#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 4.12 -0.85 3.17 8.01 -1.26 -4.88 118.70 127.02 2kd1 s GLU 2 Ca 0.00 1.90 -0.23 0.00 0.01 0.00 0.00 54.97 56.65 2kd1 s GLU 2 Cb 0.00 -2.76 -0.18 0.00 -4.31 0.00 0.00 34.13 26.88 2kd1 s GLU 2 CO 0.00 -0.28 2.24 -2.30 0.01 0.00 0.00 175.26 174.93 2kd1 n PRO 3 N 0.23 0.35 -2.69 0.39 -0.02 -1.26 -4.85 135.00 127.15 2kd1 n PRO 3 Ca 0.03 -0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 60.19 2kd1 n PRO 3 Cb 0.46 -3.28 -0.01 0.00 -0.02 0.00 0.00 33.50 30.65 2kd1 n PRO 3 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2kd1 s SER 4 N 8.43 6.78 0.32 2.55 1.04 -1.26 -4.80 113.70 126.75 2kd1 s SER 4 Ca 0.91 -2.27 0.15 0.00 0.48 0.00 0.00 55.95 55.21 2kd1 s SER 4 Cb -0.20 -2.52 0.47 0.00 0.10 0.00 0.00 66.02 63.87 2kd1 s SER 4 CO 0.16 -1.15 1.65 0.11 0.98 0.00 0.00 173.24 174.99 2kd1 h LYS 5 N 8.18 0.00 -6.45 4.02 1.79 -1.99 -3.44 116.57 118.69 2kd1 h LYS 5 Ca 0.32 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.23 2kd1 h LYS 5 Cb 0.92 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.52 2kd1 h LYS 5 CO 1.36 0.51 1.04 -1.17 -1.08 0.00 0.00 179.45 180.11 2kd1 s LEU 6 N -7.23 3.71 0.77 2.94 2.96 -1.26 -5.02 118.68 115.54 2kd1 s LEU 6 Ca -0.00 1.02 -0.11 0.00 -0.22 0.00 0.00 54.13 54.82 2kd1 s LEU 6 Cb 0.11 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.32 2kd1 s LEU 6 CO 0.73 -1.30 1.08 -0.44 -1.32 0.00 0.00 176.35 175.10 2kd1 s SER 7 N 3.55 4.65 0.14 3.68 0.01 -1.26 -3.19 113.70 121.28 2kd1 s SER 7 Ca 0.60 1.66 -0.14 0.00 1.31 0.00 0.00 55.95 59.37 2kd1 s SER 7 Cb -0.15 -2.41 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2kd1 s SER 7 CO 0.29 -1.91 1.67 0.22 0.41 0.00 0.00 173.24 173.91 2kd1 h TYR 8 N -1.05 0.73 -0.34 2.43 3.20 -1.52 -0.83 116.97 119.60 2kd1 h TYR 8 Ca -0.45 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.28 2kd1 h TYR 8 Cb 1.24 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 2kd1 h TYR 8 CO 0.56 0.65 -0.08 0.78 -1.64 0.00 0.00 178.16 178.43 2kd1 h GLY 9 N 0.60 0.61 1.23 1.82 0.00 -1.28 0.14 103.07 106.20 2kd1 h GLY 9 Ca 0.15 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 2kd1 h GLY 9 CO -0.01 0.39 -0.43 0.83 0.00 0.00 0.00 176.54 177.32 2kd1 h GLU 10 N 0.53 0.83 -0.83 4.80 4.39 -1.74 -2.95 114.58 119.61 2kd1 h GLU 10 Ca 0.10 -0.46 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 2kd1 h GLU 10 Cb 0.47 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 2kd1 h GLU 10 CO 0.03 1.10 0.39 -0.92 -1.16 0.00 0.00 179.01 178.44 2kd1 h TYR 11 N 0.67 1.21 -0.12 4.33 3.20 -0.63 -3.02 116.97 122.60 2kd1 h TYR 11 Ca 0.04 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 2kd1 h TYR 11 Cb 1.01 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2kd1 h TYR 11 CO 0.06 0.87 -0.21 -0.07 -1.64 0.00 0.00 178.16 177.18 2kd1 h LEU 12 N 1.19 0.19 -0.27 2.82 3.38 -0.82 0.10 115.31 121.90 2kd1 h LEU 12 Ca 0.29 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 2kd1 h LEU 12 Cb 0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2kd1 h LEU 12 CO -0.03 0.41 -0.28 -0.33 0.09 0.00 0.00 178.44 178.30 2kd1 h GLU 13 N 0.18 0.67 -0.04 1.13 4.39 -1.41 -1.62 114.58 117.88 2kd1 h GLU 13 Ca 0.03 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.33 2kd1 h GLU 13 Cb 0.48 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2kd1 h GLU 13 CO 0.03 0.97 -0.14 1.03 -1.16 0.00 0.00 179.01 179.74 2kd1 h SER 14 N 0.41 0.20 -0.48 1.42 0.87 -1.36 -1.57 113.55 113.04 2kd1 h SER 14 Ca 0.04 -0.63 0.08 0.00 -1.23 0.00 0.00 61.79 60.05 2kd1 h SER 14 Cb 0.85 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.69 2kd1 h SER 14 CO 0.07 0.79 0.10 -0.25 -0.53 0.00 0.00 176.83 177.01 2kd1 h TRP 15 N -0.38 0.15 -0.26 2.24 7.01 -0.90 -1.54 115.95 122.27 2kd1 h TRP 15 Ca -0.01 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.04 2kd1 h TRP 15 Cb 0.78 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.82 2kd1 h TRP 15 CO 0.14 -0.00 0.11 0.35 -2.79 0.00 0.00 178.44 176.24 2kd1 h PHE 16 N 0.23 0.20 -0.30 2.65 3.57 -1.28 0.13 116.94 122.14 2kd1 h PHE 16 Ca 0.24 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 2kd1 h PHE 16 Cb 0.31 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2kd1 h PHE 16 CO -0.22 0.10 0.01 -0.97 -2.23 0.00 0.00 178.31 175.00 2kd1 h ASN 17 N 0.24 0.42 -0.24 0.41 -1.24 -0.72 -0.27 115.58 114.18 2kd1 h ASN 17 Ca 0.11 -0.07 -0.17 0.00 0.71 0.00 0.00 56.30 56.88 2kd1 h ASN 17 Cb 0.06 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.00 2kd1 h ASN 17 CO -0.10 0.48 -0.53 0.74 -1.29 0.00 0.00 177.43 176.74 2kd1 h THR 18 N 0.44 1.29 0.00 -3.57 2.02 -1.11 -3.33 112.91 108.65 2kd1 h THR 18 Ca 0.10 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.55 2kd1 h THR 18 Cb 0.28 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2kd1 h THR 18 CO 0.01 0.55 0.00 0.50 0.37 0.00 0.00 175.52 176.95 2kd1 h LYS 19 N 0.53 0.00 -0.89 6.66 1.63 0.48 -2.92 116.57 122.05 2kd1 h LYS 19 Ca 0.00 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 59.97 2kd1 h LYS 19 Cb 1.14 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.67 2kd1 h LYS 19 CO 0.12 0.00 0.47 0.00 -3.45 0.00 0.00 179.45 176.58 2kd1 h ARG 20 N 0.00 0.60 0.00 1.90 3.08 -1.22 -0.66 114.38 118.08 2kd1 h ARG 20 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2kd1 h ARG 20 Cb 0.77 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2kd1 h ARG 20 CO 0.00 0.40 0.00 0.45 -1.07 0.00 0.00 179.97 179.75 2kd1 h HIS 21 N 0.62 0.00 0.00 3.04 3.86 -1.74 -2.85 115.15 118.08 2kd1 h HIS 21 Ca 0.50 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.37 2kd1 h HIS 21 Cb 0.77 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.17 2kd1 h HIS 21 CO -0.08 0.00 -2.16 0.43 0.86 0.00 0.00 177.93 176.98 2kd1 n SER 22 N -2.92 0.31 -4.85 2.45 7.64 -0.35 -5.02 113.62 110.88 2kd1 n SER 22 Ca -0.01 0.14 -0.24 0.00 1.01 0.00 0.00 58.87 59.77 2kd1 n SER 22 Cb 0.18 0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.97 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 -2.53 2.15 0.84 0.44 -7.23 -0.65 -5.15 120.40 108.28 2kd1 s VAL 23 Ca -0.08 -1.50 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 2kd1 s VAL 23 Cb 0.07 -2.66 0.10 0.00 0.56 0.00 0.00 36.38 34.45 2kd1 s VAL 23 CO 0.83 0.00 1.17 -0.83 -0.31 0.00 0.00 175.10 175.95 2kd1 s GLY 24 N -4.12 1.59 0.09 2.32 0.00 -1.26 -4.83 107.32 101.10 2kd1 s GLY 24 Ca 0.40 -0.61 -0.18 0.00 0.00 0.00 0.00 44.72 44.33 2kd1 s GLY 24 CO 0.24 -0.10 1.51 -2.22 0.00 0.00 0.00 173.10 172.52 2kd1 h ILE 25 N -1.21 1.27 -0.49 0.90 1.08 -1.99 -0.10 117.51 116.97 2kd1 h ILE 25 Ca -0.47 -0.97 -0.12 0.00 -0.39 0.00 0.00 64.86 62.91 2kd1 h ILE 25 Cb 1.33 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 36.44 2kd1 h ILE 25 CO 0.64 0.31 -0.15 0.06 -0.69 0.00 0.00 178.15 178.32 2kd1 h GLN 26 N 0.25 0.94 -0.62 2.37 3.07 -2.00 -2.35 115.11 116.77 2kd1 h GLN 26 Ca 0.07 -0.36 -0.08 0.00 0.09 0.00 0.00 58.65 58.37 2kd1 h GLN 26 Cb 0.46 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.94 2kd1 h GLN 26 CO 0.02 1.02 0.07 1.15 0.09 0.00 0.00 178.83 181.18 2kd1 h THR 27 N 0.83 1.26 -0.64 1.86 2.02 -1.92 -2.55 112.91 113.77 2kd1 h THR 27 Ca 0.12 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.21 2kd1 h THR 27 Cb 0.70 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2kd1 h THR 27 CO 0.05 0.39 0.25 0.00 0.37 0.00 0.00 175.52 176.58 2kd1 h ALA 28 N 1.10 0.84 -0.97 6.16 0.00 -0.90 -1.62 119.26 123.86 2kd1 h ALA 28 Ca 0.19 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2kd1 h ALA 28 Cb 0.46 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2kd1 h ALA 28 CO 0.02 0.46 0.63 -0.22 0.00 0.00 0.00 179.25 180.14 2kd1 h LYS 29 N 0.91 1.08 -0.03 0.00 3.11 -1.20 -1.67 116.57 118.77 2kd1 h LYS 29 Ca 0.21 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.97 2kd1 h LYS 29 Cb 0.22 -0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 2kd1 h LYS 29 CO -0.02 0.71 -0.04 0.28 -2.81 0.00 0.00 179.45 177.58 2kd1 h VAL 30 N 1.11 1.41 -0.52 2.00 2.07 -0.99 -2.17 116.25 119.16 2kd1 h VAL 30 Ca 0.43 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 2kd1 h VAL 30 Cb 0.21 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2kd1 h VAL 30 CO -0.17 0.34 -0.05 -0.07 0.02 0.00 0.00 177.57 177.64 2kd1 h LEU 31 N -0.41 0.91 -0.56 2.57 3.38 -1.19 -2.66 115.31 117.34 2kd1 h LEU 31 Ca 0.00 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 2kd1 h LEU 31 Cb 0.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2kd1 h LEU 31 CO 0.01 1.00 -0.64 0.50 0.09 0.00 0.00 178.44 179.39 2kd1 h LYS 32 N 0.84 0.31 -0.20 1.13 3.64 -1.38 -2.96 116.57 117.96 2kd1 h LYS 32 Ca 0.15 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2kd1 h LYS 32 Cb 0.57 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2kd1 h LYS 32 CO 0.03 0.85 0.09 0.78 -2.27 0.00 0.00 179.45 178.93 2kd1 h GLY 33 N 1.40 0.29 0.95 5.01 0.00 -1.06 -0.49 103.07 109.17 2kd1 h GLY 33 Ca -0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 2kd1 h GLY 33 CO 0.10 0.12 -0.09 -0.97 0.00 0.00 0.00 176.54 175.70 2kd1 h TYR 34 N 0.27 0.80 0.45 5.60 0.05 -1.33 -3.16 116.97 119.65 2kd1 h TYR 34 Ca 0.07 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 2kd1 h TYR 34 Cb 0.05 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.60 2kd1 h TYR 34 CO 0.00 0.86 -0.22 -0.07 -1.05 0.00 0.00 178.16 177.68 2kd1 h LEU 35 N 0.51 -0.51 -1.70 3.88 3.38 -1.15 -1.97 115.31 117.75 2kd1 h LEU 35 Ca 0.09 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2kd1 h LEU 35 Cb 0.60 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2kd1 h LEU 35 CO 0.04 -0.23 -0.18 -0.55 0.09 0.00 0.00 178.44 177.61 2kd1 h ASN 36 N -0.86 0.00 0.05 -0.43 7.08 -1.29 0.11 115.58 120.23 2kd1 h ASN 36 Ca -0.06 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 52.95 2kd1 h ASN 36 Cb 0.46 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.69 2kd1 h ASN 36 CO 0.10 0.18 -1.10 -1.28 -2.08 0.00 0.00 177.43 173.25 2kd1 h SER 37 N 0.00 0.16 0.00 6.14 0.87 -1.65 -3.40 113.55 115.67 2kd1 h SER 37 Ca -0.00 -0.75 -0.14 0.00 -1.23 0.00 0.00 61.79 59.67 2kd1 h SER 37 Cb 0.35 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2kd1 h SER 37 CO 0.02 1.46 -1.30 0.54 -0.53 0.00 0.00 176.83 177.03 2kd1 n ARG 38 N -4.24 0.53 -0.04 2.24 5.12 -0.74 -4.66 116.66 114.87 2kd1 n ARG 38 Ca -0.25 0.35 -0.14 0.00 -1.93 0.00 0.00 57.85 55.88 2kd1 n ARG 38 Cb 0.74 -1.55 -0.11 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 1.57 -0.47 0.55 5.03 -0.87 -3.34 117.51 118.98 2kd1 h ILE 39 Ca -0.22 -1.70 0.07 0.00 -0.12 0.00 0.00 64.86 62.89 2kd1 h ILE 39 Cb 1.08 2.71 -0.06 0.00 -3.03 0.00 0.00 36.82 37.52 2kd1 h ILE 39 CO -0.13 0.44 0.12 0.40 -0.68 0.00 0.00 178.15 178.30 2kd1 h ILE 40 N -0.69 0.77 0.00 -0.67 5.03 -1.23 0.49 117.51 121.22 2kd1 h ILE 40 Ca -0.00 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.65 2kd1 h ILE 40 Cb 0.74 0.49 0.00 0.00 -3.03 0.00 0.00 36.82 35.02 2kd1 h ILE 40 CO 0.00 0.05 0.00 -0.81 -0.68 0.00 0.00 178.15 176.71 2kd1 n PRO 41 N -5.08 0.12 0.00 2.37 -0.04 -1.26 -2.88 135.00 128.24 2kd1 n PRO 41 Ca 0.05 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2kd1 n PRO 41 Cb 0.21 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 2kd1 n PRO 41 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kd1 n SER 42 N -1.96 0.00 0.03 3.54 7.64 -0.30 -4.89 113.62 117.69 2kd1 n SER 42 Ca 0.03 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.02 2kd1 n SER 42 Cb 0.22 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2kd1 n SER 42 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kd1 n LEU 43 N -2.03 0.57 -0.09 -3.43 4.77 0.16 -4.38 117.00 112.57 2kd1 n LEU 43 Ca 0.00 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 2kd1 n LEU 43 Cb 0.00 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 2kd1 n LEU 43 CO 0.00 0.02 0.76 1.23 -1.33 0.00 0.00 177.39 178.08 2kd1 h GLY 44 N 4.42 0.50 2.00 -0.72 0.00 -1.01 -2.70 103.07 105.55 2kd1 h GLY 44 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2kd1 h GLY 44 CO 0.00 0.34 -0.12 3.43 0.00 0.00 0.00 176.54 180.19 2kd1 h ASN 45 N 0.24 0.00 -3.83 0.19 -0.26 -1.74 -0.46 115.58 109.72 2kd1 h ASN 45 Ca 0.07 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.30 2kd1 h ASN 45 Cb 0.42 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.71 2kd1 h ASN 45 CO 0.01 0.12 0.52 -0.63 -1.06 0.00 0.00 177.43 176.39 2kd1 s ILE 46 N -3.71 3.27 0.35 2.81 1.01 -1.02 -4.91 121.20 119.00 2kd1 s ILE 46 Ca 0.00 1.27 -0.28 0.00 0.00 0.00 0.00 60.65 61.65 2kd1 s ILE 46 Cb 0.10 -3.81 -0.10 0.00 0.01 0.00 0.00 42.46 38.66 2kd1 s ILE 46 CO 0.59 0.30 1.28 -0.54 0.00 0.00 0.00 174.94 176.57 2kd1 s LYS 47 N -1.57 4.28 0.27 2.79 -0.14 -1.26 -2.04 119.74 122.08 2kd1 s LYS 47 Ca 0.46 2.15 -0.00 0.00 -1.36 0.00 0.00 55.97 57.22 2kd1 s LYS 47 Cb -0.34 -2.99 0.59 0.00 -1.68 0.00 0.00 37.83 33.41 2kd1 s LYS 47 CO 0.44 -0.23 1.72 1.25 -0.76 0.00 0.00 175.35 177.78 2kd1 h LEU 48 N 3.22 0.36 -0.09 3.17 5.85 -1.77 0.11 115.31 126.16 2kd1 h LEU 48 Ca -0.49 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.28 2kd1 h LEU 48 Cb 1.23 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2kd1 h LEU 48 CO 0.65 0.09 -0.37 0.00 -0.34 0.00 0.00 178.44 178.47 2kd1 h ALA 49 N 1.62 0.77 -0.00 1.25 0.00 -1.88 -3.18 119.26 117.84 2kd1 h ALA 49 Ca 0.49 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kd1 h ALA 49 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kd1 h ALA 49 CO -0.45 0.46 -0.07 1.63 0.00 0.00 0.00 179.25 180.83 2kd1 n LYS 50 N -3.21 0.48 -1.70 0.00 4.76 -0.02 -4.69 118.16 113.77 2kd1 n LYS 50 Ca 0.02 -0.09 -0.23 0.00 -2.87 0.00 0.00 58.31 55.15 2kd1 n LYS 50 Cb 0.67 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.59 3.07 0.57 -0.35 1.02 -0.91 -4.91 118.68 114.58 2kd1 s LEU 51 Ca 0.27 0.16 -0.05 0.00 0.02 0.00 0.00 54.13 54.53 2kd1 s LEU 51 Cb 0.20 -2.54 0.01 0.00 0.02 0.00 0.00 46.19 43.88 2kd1 s LEU 51 CO 0.48 -3.34 0.86 0.28 0.02 0.00 0.00 176.35 174.65 2kd1 s THR 52 N 12.92 3.66 0.33 5.49 -1.32 -1.26 -4.69 115.64 130.77 2kd1 s THR 52 Ca 0.87 -0.12 0.27 0.00 -1.21 0.00 0.00 61.69 61.50 2kd1 s THR 52 Cb -0.13 -3.43 0.28 0.00 -1.51 0.00 0.00 72.50 67.71 2kd1 s THR 52 CO 0.11 -0.42 2.00 -1.28 -2.21 0.00 0.00 174.62 172.82 2kd1 h SER 53 N -0.07 0.00 -0.53 8.08 0.87 -1.93 -1.47 113.55 118.50 2kd1 h SER 53 Ca -0.45 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.05 2kd1 h SER 53 Cb 1.26 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 2kd1 h SER 53 CO 0.60 0.15 0.14 0.25 -0.53 0.00 0.00 176.83 177.44 2kd1 h LEU 54 N 0.00 0.84 -0.90 2.23 5.85 -1.94 -1.91 115.31 119.48 2kd1 h LEU 54 Ca -0.00 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 2kd1 h LEU 54 Cb 0.46 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2kd1 h LEU 54 CO 0.02 0.82 0.14 0.45 -0.34 0.00 0.00 178.44 179.53 2kd1 h HIS 55 N 0.86 0.99 -0.55 1.25 3.86 -1.65 -0.41 115.15 119.51 2kd1 h HIS 55 Ca 0.19 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2kd1 h HIS 55 Cb 0.31 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 2kd1 h HIS 55 CO 0.02 0.82 0.19 0.52 0.86 0.00 0.00 177.93 180.35 2kd1 h MET 56 N 0.91 0.85 -0.33 2.45 2.86 -1.38 -1.89 114.93 118.40 2kd1 h MET 56 Ca 0.19 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2kd1 h MET 56 Cb 0.33 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2kd1 h MET 56 CO 0.00 0.75 0.02 0.37 1.06 0.00 0.00 176.91 179.12 2kd1 h GLN 57 N 0.76 0.56 -0.30 1.72 5.75 -0.98 -1.47 115.11 121.15 2kd1 h GLN 57 Ca 0.18 -0.17 -0.08 0.00 -0.15 0.00 0.00 58.65 58.44 2kd1 h GLN 57 Cb 0.25 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 2kd1 h GLN 57 CO -0.01 0.67 -0.13 -0.91 -2.65 0.00 0.00 178.83 175.80 2kd1 h ASN 58 N 0.37 0.51 -0.17 -0.69 2.35 -1.03 0.79 115.58 117.71 2kd1 h ASN 58 Ca 0.10 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2kd1 h ASN 58 Cb 0.40 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2kd1 h ASN 58 CO 0.01 0.67 0.08 0.22 -1.65 0.00 0.00 177.43 176.77 2kd1 h TYR 59 N 0.48 0.24 -0.39 1.19 3.20 -1.21 -1.74 116.97 118.75 2kd1 h TYR 59 Ca 0.09 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 2kd1 h TYR 59 Cb 0.52 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2kd1 h TYR 59 CO 0.02 0.27 0.06 0.28 -1.64 0.00 0.00 178.16 177.14 2kd1 h VAL 60 N 0.14 1.19 -0.42 1.81 2.07 -0.63 -1.29 116.25 119.12 2kd1 h VAL 60 Ca 0.06 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 2kd1 h VAL 60 Cb 0.12 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2kd1 h VAL 60 CO -0.01 0.25 -0.09 0.78 0.02 0.00 0.00 177.57 178.52 2kd1 h ASN 61 N 0.56 0.71 0.38 0.57 2.35 -0.71 -2.31 115.58 117.14 2kd1 h ASN 61 Ca 0.13 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 2kd1 h ASN 61 Cb 0.27 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2kd1 h ASN 61 CO 0.00 0.84 -0.54 0.28 -1.65 0.00 0.00 177.43 176.36 2kd1 h SER 62 N 0.67 0.19 -0.34 5.81 0.02 -0.57 -0.09 113.55 119.24 2kd1 h SER 62 Ca 0.12 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2kd1 h SER 62 Cb 0.55 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2kd1 h SER 62 CO 0.03 0.70 0.07 -0.07 -1.14 0.00 0.00 176.83 176.42 2kd1 h LEU 63 N 0.13 0.52 -0.68 5.07 3.38 -0.88 -1.60 115.31 121.26 2kd1 h LEU 63 Ca 0.00 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 2kd1 h LEU 63 Cb 1.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2kd1 h LEU 63 CO 0.08 0.63 -0.55 -0.09 0.09 0.00 0.00 178.44 178.60 2kd1 h ARG 64 N 0.39 0.00 -0.47 1.13 2.43 -1.38 -0.81 114.38 115.68 2kd1 h ARG 64 Ca 0.10 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 2kd1 h ARG 64 Cb 0.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2kd1 h ARG 64 CO 0.00 0.55 -0.16 0.22 -1.51 0.00 0.00 179.97 179.08 2kd1 h ASP 65 N 0.00 0.90 0.99 -3.80 3.58 -0.75 -1.49 116.42 115.86 2kd1 h ASP 65 Ca -0.01 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2kd1 h ASP 65 Cb 1.12 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2kd1 h ASP 65 CO 0.07 1.05 0.00 -0.62 -2.88 0.00 0.00 179.24 176.86 2kd1 n GLU 66 N -4.13 0.01 -1.50 0.28 -0.58 -0.62 -4.93 120.64 109.16 2kd1 n GLU 66 Ca 0.01 0.01 -0.07 0.00 -0.42 0.00 0.00 57.16 56.69 2kd1 n GLU 66 Cb 0.41 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 2kd1 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kd1 n GLY 67 N 1.44 0.67 3.71 0.62 0.00 -0.56 -5.00 105.19 106.08 2kd1 n GLY 67 Ca 0.07 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 2kd1 n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kd1 n LEU 68 N -0.90 5.30 -4.76 0.99 4.77 -0.34 -4.98 117.00 117.07 2kd1 n LEU 68 Ca -0.08 0.91 -0.39 0.00 -0.03 0.00 0.00 56.01 56.42 2kd1 n LEU 68 Cb 0.34 -1.53 -0.05 0.00 -2.33 0.00 0.00 43.42 39.84 2kd1 n LEU 68 CO 0.11 -0.93 0.70 -1.59 -1.33 0.00 0.00 177.39 174.35 2kd1 s LYS 69 N -2.98 4.67 0.50 3.23 -2.85 -1.26 -4.79 119.74 116.26 2kd1 s LYS 69 Ca 0.75 1.56 0.33 0.00 -1.00 0.00 0.00 55.97 57.62 2kd1 s LYS 69 Cb -0.41 -3.08 1.75 0.00 -2.06 0.00 0.00 37.83 34.03 2kd1 s LYS 69 CO 0.46 0.31 2.02 0.07 0.10 0.00 0.00 175.35 178.32 2kd1 h ARG 70 N 3.69 0.00 0.42 1.78 0.11 -1.92 -1.07 114.38 117.38 2kd1 h ARG 70 Ca -0.46 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.60 2kd1 h ARG 70 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2kd1 h ARG 70 CO 0.66 0.00 -0.20 0.78 0.10 0.00 0.00 179.97 181.31 2kd1 h GLY 71 N 0.38 -0.59 0.99 0.08 0.00 -1.93 0.17 103.07 102.16 2kd1 h GLY 71 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 2kd1 h GLY 71 CO 0.00 -0.22 0.05 -0.84 0.00 0.00 0.00 176.54 175.53 2kd1 h THR 72 N -0.57 1.26 -0.95 4.70 2.02 -1.63 -2.89 112.91 114.86 2kd1 h THR 72 Ca -0.06 -0.98 0.03 0.00 0.77 0.00 0.00 66.41 66.17 2kd1 h THR 72 Cb 0.44 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 2kd1 h THR 72 CO 0.09 0.35 0.62 0.40 0.37 0.00 0.00 175.52 177.35 2kd1 h ILE 73 N 0.69 1.18 0.43 3.11 2.04 -1.34 -1.68 117.51 121.95 2kd1 h ILE 73 Ca 0.14 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2kd1 h ILE 73 Cb 0.44 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2kd1 h ILE 73 CO 0.02 0.22 -0.28 -0.08 0.00 0.00 0.00 178.15 178.03 2kd1 h GLU 74 N 1.21 -0.66 -0.36 2.37 4.81 -0.82 -2.58 114.58 118.55 2kd1 h GLU 74 Ca 0.37 0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.50 2kd1 h GLU 74 Cb -0.03 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2kd1 h GLU 74 CO -0.11 -0.44 -0.35 0.87 -0.73 0.00 0.00 179.01 178.25 2kd1 h LYS 75 N -0.69 0.82 -0.43 1.92 1.57 -1.28 -1.00 116.57 117.48 2kd1 h LYS 75 Ca -0.05 -0.40 -0.12 0.00 -1.87 0.00 0.00 60.65 58.21 2kd1 h LYS 75 Cb 0.57 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2kd1 h LYS 75 CO 0.04 1.04 -0.20 -0.84 -0.57 0.00 0.00 179.45 178.91 2kd1 h ILE 76 N 0.68 1.27 -0.39 1.86 3.07 -1.36 -2.04 117.51 120.60 2kd1 h ILE 76 Ca 0.07 -1.33 -0.09 0.00 1.55 0.00 0.00 64.86 65.05 2kd1 h ILE 76 Cb 0.90 1.16 -0.02 0.00 -0.27 0.00 0.00 36.82 38.59 2kd1 h ILE 76 CO 0.08 0.45 -0.15 0.40 -1.05 0.00 0.00 178.15 177.89 2kd1 h ILE 77 N 0.74 1.26 -0.73 0.16 1.08 -1.23 -2.25 117.51 116.54 2kd1 h ILE 77 Ca 0.10 -1.19 -0.01 0.00 -0.39 0.00 0.00 64.86 63.37 2kd1 h ILE 77 Cb 0.73 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 2kd1 h ILE 77 CO 0.06 0.40 0.42 0.11 -0.69 0.00 0.00 178.15 178.45 2kd1 h LYS 78 N 0.64 1.00 -0.50 2.37 1.79 -0.78 -0.39 116.57 120.71 2kd1 h LYS 78 Ca 0.11 -0.11 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2kd1 h LYS 78 Cb 0.61 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 2kd1 h LYS 78 CO 0.04 0.73 0.01 0.28 -1.08 0.00 0.00 179.45 179.44 2kd1 h VAL 79 N 1.00 1.26 -0.04 0.50 2.07 -1.26 -1.21 116.25 118.57 2kd1 h VAL 79 Ca 0.26 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2kd1 h VAL 79 Cb 0.01 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2kd1 h VAL 79 CO -0.04 0.37 0.03 0.40 0.02 0.00 0.00 177.57 178.34 2kd1 h ILE 80 N 0.74 1.02 -0.23 4.57 2.04 -1.08 -1.01 117.51 123.54 2kd1 h ILE 80 Ca 0.14 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2kd1 h ILE 80 Cb 0.50 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2kd1 h ILE 80 CO 0.02 0.01 0.15 0.03 0.00 0.00 0.00 178.15 178.37 2kd1 h ARG 81 N 0.05 0.31 -0.18 2.37 3.08 -1.02 -1.38 114.38 117.60 2kd1 h ARG 81 Ca 0.01 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2kd1 h ARG 81 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2kd1 h ARG 81 CO -0.00 0.21 -0.34 -0.97 -1.07 0.00 0.00 179.97 177.79 2kd1 h ASN 82 N 0.31 0.40 0.14 7.04 -0.00 -1.15 0.98 115.58 123.31 2kd1 h ASN 82 Ca 0.09 -0.15 -0.01 0.00 -0.00 0.00 0.00 56.30 56.23 2kd1 h ASN 82 Cb -0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 38.32 38.18 2kd1 h ASN 82 CO -0.02 0.72 -0.07 0.28 -0.00 0.00 0.00 177.43 178.34 2kd1 h SER 83 N 0.33 -0.16 0.68 1.15 0.02 -1.02 -2.87 113.55 111.68 2kd1 h SER 83 Ca 0.04 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2kd1 h SER 83 Cb 0.76 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 2kd1 h SER 83 CO 0.06 0.09 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.63 2kd1 h LEU 84 N -0.41 0.00 -0.21 5.07 3.38 -0.91 -0.80 115.31 121.42 2kd1 h LEU 84 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2kd1 h LEU 84 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2kd1 h LEU 84 CO 0.03 0.13 0.09 -0.33 0.09 0.00 0.00 178.44 178.46 2kd1 h GLU 85 N 0.00 0.32 0.00 1.13 4.39 -0.78 -2.57 114.58 117.07 2kd1 h GLU 85 Ca -0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2kd1 h GLU 85 Cb 0.51 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2kd1 h GLU 85 CO 0.02 0.36 -0.12 1.25 -1.16 0.00 0.00 179.01 179.36 2kd1 h HIS 86 N 0.20 0.00 -0.08 4.33 2.76 -1.09 -1.76 115.15 119.51 2kd1 h HIS 86 Ca 0.07 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.07 2kd1 h HIS 86 Cb 0.16 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2kd1 h HIS 86 CO -0.01 0.12 -0.68 0.00 -1.30 0.00 0.00 177.93 176.06 2kd1 h ALA 87 N 1.88 0.68 -0.31 5.26 0.00 -1.13 -1.26 119.26 124.38 2kd1 h ALA 87 Ca -0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 2kd1 h ALA 87 Cb 0.82 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2kd1 h ALA 87 CO 0.02 0.76 -0.06 0.82 0.00 0.00 0.00 179.25 180.78 2kd1 h ILE 88 N 0.25 1.28 -0.57 0.00 2.04 -1.08 0.07 117.51 119.49 2kd1 h ILE 88 Ca -0.02 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 64.84 2kd1 h ILE 88 Cb 1.24 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 38.60 2kd1 h ILE 88 CO 0.11 0.35 0.23 -0.78 0.00 0.00 0.00 178.15 178.06 2kd1 h ASP 89 N 0.36 0.26 0.09 1.72 3.58 -1.26 -0.75 116.42 120.42 2kd1 h ASP 89 Ca 0.08 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2kd1 h ASP 89 Cb 0.53 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2kd1 h ASP 89 CO 0.03 0.17 -0.03 0.18 -2.88 0.00 0.00 179.24 176.71 2kd1 n LEU 90 N -4.97 0.65 -1.65 2.28 4.77 -0.48 -4.93 117.00 112.67 2kd1 n LEU 90 Ca 0.07 -0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.72 2kd1 n LEU 90 Cb 0.22 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2kd1 n LEU 90 CO 0.24 0.11 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.60 2kd1 n GLU 91 N -0.57 -1.23 0.06 3.23 1.02 -0.29 -4.88 120.64 117.98 2kd1 n GLU 91 Ca 0.20 0.86 -0.07 0.00 -0.02 0.00 0.00 57.16 58.13 2kd1 n GLU 91 Cb 0.24 -5.19 0.09 0.00 -0.02 0.00 0.00 31.44 26.56 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 0.37 -8.34 -4.62 3.38 -1.25 -3.44 115.31 101.42 2kd1 h LEU 92 Ca -0.36 -0.22 -0.34 0.00 0.09 0.00 0.00 57.88 57.05 2kd1 h LEU 92 Cb 1.21 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 41.65 2kd1 h LEU 92 CO 0.46 0.90 -0.75 0.27 0.09 0.00 0.00 178.44 179.40 2kd1 s ILE 93 N -3.78 0.88 -0.08 1.22 -4.36 -1.06 -4.83 121.20 109.18 2kd1 s ILE 93 Ca -0.05 -1.30 0.14 0.00 -0.26 0.00 0.00 60.65 59.18 2kd1 s ILE 93 Cb 0.12 -0.98 -0.12 0.00 1.25 0.00 0.00 42.46 42.73 2kd1 s ILE 93 CO 0.81 -0.35 1.00 0.71 0.24 0.00 0.00 174.94 177.35 2kd1 h THR 94 N 4.20 0.80 -3.47 8.37 1.35 -1.88 -3.33 112.91 118.96 2kd1 h THR 94 Ca -0.38 -2.36 -0.13 0.00 -0.55 0.00 0.00 66.41 62.99 2kd1 h THR 94 Cb 1.19 2.30 -0.20 0.00 -1.73 0.00 0.00 68.15 69.71 2kd1 h THR 94 CO 0.43 0.46 -0.45 -0.75 -0.25 0.00 0.00 175.52 174.96 2kd1 s LYS 95 N -2.85 0.55 0.17 4.72 2.20 -1.26 -4.96 119.74 118.31 2kd1 s LYS 95 Ca -0.01 -0.43 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 2kd1 s LYS 95 Cb 0.08 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 2kd1 s LYS 95 CO 0.80 -0.14 0.01 0.54 -0.36 0.00 0.00 175.35 176.20 2kd1 s ASN 96 N -1.53 4.82 0.00 1.43 2.20 -1.26 -4.97 114.94 115.64 2kd1 s ASN 96 Ca -0.13 -0.37 0.19 0.00 -0.94 0.00 0.00 52.86 51.61 2kd1 s ASN 96 Cb -0.06 -1.05 0.16 0.00 -2.00 0.00 0.00 41.25 38.30 2kd1 s ASN 96 CO 0.01 0.09 1.11 1.33 -2.94 0.00 0.00 177.10 176.70 2kd1 n VAL 97 N -0.10 0.01 0.04 3.54 0.24 -1.26 -4.38 118.33 116.42 2kd1 n VAL 97 Ca -0.10 -0.51 -0.03 0.00 -2.04 0.00 0.00 64.34 61.66 2kd1 n VAL 97 Cb 0.55 1.39 -0.09 0.00 -1.47 0.00 0.00 33.84 34.22 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 3.76 0.63 0.00 2.33 0.00 -1.93 -3.08 119.26 120.98 2kd1 h ALA 98 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2kd1 h ALA 98 Cb 0.80 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kd1 h ALA 98 CO 0.00 1.13 0.00 0.00 0.00 0.00 0.00 179.25 180.38 2kd1 n ALA 99 N -2.40 1.99 0.44 0.00 0.00 -1.26 -1.97 120.51 117.30 2kd1 n ALA 99 Ca -0.08 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.40 2kd1 n ALA 99 Cb 0.90 -1.33 0.23 0.00 0.00 0.00 0.00 19.45 19.25 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 -4.85 0.00 1.79 -1.78 -3.46 116.57 108.27 2kd1 h LYS 100 Ca 0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 2kd1 h LYS 100 Cb 0.30 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.67 2kd1 h LYS 100 CO 0.00 0.00 -0.67 0.99 -1.08 0.00 0.00 179.45 178.69 2kd1 s THR 101 N -3.18 3.61 0.53 -0.16 2.01 -0.83 -5.11 115.64 112.50 2kd1 s THR 101 Ca 0.07 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 2kd1 s THR 101 Cb 0.10 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.80 2kd1 s THR 101 CO 0.67 0.14 0.77 -1.59 -0.69 0.00 0.00 174.62 173.93 2kd1 s LYS 102 N 1.45 2.74 -0.12 4.92 -2.85 -1.26 -4.96 119.74 119.66 2kd1 s LYS 102 Ca 0.02 -0.55 -0.29 0.00 -1.00 0.00 0.00 55.97 54.15 2kd1 s LYS 102 Cb -0.17 -2.46 -0.05 0.00 -2.06 0.00 0.00 37.83 33.09 2kd1 s LYS 102 CO 0.00 -0.60 1.81 -1.17 0.10 0.00 0.00 175.35 175.50 2kd1 s LEU 103 N -4.75 4.06 0.54 2.77 2.96 -1.26 -5.00 118.68 118.00 2kd1 s LEU 103 Ca 0.54 2.07 -0.21 0.00 -0.22 0.00 0.00 54.13 56.31 2kd1 s LEU 103 Cb -0.10 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 2kd1 s LEU 103 CO 0.39 -1.24 1.25 -2.16 -1.32 0.00 0.00 176.35 173.27 2kd1 s PRO 104 N 4.75 3.23 -0.60 0.98 0.04 -1.26 -4.95 135.00 137.19 2kd1 s PRO 104 Ca 0.81 1.97 -0.28 0.00 0.04 0.00 0.00 61.00 63.54 2kd1 s PRO 104 Cb -0.33 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.07 2kd1 s PRO 104 CO 0.33 -1.04 1.26 0.15 0.04 0.00 0.00 177.00 177.75 2kd1 s LYS 105 N -3.01 3.42 0.00 4.56 1.02 -1.26 -4.94 119.74 119.53 2kd1 s LYS 105 Ca 0.72 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.93 2kd1 s LYS 105 Cb -0.34 -4.06 0.00 0.00 -0.52 0.00 0.00 37.83 32.91 2kd1 s LYS 105 CO 0.39 -1.81 0.00 0.00 -0.92 0.00 0.00 175.35 173.01 2kd1 n ALA 106 N 8.85 0.00 -1.70 5.17 0.00 -1.26 -5.11 120.51 126.46 2kd1 n ALA 106 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 2kd1 n ALA 106 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 2kd1 n ALA 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kd1 n ASP 107 N -1.32 2.85 -4.66 0.00 5.75 -1.26 -4.83 116.55 113.07 2kd1 n ASP 107 Ca 0.00 1.20 -0.42 0.00 -0.01 0.00 0.00 54.79 55.56 2kd1 n ASP 107 Cb 0.00 -1.49 -0.03 0.00 -1.03 0.00 0.00 41.12 38.57 2kd1 n ASP 107 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kd1 s LYS 108 N -1.77 4.14 -0.16 0.11 3.01 -1.26 -4.77 119.74 119.04 2kd1 s LYS 108 Ca 0.56 2.08 0.14 0.00 -1.01 0.00 0.00 55.97 57.74 2kd1 s LYS 108 Cb -0.57 -3.97 0.39 0.00 -1.01 0.00 0.00 37.83 32.68 2kd1 s LYS 108 CO 0.61 -0.88 1.20 0.39 0.51 0.00 0.00 175.35 177.18 2kd1 n GLU 109 N 7.13 1.24 0.00 1.68 1.02 -1.26 -5.07 120.64 125.38 2kd1 n GLU 109 Ca 0.17 -2.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.37 2kd1 n GLU 109 Cb 0.43 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 2kd1 n GLU 109 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kd1 n GLU 110 N -0.85 0.00 0.00 3.49 1.02 -1.26 -4.87 120.64 118.16 2kd1 n GLU 110 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2kd1 n GLU 110 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.18 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 0.00 0.00 -4.86 -4.62 4.77 -1.26 -4.88 117.00 106.16 2kd1 n LEU 111 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 2kd1 n LEU 111 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2kd1 n LEU 111 CO 0.00 0.00 -0.15 -1.61 -1.33 0.00 0.00 177.39 174.30 2kd1 s GLU 112 N 0.00 3.07 -0.76 3.23 2.02 -1.26 -5.05 118.70 119.95 2kd1 s GLU 112 Ca 0.00 -0.88 -0.19 0.00 0.02 0.00 0.00 54.97 53.92 2kd1 s GLU 112 Cb 0.00 -2.70 0.12 0.00 0.10 0.00 0.00 34.13 31.65 2kd1 s GLU 112 CO 0.00 0.45 0.92 -1.58 0.02 0.00 0.00 175.26 175.07 2kd1 s HIS 113 N -1.92 3.08 0.26 1.61 5.65 -1.26 -4.97 115.29 117.74 2kd1 s HIS 113 Ca 0.33 -1.17 -0.01 0.00 0.25 0.00 0.00 55.06 54.45 2kd1 s HIS 113 Cb -0.09 -4.15 0.56 0.00 -1.18 0.00 0.00 32.58 27.72 2kd1 s HIS 113 CO 0.26 -1.40 1.73 0.45 -0.65 0.00 0.00 174.74 175.13 2kd1 h HIS 114 N 8.95 0.66 -0.94 3.88 -0.00 -1.96 -3.05 115.15 122.68 2kd1 h HIS 114 Ca -0.07 0.04 -0.43 0.00 -0.00 0.00 0.00 60.37 59.91 2kd1 h HIS 114 Cb 1.05 -0.16 -0.07 0.00 -0.00 0.00 0.00 27.41 28.23 2kd1 h HIS 114 CO 1.01 0.08 1.06 -1.58 -0.00 0.00 0.00 177.93 178.51 2kd1 s HIS 115 N -5.96 2.10 -0.08 2.45 2.46 -1.26 -4.88 115.29 110.11 2kd1 s HIS 115 Ca -0.12 0.04 -0.02 0.00 0.47 0.00 0.00 55.06 55.43 2kd1 s HIS 115 Cb 0.22 -4.32 -0.03 0.00 -0.13 0.00 0.00 32.58 28.32 2kd1 s HIS 115 CO 0.77 -1.85 2.48 0.72 -2.47 0.00 0.00 174.74 174.40 2kd1 n HIS 116 N 11.82 0.36 -3.93 3.88 8.25 -1.15 -4.76 115.22 129.68 2kd1 n HIS 116 Ca 0.36 -1.35 0.01 0.00 -0.26 0.00 0.00 57.72 56.48 2kd1 n HIS 116 Cb 0.49 -0.92 0.01 0.00 1.12 0.00 0.00 29.99 30.69 2kd1 n HIS 116 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kd1 s HIS 117 N -0.15 0.03 -2.94 4.41 -3.43 -1.26 -5.16 115.29 106.79 2kd1 s HIS 117 Ca 0.27 -0.24 0.24 0.00 -0.80 0.00 0.00 55.06 54.53 2kd1 s HIS 117 Cb 0.15 0.60 0.29 0.00 -1.43 0.00 0.00 32.58 32.19 2kd1 s HIS 117 CO -0.02 -0.48 1.32 0.72 -2.00 0.00 0.00 174.74 174.28