#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd1 n GLU 2 N 0.00 -2.03 -1.11 2.12 4.71 -1.26 -4.97 120.64 118.09 2kd1 n GLU 2 Ca 0.00 1.64 -0.31 0.00 -0.01 0.00 0.00 57.16 58.48 2kd1 n GLU 2 Cb 0.00 -3.62 0.12 0.00 -1.01 0.00 0.00 31.44 26.93 2kd1 n GLU 2 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2kd1 s PRO 3 N -2.74 1.73 -0.90 3.49 0.04 -1.26 -4.91 135.00 130.45 2kd1 s PRO 3 Ca 0.28 1.18 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 2kd1 s PRO 3 Cb -0.05 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 2kd1 s PRO 3 CO 0.83 -2.01 1.99 0.45 0.04 0.00 0.00 177.00 178.30 2kd1 s SER 4 N -3.23 5.03 0.00 6.66 0.15 -1.26 -4.64 113.70 116.41 2kd1 s SER 4 Ca 0.63 -0.63 0.17 0.00 0.70 0.00 0.00 55.95 56.82 2kd1 s SER 4 Cb -0.19 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.59 2kd1 s SER 4 CO 0.57 -2.85 0.91 0.29 1.20 0.00 0.00 173.24 173.36 2kd1 n LYS 5 N 8.84 1.60 -2.16 5.44 4.76 -1.26 -4.93 118.16 130.45 2kd1 n LYS 5 Ca 0.41 -0.96 -0.43 0.00 -2.87 0.00 0.00 58.31 54.45 2kd1 n LYS 5 Cb 0.47 -1.30 -0.02 0.00 -1.84 0.00 0.00 35.03 32.33 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 -1.96 3.56 0.21 -0.35 2.96 -1.26 -5.00 118.68 116.83 2kd1 s LEU 6 Ca 0.15 1.10 -0.30 0.00 -0.22 0.00 0.00 54.13 54.87 2kd1 s LEU 6 Cb 0.14 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.21 2kd1 s LEU 6 CO 0.38 -1.56 0.97 -0.55 -1.32 0.00 0.00 176.35 174.27 2kd1 s SER 7 N 5.02 7.56 0.45 3.68 0.15 -1.26 -1.59 113.70 127.70 2kd1 s SER 7 Ca 0.71 1.95 0.14 0.00 0.70 0.00 0.00 55.95 59.45 2kd1 s SER 7 Cb -0.19 -2.61 1.00 0.00 -1.71 0.00 0.00 66.02 62.51 2kd1 s SER 7 CO 0.33 0.06 2.00 0.22 1.20 0.00 0.00 173.24 177.05 2kd1 h TYR 8 N 4.49 0.04 -0.34 3.44 3.20 -1.17 -0.71 116.97 125.92 2kd1 h TYR 8 Ca -0.45 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.26 2kd1 h TYR 8 Cb 1.20 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 2kd1 h TYR 8 CO 0.62 0.19 -0.42 0.78 -1.64 0.00 0.00 178.16 177.69 2kd1 h GLY 9 N 0.52 0.93 1.73 1.82 0.00 -0.88 0.70 103.07 107.90 2kd1 h GLY 9 Ca 0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 47.33 46.24 2kd1 h GLY 9 CO 0.02 0.88 -0.45 0.83 0.00 0.00 0.00 176.54 177.82 2kd1 h GLU 10 N 0.69 0.30 -0.49 4.80 4.39 -1.66 -2.94 114.58 119.66 2kd1 h GLU 10 Ca 0.05 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 2kd1 h GLU 10 Cb 1.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 2kd1 h GLU 10 CO 0.10 0.70 -0.15 -0.92 -1.16 0.00 0.00 179.01 177.57 2kd1 h TYR 11 N 0.24 1.07 -0.06 4.33 3.20 -0.80 -2.37 116.97 122.58 2kd1 h TYR 11 Ca 0.02 -0.23 -0.08 0.00 3.14 0.00 0.00 58.73 61.58 2kd1 h TYR 11 Cb 0.90 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2kd1 h TYR 11 CO 0.02 1.02 -0.33 -0.07 -1.64 0.00 0.00 178.16 177.16 2kd1 h LEU 12 N 0.84 0.12 -0.08 2.82 3.38 -0.72 0.25 115.31 121.92 2kd1 h LEU 12 Ca 0.13 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 2kd1 h LEU 12 Cb 0.70 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.43 2kd1 h LEU 12 CO 0.05 0.45 -0.91 -0.33 0.09 0.00 0.00 178.44 177.79 2kd1 h GLU 13 N 0.10 0.75 -0.57 1.13 4.39 -1.49 -0.42 114.58 118.48 2kd1 h GLU 13 Ca 0.01 -0.71 -0.08 0.00 0.34 0.00 0.00 59.36 58.93 2kd1 h GLU 13 Cb 0.64 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 2kd1 h GLU 13 CO 0.05 1.29 0.04 1.03 -1.16 0.00 0.00 179.01 180.26 2kd1 h SER 14 N 0.47 0.95 -0.52 1.42 0.87 -1.09 -0.65 113.55 115.00 2kd1 h SER 14 Ca -0.09 -0.29 -0.10 0.00 -1.23 0.00 0.00 61.79 60.08 2kd1 h SER 14 Cb 1.55 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.24 2kd1 h SER 14 CO 0.18 1.00 -0.06 -0.25 -0.53 0.00 0.00 176.83 177.17 2kd1 h TRP 15 N 0.86 1.06 -0.57 2.24 7.01 -0.57 -2.88 115.95 123.10 2kd1 h TRP 15 Ca 0.17 -0.21 -0.07 0.00 2.11 0.00 0.00 58.89 60.89 2kd1 h TRP 15 Cb 0.49 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 2kd1 h TRP 15 CO 0.04 0.99 0.06 0.35 -2.79 0.00 0.00 178.44 177.09 2kd1 h PHE 16 N 0.83 1.00 -0.96 2.65 3.57 -0.89 0.22 116.94 123.36 2kd1 h PHE 16 Ca 0.14 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2kd1 h PHE 16 Cb 0.61 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 2kd1 h PHE 16 CO 0.04 0.87 0.63 -0.91 -2.23 0.00 0.00 178.31 176.71 2kd1 h ASN 17 N 0.88 1.11 1.26 0.41 2.35 -0.96 -1.64 115.58 118.99 2kd1 h ASN 17 Ca 0.17 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2kd1 h ASN 17 Cb 0.43 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2kd1 h ASN 17 CO 0.01 0.81 -0.76 0.00 -1.65 0.00 0.00 177.43 175.84 2kd1 h THR 18 N 1.30 0.22 0.00 2.81 1.03 -1.33 -3.36 112.91 113.59 2kd1 h THR 18 Ca 0.35 -1.36 -0.12 0.00 -0.01 0.00 0.00 66.41 65.27 2kd1 h THR 18 Cb -0.14 1.86 -0.02 0.00 -1.07 0.00 0.00 68.15 68.78 2kd1 h THR 18 CO -0.07 0.12 -0.57 0.50 -0.01 0.00 0.00 175.52 175.49 2kd1 h LYS 19 N 0.00 0.00 -0.52 0.00 1.63 0.20 -2.58 116.57 115.29 2kd1 h LYS 19 Ca -0.03 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.92 2kd1 h LYS 19 Cb 1.17 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 2kd1 h LYS 19 CO 0.02 0.57 0.38 0.00 -3.45 0.00 0.00 179.45 176.97 2kd1 h ARG 20 N 0.00 0.00 0.00 1.90 3.08 -1.47 -0.29 114.38 117.60 2kd1 h ARG 20 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2kd1 h ARG 20 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 2kd1 h ARG 20 CO 0.07 0.00 -0.09 0.45 -1.07 0.00 0.00 179.97 179.33 2kd1 h HIS 21 N 0.00 0.00 0.00 3.04 3.86 -1.69 -3.22 115.15 117.14 2kd1 h HIS 21 Ca 0.25 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.13 2kd1 h HIS 21 Cb 1.00 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.41 2kd1 h HIS 21 CO 0.00 0.09 -2.25 0.43 0.86 0.00 0.00 177.93 177.06 2kd1 n SER 22 N -3.50 1.57 -4.71 2.45 7.64 -0.26 -5.04 113.62 111.77 2kd1 n SER 22 Ca -0.02 -0.07 -0.30 0.00 1.01 0.00 0.00 58.87 59.49 2kd1 n SER 22 Cb 0.23 0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.44 4.15 1.02 0.44 -7.23 -0.39 -5.13 120.40 110.82 2kd1 s VAL 23 Ca -0.21 -0.92 -0.14 0.00 -1.81 0.00 0.00 61.98 58.89 2kd1 s VAL 23 Cb 0.07 -2.98 0.20 0.00 0.56 0.00 0.00 36.38 34.23 2kd1 s VAL 23 CO 0.61 0.13 1.12 -0.83 -0.31 0.00 0.00 175.10 175.82 2kd1 s GLY 24 N -2.31 1.58 0.14 2.32 0.00 -1.26 -4.62 107.32 103.18 2kd1 s GLY 24 Ca 0.26 -0.61 -0.16 0.00 0.00 0.00 0.00 44.72 44.22 2kd1 s GLY 24 CO 0.19 0.06 1.73 -2.22 0.00 0.00 0.00 173.10 172.87 2kd1 h ILE 25 N -1.93 1.17 -0.54 0.90 1.08 -1.99 0.93 117.51 117.14 2kd1 h ILE 25 Ca -0.51 -0.48 -0.07 0.00 -0.39 0.00 0.00 64.86 63.41 2kd1 h ILE 25 Cb 1.32 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 2kd1 h ILE 25 CO 0.53 0.19 0.06 0.06 -0.69 0.00 0.00 178.15 178.30 2kd1 h GLN 26 N 0.55 0.91 -0.49 2.37 3.07 -2.00 -2.09 115.11 117.43 2kd1 h GLN 26 Ca 0.15 -0.26 -0.09 0.00 0.09 0.00 0.00 58.65 58.54 2kd1 h GLN 26 Cb 0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 2kd1 h GLN 26 CO -0.02 0.89 -0.06 1.15 0.09 0.00 0.00 178.83 180.89 2kd1 h THR 27 N 0.79 1.26 -0.43 1.86 2.02 -1.88 -2.99 112.91 113.53 2kd1 h THR 27 Ca 0.16 -1.13 -0.13 0.00 0.77 0.00 0.00 66.41 66.09 2kd1 h THR 27 Cb 0.44 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2kd1 h THR 27 CO 0.01 0.39 -0.23 0.00 0.37 0.00 0.00 175.52 176.07 2kd1 h ALA 28 N 1.15 0.77 -0.79 6.16 0.00 -0.65 -1.72 119.26 124.18 2kd1 h ALA 28 Ca 0.14 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2kd1 h ALA 28 Cb 0.55 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2kd1 h ALA 28 CO 0.03 0.66 0.52 -0.22 0.00 0.00 0.00 179.25 180.24 2kd1 h LYS 29 N 0.77 1.03 0.01 0.00 3.11 -1.24 -1.38 116.57 118.86 2kd1 h LYS 29 Ca 0.10 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2kd1 h LYS 29 Cb 0.78 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 2kd1 h LYS 29 CO 0.06 0.68 -0.00 0.28 -2.81 0.00 0.00 179.45 177.66 2kd1 h VAL 30 N 1.06 1.55 -0.51 2.00 2.07 -1.35 -1.10 116.25 119.97 2kd1 h VAL 30 Ca 0.29 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2kd1 h VAL 30 Cb -0.11 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2kd1 h VAL 30 CO -0.07 0.44 0.29 -0.07 0.02 0.00 0.00 177.57 178.18 2kd1 h LEU 31 N -0.74 0.63 -0.33 2.57 3.38 -1.26 -1.23 115.31 118.33 2kd1 h LEU 31 Ca -0.00 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2kd1 h LEU 31 Cb 0.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2kd1 h LEU 31 CO 0.00 0.53 -0.12 0.50 0.09 0.00 0.00 178.44 179.44 2kd1 h LYS 32 N 0.68 0.67 -0.03 1.13 3.64 -1.36 -0.86 116.57 120.45 2kd1 h LYS 32 Ca 0.18 -0.28 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2kd1 h LYS 32 Cb 0.03 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2kd1 h LYS 32 CO -0.03 0.86 0.04 0.78 -2.27 0.00 0.00 179.45 178.83 2kd1 h GLY 33 N 0.45 0.00 1.17 5.01 0.00 -0.88 0.02 103.07 108.84 2kd1 h GLY 33 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.08 2kd1 h GLY 33 CO 0.04 0.00 -1.57 -0.97 0.00 0.00 0.00 176.54 174.04 2kd1 h TYR 34 N 0.00 0.71 0.48 5.60 0.05 -0.92 -3.28 116.97 119.60 2kd1 h TYR 34 Ca 0.02 -0.52 -0.02 0.00 0.05 0.00 0.00 58.73 58.26 2kd1 h TYR 34 Cb 0.10 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2kd1 h TYR 34 CO 0.00 1.53 -0.34 -0.07 -1.05 0.00 0.00 178.16 178.23 2kd1 h LEU 35 N 0.11 -0.89 -1.21 3.88 3.38 0.44 0.08 115.31 121.09 2kd1 h LEU 35 Ca -0.27 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2kd1 h LEU 35 Cb 2.09 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 43.10 2kd1 h LEU 35 CO 0.21 -0.50 -0.37 -0.55 0.09 0.00 0.00 178.44 177.32 2kd1 h ASN 36 N -0.78 0.05 0.00 -0.43 7.08 -1.56 0.95 115.58 120.88 2kd1 h ASN 36 Ca -0.06 -0.02 -0.00 0.00 -3.08 0.00 0.00 56.30 53.14 2kd1 h ASN 36 Cb 0.64 -0.01 -0.00 0.00 -2.08 0.00 0.00 38.32 36.87 2kd1 h ASN 36 CO 0.03 0.41 -0.02 -1.28 -2.08 0.00 0.00 177.43 174.49 2kd1 h SER 37 N 0.04 0.00 0.00 6.14 0.87 -1.61 -3.39 113.55 115.60 2kd1 h SER 37 Ca 0.00 -0.95 -0.14 0.00 -1.23 0.00 0.00 61.79 59.47 2kd1 h SER 37 Cb 0.67 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 2kd1 h SER 37 CO 0.05 0.99 -1.34 0.54 -0.53 0.00 0.00 176.83 176.54 2kd1 n ARG 38 N -4.61 0.54 0.13 2.24 5.12 0.00 -4.58 116.66 115.49 2kd1 n ARG 38 Ca -0.10 0.31 -0.23 0.00 -1.93 0.00 0.00 57.85 55.89 2kd1 n ARG 38 Cb 0.47 -1.52 -0.16 0.00 -1.16 0.00 0.00 32.46 30.09 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 1.23 -0.31 0.55 5.03 -1.20 -3.28 117.51 118.53 2kd1 h ILE 39 Ca -0.21 -2.70 -0.00 0.00 -0.12 0.00 0.00 64.86 61.82 2kd1 h ILE 39 Cb 1.10 2.98 -0.01 0.00 -3.03 0.00 0.00 36.82 37.85 2kd1 h ILE 39 CO -0.13 0.83 0.18 0.40 -0.68 0.00 0.00 178.15 178.75 2kd1 h ILE 40 N 0.13 1.12 0.00 -0.67 5.03 -1.04 0.47 117.51 122.55 2kd1 h ILE 40 Ca -0.26 -0.28 -0.01 0.00 -0.12 0.00 0.00 64.86 64.19 2kd1 h ILE 40 Cb 2.14 0.75 -0.00 0.00 -3.03 0.00 0.00 36.82 36.68 2kd1 h ILE 40 CO 0.25 0.11 -0.04 -0.65 -0.68 0.00 0.00 178.15 177.14 2kd1 h PRO 41 N 0.39 0.00 0.00 2.37 0.11 -1.75 -2.75 132.00 130.37 2kd1 h PRO 41 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2kd1 h PRO 41 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2kd1 h PRO 41 CO -0.02 0.04 0.00 0.45 -0.21 0.00 0.00 178.00 178.26 2kd1 n SER 42 N -4.15 0.00 -0.00 -2.05 2.88 -0.77 -4.80 113.62 104.73 2kd1 n SER 42 Ca -0.03 0.08 0.10 0.00 -1.33 0.00 0.00 58.87 57.70 2kd1 n SER 42 Cb 0.13 -0.40 -0.13 0.00 -0.75 0.00 0.00 64.21 63.06 2kd1 n SER 42 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kd1 n LEU 43 N -2.17 0.77 0.04 2.46 4.77 0.14 -4.61 117.00 118.41 2kd1 n LEU 43 Ca 0.00 -0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 55.47 2kd1 n LEU 43 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2kd1 n LEU 43 CO 0.00 0.19 0.63 1.23 -1.33 0.00 0.00 177.39 178.11 2kd1 h GLY 44 N 4.76 -0.12 1.94 -0.72 0.00 -0.72 -2.83 103.07 105.38 2kd1 h GLY 44 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.38 2kd1 h GLY 44 CO 0.00 -0.04 0.02 3.43 0.00 0.00 0.00 176.54 179.95 2kd1 h ASN 45 N -0.52 0.00 -3.87 0.19 2.35 -1.77 0.16 115.58 112.12 2kd1 h ASN 45 Ca -0.01 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.24 2kd1 h ASN 45 Cb 0.43 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.83 2kd1 h ASN 45 CO 0.02 0.00 0.47 -0.63 -1.65 0.00 0.00 177.43 175.64 2kd1 s ILE 46 N -4.80 3.47 0.42 2.81 1.01 -1.07 -4.82 121.20 118.22 2kd1 s ILE 46 Ca -0.05 1.34 -0.23 0.00 0.00 0.00 0.00 60.65 61.71 2kd1 s ILE 46 Cb 0.16 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 2kd1 s ILE 46 CO 0.59 0.22 1.03 -0.54 0.00 0.00 0.00 174.94 176.24 2kd1 s LYS 47 N -1.87 4.10 0.39 2.79 -0.14 -1.26 -1.38 119.74 122.37 2kd1 s LYS 47 Ca 0.50 1.43 0.06 0.00 -1.36 0.00 0.00 55.97 56.60 2kd1 s LYS 47 Cb -0.29 -2.41 0.79 0.00 -1.68 0.00 0.00 37.83 34.24 2kd1 s LYS 47 CO 0.37 -0.19 2.04 1.25 -0.76 0.00 0.00 175.35 178.07 2kd1 h LEU 48 N 2.23 0.54 -1.17 3.17 5.85 -1.60 -0.57 115.31 123.76 2kd1 h LEU 48 Ca -0.49 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 2kd1 h LEU 48 Cb 1.21 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2kd1 h LEU 48 CO 0.61 0.40 -0.15 0.00 -0.34 0.00 0.00 178.44 178.96 2kd1 h ALA 49 N 1.70 1.01 0.00 1.25 0.00 -1.89 -2.88 119.26 118.45 2kd1 h ALA 49 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kd1 h ALA 49 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kd1 h ALA 49 CO -0.03 0.19 -0.02 1.63 0.00 0.00 0.00 179.25 181.02 2kd1 n LYS 50 N -3.29 0.27 -1.87 0.00 4.76 -0.23 -4.79 118.16 113.00 2kd1 n LYS 50 Ca 0.00 0.21 -0.40 0.00 -2.87 0.00 0.00 58.31 55.26 2kd1 n LYS 50 Cb 0.40 -1.81 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 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 -4.54 3.39 0.43 -0.35 1.02 -1.09 -4.95 118.68 112.60 2kd1 s LEU 51 Ca 0.11 0.95 0.07 0.00 0.02 0.00 0.00 54.13 55.28 2kd1 s LEU 51 Cb 0.12 -2.90 -0.01 0.00 0.02 0.00 0.00 46.19 43.42 2kd1 s LEU 51 CO 0.60 -2.27 0.38 0.28 0.02 0.00 0.00 176.35 175.36 2kd1 s THR 52 N 9.16 2.52 0.37 5.49 -1.32 -1.26 -4.84 115.64 125.75 2kd1 s THR 52 Ca 0.82 -1.36 0.32 0.00 -1.21 0.00 0.00 61.69 60.25 2kd1 s THR 52 Cb -0.19 -2.88 0.34 0.00 -1.51 0.00 0.00 72.50 68.26 2kd1 s THR 52 CO 0.27 0.00 2.09 0.28 -2.21 0.00 0.00 174.62 175.05 2kd1 h SER 53 N 0.99 0.00 -0.56 8.08 0.02 -1.94 -2.28 113.55 117.86 2kd1 h SER 53 Ca -0.41 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.49 2kd1 h SER 53 Cb 1.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 2kd1 h SER 53 CO 0.57 0.08 0.13 0.25 -1.14 0.00 0.00 176.83 176.72 2kd1 h LEU 54 N 0.00 0.86 -1.37 5.07 5.85 -1.96 -1.43 115.31 122.33 2kd1 h LEU 54 Ca -0.00 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2kd1 h LEU 54 Cb 0.34 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2kd1 h LEU 54 CO 0.01 0.88 0.17 0.45 -0.34 0.00 0.00 178.44 179.61 2kd1 h HIS 55 N 0.81 0.60 -0.04 1.25 3.86 -1.78 -0.06 115.15 119.79 2kd1 h HIS 55 Ca 0.18 -0.02 -0.23 0.00 -1.16 0.00 0.00 60.37 59.14 2kd1 h HIS 55 Cb 0.36 -0.19 0.01 0.00 1.06 0.00 0.00 27.41 28.65 2kd1 h HIS 55 CO 0.03 0.47 -0.90 0.52 0.86 0.00 0.00 177.93 178.90 2kd1 h MET 56 N 0.60 0.52 -0.43 2.45 2.86 -1.47 -1.49 114.93 117.97 2kd1 h MET 56 Ca 0.15 -0.51 -0.11 0.00 -2.06 0.00 0.00 59.70 57.17 2kd1 h MET 56 Cb 0.12 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2kd1 h MET 56 CO -0.02 1.14 -0.16 0.37 1.06 0.00 0.00 176.91 179.31 2kd1 h GLN 57 N 0.31 0.87 -0.16 1.72 5.75 -0.91 -2.56 115.11 120.13 2kd1 h GLN 57 Ca -0.08 -0.36 -0.06 0.00 -0.15 0.00 0.00 58.65 58.00 2kd1 h GLN 57 Cb 1.53 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 30.03 2kd1 h GLN 57 CO 0.16 1.00 -0.18 -0.91 -2.65 0.00 0.00 178.83 176.25 2kd1 h ASN 58 N 0.69 0.26 -0.40 -0.69 2.35 -0.98 -1.25 115.58 115.57 2kd1 h ASN 58 Ca 0.10 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2kd1 h ASN 58 Cb 0.71 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 2kd1 h ASN 58 CO 0.05 0.47 0.13 0.22 -1.65 0.00 0.00 177.43 176.65 2kd1 h TYR 59 N 0.25 0.63 -0.53 1.19 3.20 -1.12 -1.48 116.97 119.11 2kd1 h TYR 59 Ca 0.05 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2kd1 h TYR 59 Cb 0.48 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2kd1 h TYR 59 CO 0.01 0.58 0.13 0.28 -1.64 0.00 0.00 178.16 177.52 2kd1 h VAL 60 N 0.50 1.22 -0.25 1.81 2.07 -1.00 -2.16 116.25 118.44 2kd1 h VAL 60 Ca 0.13 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 2kd1 h VAL 60 Cb 0.24 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2kd1 h VAL 60 CO -0.01 0.30 -0.22 0.78 0.02 0.00 0.00 177.57 178.44 2kd1 h ASN 61 N 0.79 0.45 -0.18 0.57 2.35 -1.08 -2.57 115.58 115.91 2kd1 h ASN 61 Ca 0.17 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2kd1 h ASN 61 Cb 0.29 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2kd1 h ASN 61 CO -0.00 0.68 0.08 0.28 -1.65 0.00 0.00 177.43 176.82 2kd1 h SER 62 N 0.41 0.24 -0.22 5.81 0.02 -0.77 -3.16 113.55 115.89 2kd1 h SER 62 Ca 0.06 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2kd1 h SER 62 Cb 0.62 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2kd1 h SER 62 CO 0.04 0.32 0.15 -0.07 -1.14 0.00 0.00 176.83 176.13 2kd1 h LEU 63 N 0.16 0.15 -0.03 5.07 3.38 -1.02 0.52 115.31 123.53 2kd1 h LEU 63 Ca 0.06 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kd1 h LEU 63 Cb 0.14 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kd1 h LEU 63 CO -0.01 0.10 0.02 -0.09 0.09 0.00 0.00 178.44 178.55 2kd1 h ARG 64 N 0.17 0.04 0.00 1.13 2.43 -1.46 -1.30 114.38 115.40 2kd1 h ARG 64 Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2kd1 h ARG 64 Cb 0.16 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2kd1 h ARG 64 CO -0.02 0.12 -0.10 -0.40 -1.51 0.00 0.00 179.97 178.07 2kd1 n ASP 65 N -5.02 0.46 0.12 -3.80 5.68 -0.37 -2.39 116.55 111.22 2kd1 n ASP 65 Ca -0.07 0.44 -0.01 0.00 -0.50 0.00 0.00 54.79 54.65 2kd1 n ASP 65 Cb 0.07 -0.51 0.03 0.00 -1.14 0.00 0.00 41.12 39.58 2kd1 n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2kd1 h GLU 66 N 0.00 0.00 -1.72 0.11 4.39 -0.81 -3.48 114.58 113.07 2kd1 h GLU 66 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2kd1 h GLU 66 Cb 0.63 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.30 2kd1 h GLU 66 CO 0.00 0.69 -0.19 0.41 -1.16 0.00 0.00 179.01 178.76 2kd1 n GLY 67 N 1.00 0.30 3.76 -3.84 0.00 -0.53 -5.03 105.19 100.85 2kd1 n GLY 67 Ca 0.00 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.42 4.51 0.59 0.99 1.43 -0.97 -5.04 118.68 117.77 2kd1 s LEU 68 Ca 0.09 2.39 -0.17 0.00 -1.03 0.00 0.00 54.13 55.42 2kd1 s LEU 68 Cb -0.04 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 2kd1 s LEU 68 CO 0.11 -0.27 1.07 -1.59 0.23 0.00 0.00 176.35 175.91 2kd1 s LYS 69 N -1.47 3.28 0.43 1.70 -2.85 -1.26 -4.81 119.74 114.76 2kd1 s LYS 69 Ca 0.46 1.32 0.15 0.00 -1.00 0.00 0.00 55.97 56.90 2kd1 s LYS 69 Cb -0.34 -2.02 1.03 0.00 -2.06 0.00 0.00 37.83 34.44 2kd1 s LYS 69 CO 0.44 -0.85 1.95 0.07 0.10 0.00 0.00 175.35 177.06 2kd1 h ARG 70 N 0.61 0.41 -0.24 1.78 0.11 -1.96 -0.83 114.38 114.26 2kd1 h ARG 70 Ca -0.48 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 59.55 2kd1 h ARG 70 Cb 1.23 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 2kd1 h ARG 70 CO 0.57 0.27 0.06 0.78 0.10 0.00 0.00 179.97 181.75 2kd1 h GLY 71 N 0.42 0.42 0.97 0.08 0.00 -1.98 -0.42 103.07 102.56 2kd1 h GLY 71 Ca 0.33 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 2kd1 h GLY 71 CO -0.10 0.25 0.20 -0.84 0.00 0.00 0.00 176.54 176.05 2kd1 h THR 72 N 0.22 1.21 -0.27 4.70 2.02 -1.57 -1.27 112.91 117.94 2kd1 h THR 72 Ca 0.08 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2kd1 h THR 72 Cb 0.29 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2kd1 h THR 72 CO 0.00 0.24 0.18 0.40 0.37 0.00 0.00 175.52 176.71 2kd1 h ILE 73 N 0.65 1.07 -0.54 3.11 2.04 -1.28 -1.62 117.51 120.95 2kd1 h ILE 73 Ca 0.16 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 2kd1 h ILE 73 Cb 0.19 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2kd1 h ILE 73 CO -0.01 0.07 0.23 -0.08 0.00 0.00 0.00 178.15 178.35 2kd1 h GLU 74 N 0.37 0.76 0.28 2.37 4.81 -0.84 -1.93 114.58 120.41 2kd1 h GLU 74 Ca 0.10 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2kd1 h GLU 74 Cb -0.04 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2kd1 h GLU 74 CO -0.02 0.62 -0.14 0.87 -0.73 0.00 0.00 179.01 179.61 2kd1 h LYS 75 N 0.76 -0.37 -0.13 1.92 1.57 -1.00 -3.04 116.57 116.28 2kd1 h LYS 75 Ca 0.19 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 2kd1 h LYS 75 Cb 0.13 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2kd1 h LYS 75 CO -0.02 -0.02 -0.24 -0.84 -0.57 0.00 0.00 179.45 177.75 2kd1 h ILE 76 N -0.89 1.23 -0.34 1.86 3.07 -1.16 -0.11 117.51 121.17 2kd1 h ILE 76 Ca -0.04 -1.08 -0.05 0.00 1.55 0.00 0.00 64.86 65.25 2kd1 h ILE 76 Cb 0.51 1.41 -0.01 0.00 -0.27 0.00 0.00 36.82 38.46 2kd1 h ILE 76 CO 0.06 0.33 0.03 0.40 -1.05 0.00 0.00 178.15 177.92 2kd1 h ILE 77 N 0.20 1.25 0.00 0.16 1.08 -1.49 -2.22 117.51 116.49 2kd1 h ILE 77 Ca 0.03 -0.89 -0.05 0.00 -0.39 0.00 0.00 64.86 63.57 2kd1 h ILE 77 Cb 0.55 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 2kd1 h ILE 77 CO 0.04 0.29 -0.22 0.11 -0.69 0.00 0.00 178.15 177.68 2kd1 h LYS 78 N 0.40 0.00 -0.15 2.37 1.79 -1.06 -0.81 116.57 119.11 2kd1 h LYS 78 Ca 0.10 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 2kd1 h LYS 78 Cb 0.39 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2kd1 h LYS 78 CO 0.01 0.22 -0.04 0.28 -1.08 0.00 0.00 179.45 178.84 2kd1 h VAL 79 N 0.00 1.29 -0.29 0.50 2.07 -0.92 -1.07 116.25 117.83 2kd1 h VAL 79 Ca -0.00 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 2kd1 h VAL 79 Cb 0.48 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2kd1 h VAL 79 CO 0.03 0.29 0.11 0.40 0.02 0.00 0.00 177.57 178.42 2kd1 h ILE 80 N -0.01 1.18 -0.47 4.57 2.04 -0.98 -1.33 117.51 122.51 2kd1 h ILE 80 Ca 0.04 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 2kd1 h ILE 80 Cb 0.47 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2kd1 h ILE 80 CO 0.02 0.19 0.29 0.03 0.00 0.00 0.00 178.15 178.67 2kd1 h ARG 81 N 0.31 0.64 0.00 2.37 3.08 -1.20 -1.65 114.38 117.93 2kd1 h ARG 81 Ca 0.10 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2kd1 h ARG 81 Cb 0.19 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2kd1 h ARG 81 CO -0.01 0.46 -0.36 -0.97 -1.07 0.00 0.00 179.97 178.02 2kd1 h ASN 82 N 0.63 0.00 -0.14 7.04 -0.73 -1.07 0.39 115.58 121.69 2kd1 h ASN 82 Ca 0.17 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.33 2kd1 h ASN 82 Cb -0.01 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 2kd1 h ASN 82 CO -0.03 0.36 0.06 0.28 -0.37 0.00 0.00 177.43 177.73 2kd1 h SER 83 N 0.00 0.20 0.77 1.15 0.02 -0.82 -2.79 113.55 112.09 2kd1 h SER 83 Ca -0.00 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 2kd1 h SER 83 Cb 0.67 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2kd1 h SER 83 CO 0.05 0.31 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.65 2kd1 h LEU 84 N 0.08 0.00 -0.63 5.07 3.38 -0.59 -1.31 115.31 121.30 2kd1 h LEU 84 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2kd1 h LEU 84 Cb 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2kd1 h LEU 84 CO -0.00 0.32 0.18 -0.33 0.09 0.00 0.00 178.44 178.69 2kd1 h GLU 85 N 0.00 0.98 -0.10 1.13 4.39 -0.89 -1.02 114.58 119.08 2kd1 h GLU 85 Ca -0.00 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.35 2kd1 h GLU 85 Cb 0.79 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2kd1 h GLU 85 CO 0.04 0.88 -0.50 1.25 -1.16 0.00 0.00 179.01 179.52 2kd1 h HIS 86 N 0.91 0.33 -0.22 4.33 2.76 -1.17 -2.42 115.15 119.66 2kd1 h HIS 86 Ca 0.20 -0.11 -0.14 0.00 -2.20 0.00 0.00 60.37 58.12 2kd1 h HIS 86 Cb 0.32 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 2kd1 h HIS 86 CO 0.02 0.72 -0.45 0.00 -1.30 0.00 0.00 177.93 176.92 2kd1 h ALA 87 N 1.26 0.79 -0.48 5.26 0.00 -1.00 -1.96 119.26 123.13 2kd1 h ALA 87 Ca 0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2kd1 h ALA 87 Cb 0.97 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2kd1 h ALA 87 CO 0.08 0.66 0.09 0.82 0.00 0.00 0.00 179.25 180.90 2kd1 h ILE 88 N 0.46 1.24 -0.49 0.00 2.04 -1.10 0.25 117.51 119.92 2kd1 h ILE 88 Ca 0.03 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.03 2kd1 h ILE 88 Cb 0.97 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2kd1 h ILE 88 CO 0.09 0.31 0.29 -0.78 0.00 0.00 0.00 178.15 178.06 2kd1 h ASP 89 N 0.66 0.46 -0.04 1.72 3.58 -1.28 -1.34 116.42 120.17 2kd1 h ASP 89 Ca 0.15 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2kd1 h ASP 89 Cb 0.37 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2kd1 h ASP 89 CO 0.01 0.32 0.00 0.18 -2.88 0.00 0.00 179.24 176.87 2kd1 n LEU 90 N -4.82 0.75 -1.47 2.28 4.77 -0.75 -4.92 117.00 112.84 2kd1 n LEU 90 Ca 0.03 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.57 2kd1 n LEU 90 Cb 0.08 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2kd1 n LEU 90 CO 0.32 0.14 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.73 2kd1 n GLU 91 N -0.35 -1.15 0.14 3.23 1.02 -0.51 -4.89 120.64 118.12 2kd1 n GLU 91 Ca 0.18 0.89 -0.00 0.00 -0.02 0.00 0.00 57.16 58.21 2kd1 n GLU 91 Cb 0.21 -5.15 0.16 0.00 -0.02 0.00 0.00 31.44 26.64 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 0.00 -8.25 -4.62 3.38 -0.77 -3.45 115.31 101.60 2kd1 h LEU 92 Ca -0.34 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.40 2kd1 h LEU 92 Cb 1.14 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 2kd1 h LEU 92 CO 0.45 0.61 -0.71 0.27 0.09 0.00 0.00 178.44 179.14 2kd1 s ILE 93 N -3.46 0.51 0.12 1.22 -4.36 -1.12 -4.86 121.20 109.25 2kd1 s ILE 93 Ca -0.00 -1.43 0.07 0.00 -0.26 0.00 0.00 60.65 59.03 2kd1 s ILE 93 Cb 0.12 -1.03 -0.19 0.00 1.25 0.00 0.00 42.46 42.60 2kd1 s ILE 93 CO 0.75 -0.63 1.30 0.00 0.24 0.00 0.00 174.94 176.61 2kd1 h THR 94 N 3.85 1.68 -2.31 8.37 1.03 -1.91 -3.37 112.91 120.25 2kd1 h THR 94 Ca -0.35 -3.33 -0.07 0.00 -0.01 0.00 0.00 66.41 62.65 2kd1 h THR 94 Cb 1.18 2.80 -0.21 0.00 -1.07 0.00 0.00 68.15 70.85 2kd1 h THR 94 CO 0.52 0.95 0.01 -0.75 -0.01 0.00 0.00 175.52 176.23 2kd1 s LYS 95 N -2.76 0.78 -0.48 0.00 2.20 -1.26 -5.02 119.74 113.19 2kd1 s LYS 95 Ca 0.01 0.56 -0.28 0.00 -0.36 0.00 0.00 55.97 55.90 2kd1 s LYS 95 Cb 0.10 0.38 -0.00 0.00 -1.51 0.00 0.00 37.83 36.79 2kd1 s LYS 95 CO 0.81 -0.16 1.60 1.21 -0.36 0.00 0.00 175.35 178.46 2kd1 s ASN 96 N -0.26 5.93 0.11 1.43 3.84 -1.26 -4.88 114.94 119.85 2kd1 s ASN 96 Ca -0.04 0.66 0.25 0.00 0.21 0.00 0.00 52.86 53.94 2kd1 s ASN 96 Cb -0.03 -2.54 0.96 0.00 -0.55 0.00 0.00 41.25 39.10 2kd1 s ASN 96 CO 0.04 -1.79 1.78 1.33 -2.79 0.00 0.00 177.10 175.66 2kd1 n VAL 97 N 7.12 0.47 1.37 -5.21 0.24 -1.26 -2.62 118.33 118.43 2kd1 n VAL 97 Ca 0.17 -0.04 0.13 0.00 -2.04 0.00 0.00 64.34 62.56 2kd1 n VAL 97 Cb 0.49 -0.69 0.45 0.00 -1.47 0.00 0.00 33.84 32.62 2kd1 n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd1 n ALA 98 N -1.64 2.55 0.44 2.33 0.00 -1.26 -3.67 120.51 119.25 2kd1 n ALA 98 Ca 0.05 -0.49 0.11 0.00 0.00 0.00 0.00 53.44 53.11 2kd1 n ALA 98 Cb 0.34 -1.12 0.46 0.00 0.00 0.00 0.00 19.45 19.13 2kd1 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kd1 n ALA 99 N 0.30 1.71 0.16 0.00 0.00 -1.08 -1.73 120.51 119.87 2kd1 n ALA 99 Ca 0.18 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.74 2kd1 n ALA 99 Cb 0.36 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.51 2kd1 n ALA 99 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kd1 h LYS 100 N 0.00 0.00 -6.03 0.00 1.79 -1.80 -3.45 116.57 107.08 2kd1 h LYS 100 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 2kd1 h LYS 100 Cb 0.38 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.92 2kd1 h LYS 100 CO 0.00 0.26 0.75 0.99 -1.08 0.00 0.00 179.45 180.37 2kd1 s THR 101 N -3.08 4.15 0.31 -0.16 2.01 -0.71 -5.02 115.64 113.14 2kd1 s THR 101 Ca 0.04 0.31 0.07 0.00 0.31 0.00 0.00 61.69 62.42 2kd1 s THR 101 Cb 0.07 -4.69 -0.03 0.00 0.01 0.00 0.00 72.50 67.86 2kd1 s THR 101 CO 0.73 -1.39 0.29 -0.54 -0.69 0.00 0.00 174.62 173.02 2kd1 s LYS 102 N 4.57 2.87 0.00 4.92 1.02 -1.26 -4.99 119.74 126.87 2kd1 s LYS 102 Ca 0.32 -1.16 -0.30 0.00 0.02 0.00 0.00 55.97 54.85 2kd1 s LYS 102 Cb -0.11 -2.57 -0.05 0.00 -0.52 0.00 0.00 37.83 34.57 2kd1 s LYS 102 CO 0.18 0.19 1.35 -1.17 -0.92 0.00 0.00 175.35 174.98 2kd1 s LEU 103 N -3.98 4.32 1.35 3.17 2.96 -1.26 -5.05 118.68 120.19 2kd1 s LEU 103 Ca 0.39 2.07 -0.21 0.00 -0.22 0.00 0.00 54.13 56.16 2kd1 s LEU 103 Cb -0.07 -3.56 0.34 0.00 0.50 0.00 0.00 46.19 43.40 2kd1 s LEU 103 CO 0.27 -0.68 0.98 -2.16 -1.32 0.00 0.00 176.35 173.44 2kd1 s PRO 104 N 2.19 -2.34 -0.86 0.98 0.04 -1.26 -4.85 135.00 128.90 2kd1 s PRO 104 Ca 0.62 0.16 -0.25 0.00 0.04 0.00 0.00 61.00 61.57 2kd1 s PRO 104 Cb -0.30 -1.44 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 2kd1 s PRO 104 CO 0.26 -4.50 2.12 0.15 0.04 0.00 0.00 177.00 175.07 2kd1 s LYS 105 N -5.09 2.20 0.00 4.56 1.02 -1.26 -4.52 119.74 116.66 2kd1 s LYS 105 Ca 0.69 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.67 2kd1 s LYS 105 Cb -0.14 -4.96 0.00 0.00 -0.52 0.00 0.00 37.83 32.21 2kd1 s LYS 105 CO 0.58 -3.78 0.62 0.00 -0.92 0.00 0.00 175.35 171.86 2kd1 n ALA 106 N 15.72 2.32 -2.90 5.17 0.00 -1.26 -5.01 120.51 134.55 2kd1 n ALA 106 Ca 0.43 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 2kd1 n ALA 106 Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.27 0.03 -1.11 0.00 2.15 -1.26 -5.01 116.67 111.20 2kd1 s ASP 107 Ca 0.00 -0.06 -0.23 0.00 0.43 0.00 0.00 52.55 52.69 2kd1 s ASP 107 Cb 0.00 0.03 -0.06 0.00 -0.30 0.00 0.00 42.92 42.59 2kd1 s ASP 107 CO 0.00 -0.05 1.92 -1.59 -0.17 0.00 0.00 175.17 175.27 2kd1 s LYS 108 N -0.23 2.61 -0.03 4.34 0.00 -1.26 -4.95 119.74 120.22 2kd1 s LYS 108 Ca -0.03 -0.96 -0.17 0.00 0.00 0.00 0.00 55.97 54.81 2kd1 s LYS 108 Cb -0.02 -5.21 -0.05 0.00 0.00 0.00 0.00 37.83 32.55 2kd1 s LYS 108 CO -0.00 -3.69 0.48 -1.21 0.00 0.00 0.00 175.35 170.93 2kd1 s GLU 109 N 6.47 4.16 0.00 1.78 2.02 -1.26 -4.96 118.70 126.91 2kd1 s GLU 109 Ca 0.68 0.51 0.28 0.00 0.02 0.00 0.00 54.97 56.46 2kd1 s GLU 109 Cb -0.02 -3.31 1.21 0.00 0.10 0.00 0.00 34.13 32.11 2kd1 s GLU 109 CO 0.08 0.46 1.91 0.39 0.02 0.00 0.00 175.26 178.12 2kd1 n GLU 110 N 2.55 0.01 -0.17 1.61 -0.58 -1.26 -2.65 120.64 120.15 2kd1 n GLU 110 Ca -0.10 0.01 -0.04 0.00 -0.42 0.00 0.00 57.16 56.61 2kd1 n GLU 110 Cb 0.52 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 30.03 2kd1 n GLU 110 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2kd1 h LEU 111 N 0.00 0.88 -1.39 -4.62 3.38 -1.99 -2.98 115.31 108.58 2kd1 h LEU 111 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kd1 h LEU 111 Cb 0.48 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2kd1 h LEU 111 CO 0.00 0.85 0.00 -0.62 0.09 0.00 0.00 178.44 178.76 2kd1 n GLU 112 N -4.26 1.82 -1.89 1.13 -0.58 -1.08 -4.85 120.64 110.93 2kd1 n GLU 112 Ca 0.04 -0.73 -0.43 0.00 -0.42 0.00 0.00 57.16 55.62 2kd1 n GLU 112 Cb 0.24 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 2kd1 n GLU 112 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kd1 s HIS 113 N -1.50 1.62 0.42 -0.32 5.65 -1.13 -4.99 115.29 115.04 2kd1 s HIS 113 Ca 0.13 0.63 -0.24 0.00 0.25 0.00 0.00 55.06 55.83 2kd1 s HIS 113 Cb 0.09 -4.06 -0.08 0.00 -1.18 0.00 0.00 32.58 27.35 2kd1 s HIS 113 CO 0.05 -3.21 1.14 -1.58 -0.65 0.00 0.00 174.74 170.49 2kd1 s HIS 114 N 7.48 3.05 -0.91 3.88 2.46 -1.26 -4.90 115.29 125.09 2kd1 s HIS 114 Ca 0.85 1.57 -0.25 0.00 0.47 0.00 0.00 55.06 57.70 2kd1 s HIS 114 Cb -0.25 -3.32 -0.12 0.00 -0.13 0.00 0.00 32.58 28.76 2kd1 s HIS 114 CO 0.33 -1.21 2.18 -1.58 -2.47 0.00 0.00 174.74 171.99 2kd1 s HIS 115 N -1.52 1.43 -0.31 3.88 2.46 -1.26 -4.76 115.29 115.20 2kd1 s HIS 115 Ca 0.60 1.49 0.04 0.00 0.47 0.00 0.00 55.06 57.66 2kd1 s HIS 115 Cb -0.28 -3.65 0.17 0.00 -0.13 0.00 0.00 32.58 28.69 2kd1 s HIS 115 CO 0.34 -1.45 0.49 -1.01 -2.47 0.00 0.00 174.74 170.65 2kd1 s HIS 116 N 13.40 -1.29 0.30 3.88 3.76 -1.26 -5.04 115.29 129.03 2kd1 s HIS 116 Ca 0.82 0.43 0.03 0.00 -0.15 0.00 0.00 55.06 56.19 2kd1 s HIS 116 Cb -0.09 0.02 0.48 0.00 1.11 0.00 0.00 32.58 34.10 2kd1 s HIS 116 CO 0.07 -1.04 1.78 1.25 -0.85 0.00 0.00 174.74 175.95 2kd1 h HIS 117 N 7.86 0.55 -0.01 1.40 2.76 -2.03 -3.53 115.15 122.15 2kd1 h HIS 117 Ca -0.03 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2kd1 h HIS 117 Cb 1.14 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.96 2kd1 h HIS 117 CO 0.26 0.64 0.00 0.72 -1.30 0.00 0.00 177.93 178.25