.00 -1.08 117.51 116.02 2kd1 h ILE 25 Ca -0.47 -0.08 -0.12 0.00 -0.39 0.00 0.00 64.86 63.80 2kd1 h ILE 25 Cb 1.26 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 36.00 2kd1 h ILE 25 CO 0.52 0.03 -0.56 0.06 -0.69 0.00 0.00 178.15 177.51 2kd1 h GLN 26 N 0.04 0.00 -0.58 2.37 3.07 -1.99 -2.98 115.11 115.04 2kd1 h GLN 26 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.72 2kd1 h GLN 26 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.55 2kd1 h GLN 26 CO -0.00 0.56 0.22 1.15 0.09 0.00 0.00 178.83 180.85 2kd1 h THR 27 N 0.00 1.23 -0.71 1.86 2.02 -1.88 -2.53 112.91 112.89 2kd1 h THR 27 Ca -0.01 -0.73 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 2kd1 h THR 27 Cb 1.33 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 2kd1 h THR 27 CO 0.07 0.28 0.17 0.00 0.37 0.00 0.00 175.52 176.41 2kd1 h ALA 28 N 1.07 0.94 -0.17 6.16 0.00 -1.16 -2.51 119.26 123.60 2kd1 h ALA 28 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2kd1 h ALA 28 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kd1 h ALA 28 CO -0.01 0.67 -0.03 -0.22 0.00 0.00 0.00 179.25 179.66 2kd1 h LYS 29 N 1.09 0.25 -0.11 0.00 3.11 -1.36 -1.01 116.57 118.53 2kd1 h LYS 29 Ca 0.22 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.96 2kd1 h LYS 29 Cb 0.38 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2kd1 h LYS 29 CO 0.00 0.30 -0.20 0.28 -2.81 0.00 0.00 179.45 177.03 2kd1 h VAL 30 N 0.24 1.38 -0.82 2.00 2.07 -1.11 -1.57 116.25 118.44 2kd1 h VAL 30 Ca 0.06 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 2kd1 h VAL 30 Cb 0.22 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2kd1 h VAL 30 CO 0.01 0.42 0.39 -0.07 0.02 0.00 0.00 177.57 178.34 2kd1 h LEU 31 N -0.11 1.09 -0.42 2.57 3.38 -1.03 -2.41 115.31 118.37 2kd1 h LEU 31 Ca 0.01 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 2kd1 h LEU 31 Cb 0.78 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2kd1 h LEU 31 CO 0.04 0.92 -0.79 0.50 0.09 0.00 0.00 178.44 179.21 2kd1 h LYS 32 N 1.17 0.09 0.00 1.13 3.64 -1.27 -2.85 116.57 118.47 2kd1 h LYS 32 Ca 0.28 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2kd1 h LYS 32 Cb 0.13 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2kd1 h LYS 32 CO -0.03 0.83 -0.02 0.78 -2.27 0.00 0.00 179.45 178.74 2kd1 h GLY 33 N 2.07 0.00 1.19 5.01 0.00 -0.80 -1.24 103.07 109.30 2kd1 h GLY 33 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.02 2kd1 h GLY 33 CO 0.11 0.00 -1.22 -0.97 0.00 0.00 0.00 176.54 174.46 2kd1 h TYR 34 N 0.00 0.99 0.72 5.60 0.05 -1.26 -3.32 116.97 119.75 2kd1 h TYR 34 Ca -0.00 -0.63 -0.04 0.00 0.05 0.00 0.00 58.73 58.12 2kd1 h TYR 34 Cb 0.04 -0.08 0.01 0.00 1.01 0.00 0.00 36.73 37.71 2kd1 h TYR 34 CO 0.00 1.47 -0.35 -0.07 -1.05 0.00 0.00 178.16 178.16 2kd1 h LEU 35 N 0.23 -0.82 -2.25 3.88 3.38 -1.09 -0.79 115.31 117.85 2kd1 h LEU 35 Ca -0.19 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2kd1 h LEU 35 Cb 1.90 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.86 2kd1 h LEU 35 CO 0.23 -0.54 -0.02 -0.55 0.09 0.00 0.00 178.44 177.65 2kd1 h ASN 36 N -1.05 0.00 0.00 -0.43 7.08 -1.52 0.40 115.58 120.05 2kd1 h ASN 36 Ca -0.10 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.86 2kd1 h ASN 36 Cb 0.74 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.94 2kd1 h ASN 36 CO 0.16 0.02 -1.55 -1.20 -2.08 0.00 0.00 177.43 172.78 2kd1 n SER 37 N -3.19 1.89 -0.11 6.14 7.64 -1.21 -4.58 113.62 120.21 2kd1 n SER 37 Ca -0.01 0.42 -0.19 0.00 1.01 0.00 0.00 58.87 60.09 2kd1 n SER 37 Cb 0.18 -0.90 -0.07 0.00 -1.01 0.00 0.00 64.21 62.42 2kd1 n SER 37 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kd1 n ARG 38 N -4.40 0.55 -0.04 1.43 5.12 -0.31 -4.60 116.66 114.41 2kd1 n ARG 38 Ca -0.35 0.31 -0.14 0.00 -1.93 0.00 0.00 57.85 55.74 2kd1 n ARG 38 Cb 0.69 -1.53 -0.08 0.00 -1.16 0.00 0.00 32.46 30.38 2kd1 n ARG 38 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2kd1 h ILE 39 N -1.00 1.39 0.15 0.55 5.03 -1.22 -3.32 117.51 119.09 2kd1 h ILE 39 Ca -0.33 -1.58 -0.00 0.00 -0.12 0.00 0.00 64.86 62.82 2kd1 h ILE 39 Cb 1.24 2.15 -0.00 0.00 -3.03 0.00 0.00 36.82 37.17 2kd1 h ILE 39 CO -0.20 0.46 -0.10 0.40 -0.68 0.00 0.00 178.15 178.03 2kd1 h ILE 40 N -0.09 0.79 -0.16 -0.67 1.08 -1.22 0.52 117.51 117.78 2kd1 h ILE 40 Ca -0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.51 2kd1 h ILE 40 Cb 0.87 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 2kd1 h ILE 40 CO 0.06 0.00 0.26 -0.65 -0.69 0.00 0.00 178.15 177.12 2kd1 h PRO 41 N -0.24 0.00 0.00 2.37 0.11 -1.81 -2.16 132.00 130.26 2kd1 h PRO 41 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2kd1 h PRO 41 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2kd1 h PRO 41 CO 0.01 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.25 2kd1 n SER 42 N -3.46 0.00 0.14 -2.05 2.88 -0.84 -4.81 113.62 105.48 2kd1 n SER 42 Ca 0.01 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.63 2kd1 n SER 42 Cb 0.36 -0.11 0.04 0.00 -0.75 0.00 0.00 64.21 63.76 2kd1 n SER 42 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kd1 h LEU 43 N 0.00 0.00 -0.19 2.46 3.38 -0.19 -3.33 115.31 117.45 2kd1 h LEU 43 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2kd1 h LEU 43 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kd1 h LEU 43 CO 0.00 0.21 -0.41 1.23 0.09 0.00 0.00 178.44 179.56 2kd1 h GLY 44 N 3.84 0.67 2.00 0.83 0.00 -0.81 -2.88 103.07 106.71 2kd1 h GLY 44 Ca -0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 2kd1 h GLY 44 CO 0.02 0.73 -0.19 3.43 0.00 0.00 0.00 176.54 180.53 2kd1 h ASN 45 N 0.28 0.00 -3.75 0.19 2.35 -1.53 -1.13 115.58 112.00 2kd1 h ASN 45 Ca 0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 2kd1 h ASN 45 Cb 1.02 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.40 2kd1 h ASN 45 CO 0.09 0.19 0.45 -0.63 -1.65 0.00 0.00 177.43 175.87 2kd1 s ILE 46 N -4.56 3.69 0.44 2.81 1.01 -1.09 -4.92 121.20 118.58 2kd1 s ILE 46 Ca -0.04 1.65 -0.24 0.00 0.00 0.00 0.00 60.65 62.02 2kd1 s ILE 46 Cb 0.15 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.50 2kd1 s ILE 46 CO 0.68 0.37 1.20 -0.54 0.00 0.00 0.00 174.94 176.66 2kd1 s LYS 47 N -1.17 3.82 0.31 2.79 -0.14 -1.26 -2.35 119.74 121.74 2kd1 s LYS 47 Ca 0.45 1.88 0.03 0.00 -1.36 0.00 0.00 55.97 56.96 2kd1 s LYS 47 Cb -0.30 -2.52 0.60 0.00 -1.68 0.00 0.00 37.83 33.93 2kd1 s LYS 47 CO 0.38 -0.53 1.90 1.25 -0.76 0.00 0.00 175.35 177.59 2kd1 h LEU 48 N 2.25 0.85 -0.90 3.17 5.85 -1.58 0.79 115.31 125.74 2kd1 h LEU 48 Ca -0.49 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.13 2kd1 h LEU 48 Cb 1.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2kd1 h LEU 48 CO 0.61 0.52 -0.55 0.00 -0.34 0.00 0.00 178.44 178.68 2kd1 h ALA 49 N 1.54 1.09 0.00 1.25 0.00 -1.92 -3.08 119.26 118.13 2kd1 h ALA 49 Ca 0.41 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kd1 h ALA 49 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kd1 h ALA 49 CO -0.17 0.69 -0.04 1.63 0.00 0.00 0.00 179.25 181.36 2kd1 n LYS 50 N -3.88 0.06 -1.80 0.00 4.76 0.20 -4.74 118.16 112.75 2kd1 n LYS 50 Ca -0.01 0.04 -0.33 0.00 -2.87 0.00 0.00 58.31 55.14 2kd1 n LYS 50 Cb 0.56 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 32.15 2kd1 n LYS 50 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kd1 s LEU 51 N -3.31 3.26 0.46 -0.35 1.02 -0.78 -4.91 118.68 114.07 2kd1 s LEU 51 Ca 0.13 0.44 -0.02 0.00 0.02 0.00 0.00 54.13 54.70 2kd1 s LEU 51 Cb 0.18 -2.53 -0.02 0.00 0.02 0.00 0.00 46.19 43.84 2kd1 s LEU 51 CO 0.56 -2.81 0.72 0.28 0.02 0.00 0.00 176.35 175.11 2kd1 s THR 52 N 11.13 4.42 0.23 5.49 -1.32 -1.26 -4.87 115.64 129.46 2kd1 s THR 52 Ca 0.82 -0.21 0.29 0.00 -1.21 0.00 0.00 61.69 61.38 2kd1 s THR 52 Cb -0.13 -3.66 0.31 0.00 -1.51 0.00 0.00 72.50 67.50 2kd1 s THR 52 CO 0.18 -0.55 1.97 0.77 -2.21 0.00 0.00 174.62 174.79 2kd1 h SER 53 N 0.32 0.00 -0.29 8.08 4.64 -1.94 -2.45 113.55 121.91 2kd1 h SER 53 Ca -0.47 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.80 2kd1 h SER 53 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2kd1 h SER 53 CO 0.60 0.12 0.04 0.25 -0.87 0.00 0.00 176.83 176.97 2kd1 h LEU 54 N 0.00 0.55 -1.44 5.97 5.85 -1.95 -2.28 115.31 122.01 2kd1 h LEU 54 Ca -0.00 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2kd1 h LEU 54 Cb 0.53 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2kd1 h LEU 54 CO 0.02 0.59 -0.03 0.45 -0.34 0.00 0.00 178.44 179.12 2kd1 h HIS 55 N 0.57 0.33 0.02 1.25 3.86 -1.84 -1.09 115.15 118.26 2kd1 h HIS 55 Ca 0.13 -0.03 -0.22 0.00 -1.16 0.00 0.00 60.37 59.09 2kd1 h HIS 55 Cb 0.30 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 2kd1 h HIS 55 CO 0.01 0.37 -0.97 0.52 0.86 0.00 0.00 177.93 178.72 2kd1 h MET 56 N 0.32 0.29 -0.11 2.45 2.86 -1.51 -0.23 114.93 119.00 2kd1 h MET 56 Ca 0.07 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 2kd1 h MET 56 Cb 0.27 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 2kd1 h MET 56 CO 0.01 1.06 0.03 0.37 1.06 0.00 0.00 176.91 179.44 2kd1 h GLN 57 N 0.15 0.18 -0.06 1.72 5.75 -1.12 -2.04 115.11 119.70 2kd1 h GLN 57 Ca -0.07 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.33 2kd1 h GLN 57 Cb 1.62 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.14 2kd1 h GLN 57 CO 0.16 0.35 -0.20 -0.91 -2.65 0.00 0.00 178.83 175.58 2kd1 h ASN 58 N -0.03 0.08 -0.25 -0.69 2.35 -1.20 -1.79 115.58 114.04 2kd1 h ASN 58 Ca 0.03 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2kd1 h ASN 58 Cb 0.26 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2kd1 h ASN 58 CO 0.00 0.29 0.08 0.22 -1.65 0.00 0.00 177.43 176.37 2kd1 h TYR 59 N 0.08 0.41 -0.25 1.19 3.20 -0.93 -2.64 116.97 118.03 2kd1 h TYR 59 Ca 0.02 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 2kd1 h TYR 59 Cb 0.40 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2kd1 h TYR 59 CO 0.00 0.46 -0.04 0.28 -1.64 0.00 0.00 178.16 177.22 2kd1 h VAL 60 N 0.24 1.18 -0.39 1.81 2.07 -0.79 -2.44 116.25 117.93 2kd1 h VAL 60 Ca 0.08 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 2kd1 h VAL 60 Cb 0.24 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2kd1 h VAL 60 CO -0.00 0.24 -0.07 0.78 0.02 0.00 0.00 177.57 178.53 2kd1 h ASN 61 N 0.37 0.64 0.55 0.57 2.35 -1.17 -1.93 115.58 116.96 2kd1 h ASN 61 Ca 0.08 -0.17 -0.15 0.00 -0.55 0.00 0.00 56.30 55.51 2kd1 h ASN 61 Cb 0.32 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2kd1 h ASN 61 CO 0.01 0.76 -0.69 0.77 -1.65 0.00 0.00 177.43 176.63 2kd1 h SER 62 N 0.61 0.14 -0.14 5.81 4.64 -1.10 -2.65 113.55 120.85 2kd1 h SER 62 Ca 0.11 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 2kd1 h SER 62 Cb 0.49 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2kd1 h SER 62 CO 0.03 0.78 -0.20 -0.07 -0.87 0.00 0.00 176.83 176.50 2kd1 h LEU 63 N 0.08 0.56 -0.63 5.97 3.38 -0.97 0.91 115.31 124.60 2kd1 h LEU 63 Ca -0.01 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 2kd1 h LEU 63 Cb 1.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2kd1 h LEU 63 CO 0.10 0.76 0.04 -0.09 0.09 0.00 0.00 178.44 179.35 2kd1 h ARG 64 N 0.50 1.08 -0.33 1.13 2.43 -1.33 -1.72 114.38 116.14 2kd1 h ARG 64 Ca 0.08 -0.32 -0.08 0.00 -0.81 0.00 0.00 59.98 58.84 2kd1 h ARG 64 Cb 0.63 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2kd1 h ARG 64 CO 0.04 1.03 -0.14 0.22 -1.51 0.00 0.00 179.97 179.61 2kd1 h ASP 65 N 0.99 0.58 0.79 -3.80 3.58 -1.04 -2.15 116.42 115.37 2kd1 h ASP 65 Ca 0.18 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 2kd1 h ASP 65 Cb 0.51 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2kd1 h ASP 65 CO 0.02 0.74 -0.22 -0.33 -2.88 0.00 0.00 179.24 176.58 2kd1 h GLU 66 N 0.54 0.00 -0.58 0.28 4.39 -0.66 -3.47 114.58 115.07 2kd1 h GLU 66 Ca 0.09 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 2kd1 h GLU 66 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2kd1 h GLU 66 CO 0.04 0.22 -0.12 0.41 -1.16 0.00 0.00 179.01 178.39 2kd1 n GLY 67 N -0.02 0.37 3.77 -3.84 0.00 -0.77 -5.02 105.19 99.68 2kd1 n GLY 67 Ca -0.00 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 2kd1 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kd1 s LEU 68 N -1.41 4.28 0.65 0.99 1.43 -0.72 -5.04 118.68 118.87 2kd1 s LEU 68 Ca 0.00 2.64 -0.10 0.00 -1.03 0.00 0.00 54.13 55.65 2kd1 s LEU 68 Cb 0.00 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.39 2kd1 s LEU 68 CO 0.00 -0.74 1.02 -1.59 0.23 0.00 0.00 176.35 175.27 2kd1 s LYS 69 N -2.10 3.00 0.49 1.70 -2.85 -1.26 -4.84 119.74 113.88 2kd1 s LYS 69 Ca 0.54 0.36 0.18 0.00 -1.00 0.00 0.00 55.97 56.06 2kd1 s LYS 69 Cb -0.38 -2.11 1.22 0.00 -2.06 0.00 0.00 37.83 34.50 2kd1 s LYS 69 CO 0.49 -0.85 2.04 0.07 0.10 0.00 0.00 175.35 177.21 2kd1 h ARG 70 N -0.44 0.15 -0.20 1.78 0.11 -1.96 -1.10 114.38 112.72 2kd1 h ARG 70 Ca -0.45 -0.01 0.04 0.00 0.10 0.00 0.00 59.98 59.66 2kd1 h ARG 70 Cb 1.24 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 32.25 2kd1 h ARG 70 CO 0.63 0.10 -0.06 0.78 0.10 0.00 0.00 179.97 181.51 2kd1 h GLY 71 N 0.15 0.13 0.47 0.08 0.00 -1.96 -0.49 103.07 101.45 2kd1 h GLY 71 Ca 0.19 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 2kd1 h GLY 71 CO -0.03 -0.09 -0.00 -0.84 0.00 0.00 0.00 176.54 175.59 2kd1 h THR 72 N -0.02 1.42 -0.71 4.70 2.02 -1.66 -3.12 112.91 115.55 2kd1 h THR 72 Ca 0.10 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 2kd1 h THR 72 Cb 0.17 2.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 2kd1 h THR 72 CO -0.22 0.32 0.37 0.40 0.37 0.00 0.00 175.52 176.77 2kd1 h ILE 73 N -0.53 1.22 0.06 3.11 2.04 -1.25 -1.95 117.51 120.22 2kd1 h ILE 73 Ca -0.00 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 2kd1 h ILE 73 Cb 0.53 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2kd1 h ILE 73 CO 0.00 0.25 -0.03 -0.08 0.00 0.00 0.00 178.15 178.29 2kd1 h GLU 74 N 0.98 -0.08 -0.44 2.37 4.81 -1.18 -2.28 114.58 118.76 2kd1 h GLU 74 Ca 0.25 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 2kd1 h GLU 74 Cb 0.07 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2kd1 h GLU 74 CO -0.04 -0.05 -0.16 0.87 -0.73 0.00 0.00 179.01 178.89 2kd1 h LYS 75 N -0.09 0.89 -0.22 1.92 1.57 -1.43 -1.61 116.57 117.61 2kd1 h LYS 75 Ca -0.01 -0.37 -0.15 0.00 -1.87 0.00 0.00 60.65 58.25 2kd1 h LYS 75 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2kd1 h LYS 75 CO 0.01 1.02 -0.49 -0.84 -0.57 0.00 0.00 179.45 178.58 2kd1 h ILE 76 N 0.73 1.31 -0.49 1.86 3.07 -1.35 -1.48 117.51 121.16 2kd1 h ILE 76 Ca 0.11 -1.71 -0.05 0.00 1.55 0.00 0.00 64.86 64.76 2kd1 h ILE 76 Cb 0.72 1.67 -0.02 0.00 -0.27 0.00 0.00 36.82 38.92 2kd1 h ILE 76 CO 0.06 0.53 0.09 0.40 -1.05 0.00 0.00 178.15 178.18 2kd1 h ILE 77 N 0.46 1.22 -0.71 0.16 1.08 -1.32 -2.00 117.51 116.41 2kd1 h ILE 77 Ca 0.02 -0.81 -0.02 0.00 -0.39 0.00 0.00 64.86 63.66 2kd1 h ILE 77 Cb 1.02 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.49 2kd1 h ILE 77 CO 0.09 0.30 0.35 0.11 -0.69 0.00 0.00 178.15 178.31 2kd1 h LYS 78 N 0.72 1.02 -0.40 2.37 1.79 -0.72 -0.89 116.57 120.47 2kd1 h LYS 78 Ca 0.16 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 2kd1 h LYS 78 Cb 0.31 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2kd1 h LYS 78 CO 0.00 0.79 -0.06 0.28 -1.08 0.00 0.00 179.45 179.39 2kd1 h VAL 79 N 0.99 1.27 -0.09 0.50 2.07 -1.04 -0.40 116.25 119.55 2kd1 h VAL 79 Ca 0.24 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 2kd1 h VAL 79 Cb 0.10 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2kd1 h VAL 79 CO -0.03 0.37 0.04 0.40 0.02 0.00 0.00 177.57 178.38 2kd1 h ILE 80 N 0.56 1.11 -0.54 4.57 2.04 -1.25 -2.03 117.51 121.96 2kd1 h ILE 80 Ca 0.11 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.67 2kd1 h ILE 80 Cb 0.56 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2kd1 h ILE 80 CO 0.03 0.09 0.34 0.03 0.00 0.00 0.00 178.15 178.64 2kd1 h ARG 81 N 0.03 0.66 -0.39 2.37 3.08 -1.12 -1.49 114.38 117.52 2kd1 h ARG 81 Ca 0.03 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2kd1 h ARG 81 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2kd1 h ARG 81 CO -0.00 0.44 -0.06 -0.97 -1.07 0.00 0.00 179.97 178.31 2kd1 h ASN 82 N 0.68 0.62 0.17 7.04 -0.73 -0.97 0.76 115.58 123.16 2kd1 h ASN 82 Ca 0.21 -0.15 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 2kd1 h ASN 82 Cb -0.01 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.41 2kd1 h ASN 82 CO -0.08 0.73 -0.08 0.28 -0.37 0.00 0.00 177.43 177.91 2kd1 h SER 83 N 0.60 -0.20 0.45 1.15 0.02 -1.11 -2.56 113.55 111.90 2kd1 h SER 83 Ca 0.12 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2kd1 h SER 83 Cb 0.46 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2kd1 h SER 83 CO 0.02 -0.01 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.32 2kd1 h LEU 84 N -0.38 0.00 -0.42 5.07 3.38 -0.79 -0.20 115.31 121.98 2kd1 h LEU 84 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2kd1 h LEU 84 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2kd1 h LEU 84 CO 0.04 0.31 0.04 -0.33 0.09 0.00 0.00 178.44 178.59 2kd1 h GLU 85 N 0.00 0.72 0.00 1.13 4.39 -0.86 -1.81 114.58 118.15 2kd1 h GLU 85 Ca -0.00 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 2kd1 h GLU 85 Cb 0.62 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2kd1 h GLU 85 CO 0.04 0.78 -0.22 1.25 -1.16 0.00 0.00 179.01 179.69 2kd1 h HIS 86 N 0.57 0.00 -0.05 4.33 2.76 -0.94 -1.77 115.15 120.04 2kd1 h HIS 86 Ca 0.12 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.13 2kd1 h HIS 86 Cb 0.43 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2kd1 h HIS 86 CO 0.03 0.22 -0.70 0.00 -1.30 0.00 0.00 177.93 176.19 2kd1 h ALA 87 N 1.78 0.72 -0.46 5.26 0.00 -0.80 -0.43 119.26 125.32 2kd1 h ALA 87 Ca -0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 2kd1 h ALA 87 Cb 0.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2kd1 h ALA 87 CO 0.03 0.78 -0.22 0.82 0.00 0.00 0.00 179.25 180.66 2kd1 h ILE 88 N 0.18 1.27 -0.90 0.00 2.04 -1.01 0.26 117.51 119.35 2kd1 h ILE 88 Ca -0.02 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 2kd1 h ILE 88 Cb 1.25 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 2kd1 h ILE 88 CO 0.11 0.47 0.51 -0.78 0.00 0.00 0.00 178.15 178.46 2kd1 h ASP 89 N 0.82 1.12 0.29 1.72 3.58 -1.19 -1.84 116.42 120.91 2kd1 h ASP 89 Ca 0.11 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kd1 h ASP 89 Cb 0.79 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2kd1 h ASP 89 CO 0.07 0.88 -0.07 0.18 -2.88 0.00 0.00 179.24 177.42 2kd1 n LEU 90 N -4.35 0.45 -0.44 2.28 4.77 -0.18 -4.93 117.00 114.59 2kd1 n LEU 90 Ca 0.10 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2kd1 n LEU 90 Cb 0.09 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2kd1 n LEU 90 CO 0.39 0.08 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.85 2kd1 n GLU 91 N -0.88 -0.85 -0.08 3.23 1.02 -0.52 -4.92 120.64 117.64 2kd1 n GLU 91 Ca 0.16 0.59 -0.12 0.00 -0.02 0.00 0.00 57.16 57.78 2kd1 n GLU 91 Cb 0.25 -4.44 -0.05 0.00 -0.02 0.00 0.00 31.44 27.18 2kd1 n GLU 91 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kd1 h LEU 92 N 0.00 0.44 -8.87 -4.62 3.38 -0.80 -3.44 115.31 101.41 2kd1 h LEU 92 Ca -0.12 -0.35 -0.58 0.00 0.09 0.00 0.00 57.88 56.92 2kd1 h LEU 92 Cb 0.60 -0.12 -0.19 0.00 0.09 0.00 0.00 40.66 41.04 2kd1 h LEU 92 CO 0.17 0.69 -0.81 0.27 0.09 0.00 0.00 178.44 178.85 2kd1 s ILE 93 N -4.82 2.00 -0.02 1.22 -4.36 -1.13 -4.94 121.20 109.15 2kd1 s ILE 93 Ca -0.14 -1.87 -0.13 0.00 -0.26 0.00 0.00 60.65 58.25 2kd1 s ILE 93 Cb 0.07 -1.89 -0.33 0.00 1.25 0.00 0.00 42.46 41.57 2kd1 s ILE 93 CO 0.75 -0.17 0.81 0.71 0.24 0.00 0.00 174.94 177.28 2kd1 h THR 94 N 3.45 1.09 -3.89 8.37 1.35 -1.89 -3.32 112.91 118.07 2kd1 h THR 94 Ca -0.45 -2.59 -0.26 0.00 -0.55 0.00 0.00 66.41 62.56 2kd1 h THR 94 Cb 1.20 2.89 -0.25 0.00 -1.73 0.00 0.00 68.15 70.26 2kd1 h THR 94 CO 0.47 0.83 -0.73 -0.75 -0.25 0.00 0.00 175.52 175.09 2kd1 s LYS 95 N -2.58 0.31 -0.32 4.72 2.20 -1.26 -4.93 119.74 117.88 2kd1 s LYS 95 Ca -0.13 -0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 54.84 2kd1 s LYS 95 Cb 0.05 -0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.21 2kd1 s LYS 95 CO 0.89 0.04 1.16 1.21 -0.36 0.00 0.00 175.35 178.28 2kd1 s ASN 96 N -0.69 6.83 0.13 1.43 3.84 -1.26 -4.92 114.94 120.30 2kd1 s ASN 96 Ca -0.05 1.08 0.25 0.00 0.21 0.00 0.00 52.86 54.36 2kd1 s ASN 96 Cb -0.05 -2.54 0.61 0.00 -0.55 0.00 0.00 41.25 38.71 2kd1 s ASN 96 CO -0.00 -0.96 1.55 1.33 -2.79 0.00 0.00 177.10 176.23 2kd1 n VAL 97 N 6.02 0.39 0.13 -5.21 0.24 -1.26 -3.10 118.33 115.54 2kd1 n VAL 97 Ca 0.13 -0.24 0.11 0.00 -2.04 0.00 0.00 64.34 62.30 2kd1 n VAL 97 Cb 0.47 -0.30 0.03 0.00 -1.47 0.00 0.00 33.84 32.57 2kd1 n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd1 h ALA 98 N 2.59 0.62 0.00 2.33 0.00 -1.92 -3.26 119.26 119.62 2kd1 h ALA 98 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kd1 h ALA 98 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2kd1 h ALA 98 CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2kd1 h ALA 99 N 1.96 1.00 0.00 0.00 0.00 -1.93 -2.15 119.26 118.14 2kd1 h ALA 99 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2kd1 h ALA 99 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kd1 h ALA 99 CO 0.00 0.00 -0.39 0.87 0.00 0.00 0.00 179.25 179.73 2kd1 h LYS 100 N 0.00 0.00 -4.30 0.00 1.79 -1.68 -3.42 116.57 108.96 2kd1 h LYS 100 Ca 0.00 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.74 2kd1 h LYS 100 Cb 0.39 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.76 2kd1 h LYS 100 CO 0.00 0.39 -0.38 0.99 -1.08 0.00 0.00 179.45 179.37 2kd1 s THR 101 N -3.18 4.39 0.66 -0.16 2.01 -0.81 -5.08 115.64 113.47 2kd1 s THR 101 Ca 0.03 -1.65 -0.11 0.00 0.31 0.00 0.00 61.69 60.28 2kd1 s THR 101 Cb 0.08 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 2kd1 s THR 101 CO 0.71 -0.73 1.06 -0.54 -0.69 0.00 0.00 174.62 174.43 2kd1 s LYS 102 N 1.42 3.22 -0.08 4.92 1.02 -1.26 -4.95 119.74 124.02 2kd1 s LYS 102 Ca 0.05 0.58 -0.30 0.00 0.02 0.00 0.00 55.97 56.32 2kd1 s LYS 102 Cb -0.26 -2.06 -0.05 0.00 -0.52 0.00 0.00 37.83 34.94 2kd1 s LYS 102 CO 0.01 -0.79 1.63 -1.17 -0.92 0.00 0.00 175.35 174.10 2kd1 s LEU 103 N -5.26 4.26 1.00 3.17 2.96 -1.26 -5.04 118.68 118.51 2kd1 s LEU 103 Ca 0.56 2.13 -0.16 0.00 -0.22 0.00 0.00 54.13 56.44 2kd1 s LEU 103 Cb -0.11 -3.53 0.21 0.00 0.50 0.00 0.00 46.19 43.26 2kd1 s LEU 103 CO 0.53 -0.96 1.28 -2.16 -1.32 0.00 0.00 176.35 173.71 2kd1 s PRO 104 N 4.10 0.35 -0.78 0.98 0.04 -1.26 -4.99 135.00 133.44 2kd1 s PRO 104 Ca 0.72 -0.32 -0.25 0.00 0.04 0.00 0.00 61.00 61.19 2kd1 s PRO 104 Cb -0.32 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.46 2kd1 s PRO 104 CO 0.29 -2.62 1.25 0.15 0.04 0.00 0.00 177.00 176.10 2kd1 s LYS 105 N -5.78 3.26 -0.18 4.56 3.01 -1.26 -4.87 119.74 118.48 2kd1 s LYS 105 Ca 0.73 -0.53 0.01 0.00 -1.01 0.00 0.00 55.97 55.16 2kd1 s LYS 105 Cb -0.05 -4.41 0.21 0.00 -1.01 0.00 0.00 37.83 32.56 2kd1 s LYS 105 CO 0.53 -2.09 1.54 0.00 0.51 0.00 0.00 175.35 175.84 2kd1 n ALA 106 N 8.93 3.96 -3.19 5.17 0.00 -1.26 -4.82 120.51 129.31 2kd1 n ALA 106 Ca 0.08 -1.06 -0.27 0.00 0.00 0.00 0.00 53.44 52.18 2kd1 n ALA 106 Cb 0.49 -1.19 -0.17 0.00 0.00 0.00 0.00 19.45 18.58 2kd1 n ALA 106 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kd1 s ASP 107 N 0.36 2.33 0.32 0.00 2.15 -1.26 -4.35 116.67 116.22 2kd1 s ASP 107 Ca 0.21 -0.40 -0.26 0.00 0.43 0.00 0.00 52.55 52.53 2kd1 s ASP 107 Cb 0.17 -0.92 -0.10 0.00 -0.30 0.00 0.00 42.92 41.77 2kd1 s ASP 107 CO 0.02 0.12 0.94 -0.54 -0.17 0.00 0.00 175.17 175.54 2kd1 s LYS 108 N 0.34 4.57 0.05 4.34 1.02 -1.26 -5.09 119.74 123.71 2kd1 s LYS 108 Ca -0.12 1.32 0.03 0.00 0.02 0.00 0.00 55.97 57.22 2kd1 s LYS 108 Cb -0.15 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 2kd1 s LYS 108 CO 0.05 0.27 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.44 2kd1 s GLU 109 N -2.08 0.64 0.00 1.68 2.02 -1.26 -5.04 118.70 114.66 2kd1 s GLU 109 Ca 0.50 -0.80 0.22 0.00 0.02 0.00 0.00 54.97 54.92 2kd1 s GLU 109 Cb -0.18 -0.51 1.05 0.00 0.10 0.00 0.00 34.13 34.59 2kd1 s GLU 109 CO 0.23 0.11 1.71 0.39 0.02 0.00 0.00 175.26 177.72 2kd1 n GLU 110 N 1.49 1.39 -1.17 1.61 1.02 -1.26 -4.37 120.64 119.36 2kd1 n GLU 110 Ca -0.22 -0.58 -0.19 0.00 -0.02 0.00 0.00 57.16 56.15 2kd1 n GLU 110 Cb 0.55 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 30.52 2kd1 n GLU 110 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kd1 n LEU 111 N -0.23 6.07 -1.92 -4.62 4.77 -1.26 -3.74 117.00 116.07 2kd1 n LEU 111 Ca 0.17 -3.55 -0.03 0.00 -0.03 0.00 0.00 56.01 52.56 2kd1 n LEU 111 Cb 0.22 -1.24 0.03 0.00 -2.33 0.00 0.00 43.42 40.10 2kd1 n LEU 111 CO 0.13 1.56 0.38 -1.84 -1.33 0.00 0.00 177.39 176.30 2kd1 n GLU 112 N 1.23 0.73 -2.57 3.23 0.28 -1.26 -5.06 120.64 117.22 2kd1 n GLU 112 Ca 0.40 -1.52 -0.41 0.00 -0.16 0.00 0.00 57.16 55.47 2kd1 n GLU 112 Cb 0.65 0.15 -0.04 0.00 1.43 0.00 0.00 31.44 33.63 2kd1 n GLU 112 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2kd1 s HIS 113 N -0.43 3.62 -0.21 -1.84 2.46 -1.25 -3.05 115.29 114.59 2kd1 s HIS 113 Ca 0.11 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.23 2kd1 s HIS 113 Cb 0.26 -3.24 0.00 0.00 -0.13 0.00 0.00 32.58 29.47 2kd1 s HIS 113 CO -0.08 -0.49 0.00 1.58 -2.47 0.00 0.00 174.74 173.28 2kd1 n HIS 114 N 3.08 0.00 -2.62 3.88 -0.00 -1.26 -4.99 115.22 113.30 2kd1 n HIS 114 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.34 2kd1 n HIS 114 Cb 0.48 -1.09 -0.02 0.00 -0.00 0.00 0.00 29.99 29.35 2kd1 n HIS 114 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kd1 s HIS 115 N -1.73 3.23 -0.17 1.57 5.04 -1.17 -5.03 115.29 117.03 2kd1 s HIS 115 Ca 0.00 1.34 -0.03 0.00 -1.54 0.00 0.00 55.06 54.83 2kd1 s HIS 115 Cb 0.00 -3.41 -0.02 0.00 0.04 0.00 0.00 32.58 29.19 2kd1 s HIS 115 CO 0.00 -0.71 -0.06 -1.01 -2.34 0.00 0.00 174.74 170.62 2kd1 s HIS 116 N 3.37 2.94 -0.02 3.88 3.76 -1.26 -5.02 115.29 122.95 2kd1 s HIS 116 Ca 0.46 -0.63 -0.25 0.00 -0.15 0.00 0.00 55.06 54.49 2kd1 s HIS 116 Cb -0.15 -1.99 -0.20 0.00 1.11 0.00 0.00 32.58 31.35 2kd1 s HIS 116 CO 0.10 -0.28 1.25 1.25 -0.85 0.00 0.00 174.74 176.21 2kd1 h HIS 117 N 7.26 0.07 0.00 1.40 2.76 -2.02 -3.56 115.15 121.06 2kd1 h HIS 117 Ca -0.34 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 2kd1 h HIS 117 Cb 1.19 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.13 2kd1 h HIS 117 CO 0.55 0.56 0.00 1.58 -1.30 0.00 0.00 177.93 179.32