#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 0.27 -0.08 3.17 2.12 -1.26 -5.16 118.70 117.77 2kd1 s GLU 2 Ca 0.00 0.25 -0.30 0.00 0.36 0.00 0.00 54.97 55.28 2kd1 s GLU 2 Cb 0.00 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.48 2kd1 s GLU 2 CO 0.00 -0.50 1.10 -1.25 -0.54 0.00 0.00 175.26 174.07 2kd1 s PRO 3 N 2.89 4.39 0.00 4.30 0.04 -1.26 -5.00 135.00 140.37 2kd1 s PRO 3 Ca 0.22 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2kd1 s PRO 3 Cb -0.04 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.96 2kd1 s PRO 3 CO -0.24 -0.37 0.48 0.45 0.04 0.00 0.00 177.00 177.37 2kd1 n SER 4 N 5.04 0.00 -2.10 6.66 2.88 -1.26 -4.89 113.62 119.95 2kd1 n SER 4 Ca 0.10 0.58 -0.17 0.00 -1.33 0.00 0.00 58.87 58.05 2kd1 n SER 4 Cb 0.48 -0.27 -0.03 0.00 -0.75 0.00 0.00 64.21 63.64 2kd1 n SER 4 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kd1 n LYS 5 N -1.31 -1.74 -2.26 -1.46 4.76 -1.26 -4.89 118.16 110.00 2kd1 n LYS 5 Ca 0.00 0.88 -0.42 0.00 -2.87 0.00 0.00 58.31 55.90 2kd1 n LYS 5 Cb 0.00 -5.41 -0.03 0.00 -1.84 0.00 0.00 35.03 27.76 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 -5.29 4.30 0.39 -0.35 2.96 -1.26 -4.97 118.68 114.45 2kd1 s LEU 6 Ca 0.00 2.03 -0.23 0.00 -0.22 0.00 0.00 54.13 55.71 2kd1 s LEU 6 Cb 0.00 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 2kd1 s LEU 6 CO 0.00 -0.72 0.97 -0.94 -1.32 0.00 0.00 176.35 174.34 2kd1 s SER 7 N 1.96 7.02 0.50 3.68 1.04 -1.26 -1.48 113.70 125.17 2kd1 s SER 7 Ca 0.63 1.82 0.16 0.00 0.48 0.00 0.00 55.95 59.04 2kd1 s SER 7 Cb -0.30 -2.56 1.21 0.00 0.10 0.00 0.00 66.02 64.47 2kd1 s SER 7 CO 0.25 -0.30 2.10 0.22 0.98 0.00 0.00 173.24 176.49 2kd1 h TYR 8 N 2.46 0.00 0.27 5.02 3.20 -1.26 -1.35 116.97 125.31 2kd1 h TYR 8 Ca -0.48 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.38 2kd1 h TYR 8 Cb 1.19 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.47 2kd1 h TYR 8 CO 0.61 0.07 -0.13 0.78 -1.64 0.00 0.00 178.16 177.85 2kd1 h GLY 9 N 0.21 -0.38 2.00 1.82 0.00 -1.31 0.48 103.07 105.89 2kd1 h GLY 9 Ca -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 2kd1 h GLY 9 CO 0.01 -0.14 -0.25 0.83 0.00 0.00 0.00 176.54 176.99 2kd1 h GLU 10 N -0.54 0.00 -0.37 4.80 4.39 -1.73 -1.92 114.58 119.21 2kd1 h GLU 10 Ca -0.04 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 2kd1 h GLU 10 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2kd1 h GLU 10 CO 0.06 0.25 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.19 2kd1 h TYR 11 N 0.00 0.77 0.00 4.33 3.20 -1.10 -2.90 116.97 121.27 2kd1 h TYR 11 Ca -0.00 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.67 2kd1 h TYR 11 Cb 0.53 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2kd1 h TYR 11 CO 0.00 0.82 -0.22 -0.07 -1.64 0.00 0.00 178.16 177.05 2kd1 h LEU 12 N 0.49 0.00 0.45 2.82 3.38 -0.11 0.14 115.31 122.48 2kd1 h LEU 12 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2kd1 h LEU 12 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2kd1 h LEU 12 CO 0.03 0.22 -0.22 -0.33 0.09 0.00 0.00 178.44 178.23 2kd1 h GLU 13 N 0.00 -0.59 -0.35 1.13 4.39 -1.47 -0.91 114.58 116.79 2kd1 h GLU 13 Ca -0.00 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 2kd1 h GLU 13 Cb 0.39 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2kd1 h GLU 13 CO 0.03 -0.28 0.02 0.77 -1.16 0.00 0.00 179.01 178.38 2kd1 h SER 14 N -0.89 0.50 -0.25 1.42 0.02 -1.28 -2.04 113.55 111.03 2kd1 h SER 14 Ca -0.06 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 2kd1 h SER 14 Cb 0.57 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2kd1 h SER 14 CO 0.10 0.56 -0.06 -0.25 -1.14 0.00 0.00 176.83 176.04 2kd1 h TRP 15 N 0.52 0.55 -0.41 3.45 7.01 -0.80 -3.18 115.95 123.09 2kd1 h TRP 15 Ca 0.11 -0.12 0.02 0.00 2.11 0.00 0.00 58.89 61.01 2kd1 h TRP 15 Cb 0.31 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 2kd1 h TRP 15 CO 0.01 0.71 0.24 0.35 -2.79 0.00 0.00 178.44 176.96 2kd1 h PHE 16 N 0.24 0.46 -0.35 2.65 3.57 -0.49 0.19 116.94 123.20 2kd1 h PHE 16 Ca 0.06 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.63 2kd1 h PHE 16 Cb 0.53 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 2kd1 h PHE 16 CO 0.05 0.27 0.07 -0.91 -2.23 0.00 0.00 178.31 175.56 2kd1 h ASN 17 N 0.50 0.01 1.82 0.41 2.35 -1.45 -1.91 115.58 117.30 2kd1 h ASN 17 Ca 0.16 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2kd1 h ASN 17 Cb 0.00 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2kd1 h ASN 17 CO -0.07 0.04 0.00 0.00 -1.65 0.00 0.00 177.43 175.75 2kd1 h THR 18 N 0.19 0.00 -0.01 2.81 1.03 -1.49 -3.26 112.91 112.18 2kd1 h THR 18 Ca 0.16 -0.85 -0.17 0.00 -0.01 0.00 0.00 66.41 65.54 2kd1 h THR 18 Cb 0.18 1.84 -0.02 0.00 -1.07 0.00 0.00 68.15 69.09 2kd1 h THR 18 CO -0.22 0.00 -0.79 0.50 -0.01 0.00 0.00 175.52 175.00 2kd1 h LYS 19 N 0.00 0.12 0.00 0.00 1.63 0.11 -2.98 116.57 115.45 2kd1 h LYS 19 Ca 0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2kd1 h LYS 19 Cb 0.91 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2kd1 h LYS 19 CO 0.00 0.85 0.13 0.00 -3.45 0.00 0.00 179.45 176.97 2kd1 h ARG 20 N 0.07 0.00 0.00 1.90 3.08 -1.44 -0.41 114.38 117.58 2kd1 h ARG 20 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2kd1 h ARG 20 Cb 1.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 2kd1 h ARG 20 CO 0.11 0.00 -0.47 0.45 -1.07 0.00 0.00 179.97 178.99 2kd1 h HIS 21 N 0.00 0.00 0.00 3.04 3.86 -1.72 -3.36 115.15 116.97 2kd1 h HIS 21 Ca 0.00 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.85 2kd1 h HIS 21 Cb 0.25 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.65 2kd1 h HIS 21 CO 0.00 0.20 -2.36 -1.13 0.86 0.00 0.00 177.93 175.50 2kd1 n SER 22 N -3.03 0.03 -4.50 2.45 3.41 -0.29 -5.01 113.62 106.68 2kd1 n SER 22 Ca 0.01 0.01 -0.24 0.00 -0.26 0.00 0.00 58.87 58.39 2kd1 n SER 22 Cb 0.62 0.99 -0.10 0.00 -0.26 0.00 0.00 64.21 65.46 2kd1 n SER 22 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2kd1 s VAL 23 N -2.51 2.50 0.62 -3.33 -7.23 -0.47 -5.14 120.40 104.83 2kd1 s VAL 23 Ca -0.10 -2.32 -0.17 0.00 -1.81 0.00 0.00 61.98 57.57 2kd1 s VAL 23 Cb 0.06 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 2kd1 s VAL 23 CO 0.83 -0.35 1.17 -0.83 -0.31 0.00 0.00 175.10 175.61 2kd1 s GLY 24 N -3.55 2.50 0.19 2.32 0.00 -1.26 -4.53 107.32 103.00 2kd1 s GLY 24 Ca 0.31 0.84 -0.10 0.00 0.00 0.00 0.00 44.72 45.76 2kd1 s GLY 24 CO 0.16 1.21 1.77 -2.22 0.00 0.00 0.00 173.10 174.02 2kd1 h ILE 25 N 0.53 1.23 -0.69 0.90 1.08 -1.98 0.62 117.51 119.20 2kd1 h ILE 25 Ca -0.49 -0.68 -0.03 0.00 -0.39 0.00 0.00 64.86 63.27 2kd1 h ILE 25 Cb 1.28 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 2kd1 h ILE 25 CO 0.54 0.28 0.31 0.06 -0.69 0.00 0.00 178.15 178.64 2kd1 h GLN 26 N 0.95 1.01 -0.44 2.37 3.07 -2.00 -1.40 115.11 118.67 2kd1 h GLN 26 Ca 0.23 -0.16 -0.12 0.00 0.09 0.00 0.00 58.65 58.69 2kd1 h GLN 26 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.52 2kd1 h GLN 26 CO -0.03 0.82 -0.20 1.15 0.09 0.00 0.00 178.83 180.66 2kd1 h THR 27 N 0.97 1.27 -0.58 1.86 2.02 -1.87 -2.93 112.91 113.65 2kd1 h THR 27 Ca 0.23 -1.34 -0.09 0.00 0.77 0.00 0.00 66.41 65.98 2kd1 h THR 27 Cb 0.16 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2kd1 h THR 27 CO -0.02 0.46 0.02 0.00 0.37 0.00 0.00 175.52 176.34 2kd1 h ALA 28 N 0.84 0.94 -0.41 6.16 0.00 -0.72 -0.95 119.26 125.11 2kd1 h ALA 28 Ca 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2kd1 h ALA 28 Cb 0.76 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2kd1 h ALA 28 CO 0.06 0.64 0.20 -0.22 0.00 0.00 0.00 179.25 179.94 2kd1 h LYS 29 N 0.91 0.57 0.04 0.00 3.11 -1.20 -0.75 116.57 119.26 2kd1 h LYS 29 Ca 0.17 -0.06 -0.25 0.00 -2.81 0.00 0.00 60.65 57.70 2kd1 h LYS 29 Cb 0.51 -0.12 0.01 0.00 -1.00 0.00 0.00 32.23 31.63 2kd1 h LYS 29 CO 0.02 0.44 -1.06 0.28 -2.81 0.00 0.00 179.45 176.33 2kd1 h VAL 30 N 0.58 1.38 -0.51 2.00 2.07 -1.22 -1.79 116.25 118.76 2kd1 h VAL 30 Ca 0.15 -2.53 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 2kd1 h VAL 30 Cb 0.06 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2kd1 h VAL 30 CO -0.02 0.76 0.23 -0.07 0.02 0.00 0.00 177.57 178.48 2kd1 h LEU 31 N 0.23 0.68 -0.13 2.57 3.38 -0.39 -2.25 115.31 119.41 2kd1 h LEU 31 Ca -0.11 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2kd1 h LEU 31 Cb 1.72 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2kd1 h LEU 31 CO 0.19 0.64 -0.20 0.50 0.09 0.00 0.00 178.44 179.65 2kd1 h LYS 32 N 0.68 0.00 0.00 1.13 3.64 -1.25 -1.69 116.57 119.08 2kd1 h LYS 32 Ca 0.17 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2kd1 h LYS 32 Cb 0.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2kd1 h LYS 32 CO -0.02 0.20 -0.04 0.78 -2.27 0.00 0.00 179.45 178.10 2kd1 h GLY 33 N 3.62 0.00 1.13 5.01 0.00 -0.82 -1.09 103.07 110.93 2kd1 h GLY 33 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 2kd1 h GLY 33 CO 0.03 0.00 -1.61 -0.97 0.00 0.00 0.00 176.54 173.99 2kd1 h TYR 34 N 0.00 0.43 0.92 5.60 0.05 -1.02 -3.31 116.97 119.63 2kd1 h TYR 34 Ca -0.00 -0.32 -0.04 0.00 0.05 0.00 0.00 58.73 58.42 2kd1 h TYR 34 Cb 0.08 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 37.81 2kd1 h TYR 34 CO 0.00 1.41 -0.44 -0.07 -1.05 0.00 0.00 178.16 178.01 2kd1 h LEU 35 N 0.06 -1.05 -1.59 3.88 3.38 -0.88 -0.78 115.31 118.34 2kd1 h LEU 35 Ca -0.27 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2kd1 h LEU 35 Cb 2.02 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 43.03 2kd1 h LEU 35 CO 0.15 -0.75 0.16 0.78 0.09 0.00 0.00 178.44 178.86 2kd1 h ASN 36 N -1.24 0.38 0.06 -0.43 2.35 -1.41 0.78 115.58 116.07 2kd1 h ASN 36 Ca -0.13 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.45 2kd1 h ASN 36 Cb 0.95 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.22 2kd1 h ASN 36 CO 0.20 0.32 -0.72 0.28 -1.65 0.00 0.00 177.43 175.87 2kd1 h SER 37 N 0.43 0.21 0.00 5.81 0.02 -1.65 -3.40 113.55 114.98 2kd1 h SER 37 Ca 0.11 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 2kd1 h SER 37 Cb 0.04 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2kd1 h SER 37 CO -0.02 1.32 -0.79 0.54 -1.14 0.00 0.00 176.83 176.74 2kd1 n ARG 38 N -4.30 0.47 0.08 3.45 5.12 -0.30 -4.65 116.66 116.52 2kd1 n ARG 38 Ca -0.18 0.29 -0.22 0.00 -1.93 0.00 0.00 57.85 55.81 2kd1 n ARG 38 Cb 0.70 -1.44 -0.15 0.00 -1.16 0.00 0.00 32.46 30.41 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 -0.92 1.36 -0.43 0.55 5.03 -1.00 -3.26 117.51 118.85 2kd1 h ILE 39 Ca 0.00 -2.58 0.07 0.00 -0.12 0.00 0.00 64.86 62.23 2kd1 h ILE 39 Cb 0.79 3.08 -0.06 0.00 -3.03 0.00 0.00 36.82 37.60 2kd1 h ILE 39 CO 0.00 0.75 0.09 0.40 -0.68 0.00 0.00 178.15 178.71 2kd1 h ILE 40 N -0.16 0.78 0.00 -0.67 5.03 -1.17 0.40 117.51 121.72 2kd1 h ILE 40 Ca -0.21 -0.08 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 2kd1 h ILE 40 Cb 1.86 0.54 0.00 0.00 -3.03 0.00 0.00 36.82 36.19 2kd1 h ILE 40 CO 0.19 0.04 0.00 -0.81 -0.68 0.00 0.00 178.15 176.89 2kd1 n PRO 41 N -5.09 0.03 0.00 2.37 -0.04 -1.26 -2.71 135.00 128.29 2kd1 n PRO 41 Ca 0.03 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2kd1 n PRO 41 Cb 0.20 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.48 0.00 -0.01 3.54 7.64 -0.57 -4.85 113.62 117.89 2kd1 n SER 42 Ca 0.06 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.04 2kd1 n SER 42 Cb 0.25 -0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 63.10 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 -2.29 0.90 -0.10 -3.43 4.77 0.13 -4.53 117.00 112.44 2kd1 n LEU 43 Ca 0.00 -0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 55.49 2kd1 n LEU 43 Cb 0.00 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2kd1 n LEU 43 CO 0.00 0.22 0.94 1.23 -1.33 0.00 0.00 177.39 178.45 2kd1 h GLY 44 N 5.00 0.51 2.00 -0.72 0.00 -0.96 -2.50 103.07 106.39 2kd1 h GLY 44 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 2kd1 h GLY 44 CO 0.00 0.24 -0.19 3.43 0.00 0.00 0.00 176.54 180.01 2kd1 h ASN 45 N 0.40 0.00 -4.06 0.19 4.21 -1.80 -0.81 115.58 113.72 2kd1 h ASN 45 Ca 0.11 0.00 -0.46 0.00 1.21 0.00 0.00 56.30 57.17 2kd1 h ASN 45 Cb 0.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 2kd1 h ASN 45 CO -0.02 0.19 0.36 -0.63 -1.29 0.00 0.00 177.43 176.05 2kd1 s ILE 46 N -3.65 4.08 0.35 2.81 1.01 -0.94 -4.88 121.20 119.97 2kd1 s ILE 46 Ca 0.01 1.32 -0.28 0.00 0.00 0.00 0.00 60.65 61.70 2kd1 s ILE 46 Cb 0.10 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 38.92 2kd1 s ILE 46 CO 0.63 -0.25 1.29 -0.54 0.00 0.00 0.00 174.94 176.06 2kd1 s LYS 47 N -3.14 4.28 0.26 2.79 -0.14 -1.26 -1.18 119.74 121.35 2kd1 s LYS 47 Ca 0.64 2.16 -0.01 0.00 -1.36 0.00 0.00 55.97 57.40 2kd1 s LYS 47 Cb -0.13 -2.99 0.56 0.00 -1.68 0.00 0.00 37.83 33.58 2kd1 s LYS 47 CO 0.17 -0.23 1.72 1.25 -0.76 0.00 0.00 175.35 177.50 2kd1 h LEU 48 N 3.22 0.33 -0.55 3.17 5.85 -1.50 -1.36 115.31 124.47 2kd1 h LEU 48 Ca -0.49 0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.20 2kd1 h LEU 48 Cb 1.23 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2kd1 h LEU 48 CO 0.65 0.09 -0.71 0.00 -0.34 0.00 0.00 178.44 178.13 2kd1 h ALA 49 N 1.60 0.78 -0.00 1.25 0.00 -1.89 -3.22 119.26 117.78 2kd1 h ALA 49 Ca 0.47 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kd1 h ALA 49 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2kd1 h ALA 49 CO -0.44 0.83 0.00 1.63 0.00 0.00 0.00 179.25 181.27 2kd1 n LYS 50 N -3.75 1.03 -1.83 0.00 4.76 -0.53 -4.67 118.16 113.17 2kd1 n LYS 50 Ca -0.02 -0.04 -0.32 0.00 -2.87 0.00 0.00 58.31 55.06 2kd1 n LYS 50 Cb 0.69 -1.34 -0.04 0.00 -1.84 0.00 0.00 35.03 32.49 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 -1.68 3.23 0.52 -0.35 1.02 -1.13 -4.91 118.68 115.39 2kd1 s LEU 51 Ca 0.33 0.31 -0.02 0.00 0.02 0.00 0.00 54.13 54.77 2kd1 s LEU 51 Cb 0.15 -2.53 0.01 0.00 0.02 0.00 0.00 46.19 43.84 2kd1 s LEU 51 CO 0.25 -2.83 0.77 0.28 0.02 0.00 0.00 176.35 174.85 2kd1 s THR 52 N 11.06 3.60 0.36 5.49 -1.32 -1.26 -4.66 115.64 128.91 2kd1 s THR 52 Ca 0.80 -0.36 0.30 0.00 -1.21 0.00 0.00 61.69 61.22 2kd1 s THR 52 Cb -0.13 -3.37 0.32 0.00 -1.51 0.00 0.00 72.50 67.81 2kd1 s THR 52 CO 0.16 -0.31 2.06 0.77 -2.21 0.00 0.00 174.62 175.09 2kd1 h SER 53 N 0.13 0.00 -0.65 8.08 4.64 -1.93 -2.12 113.55 121.69 2kd1 h SER 53 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 2kd1 h SER 53 Cb 1.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 2kd1 h SER 53 CO 0.58 0.10 0.28 0.25 -0.87 0.00 0.00 176.83 177.16 2kd1 h LEU 54 N 0.00 0.88 -1.24 5.97 5.85 -1.98 -2.00 115.31 122.79 2kd1 h LEU 54 Ca -0.00 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 2kd1 h LEU 54 Cb 0.38 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2kd1 h LEU 54 CO 0.01 0.80 -0.00 0.45 -0.34 0.00 0.00 178.44 179.36 2kd1 h HIS 55 N 0.91 0.53 -0.22 1.25 3.86 -1.77 -1.51 115.15 118.19 2kd1 h HIS 55 Ca 0.22 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 2kd1 h HIS 55 Cb 0.18 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2kd1 h HIS 55 CO 0.01 0.52 -0.13 0.52 0.86 0.00 0.00 177.93 179.71 2kd1 h MET 56 N 0.49 0.47 -0.08 2.45 2.86 -1.40 -0.94 114.93 118.78 2kd1 h MET 56 Ca 0.11 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2kd1 h MET 56 Cb 0.32 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2kd1 h MET 56 CO 0.01 0.77 0.03 0.37 1.06 0.00 0.00 176.91 179.14 2kd1 h GLN 57 N 0.17 0.12 -0.34 1.72 5.75 -1.21 -2.78 115.11 118.55 2kd1 h GLN 57 Ca 0.05 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2kd1 h GLN 57 Cb 0.64 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 2kd1 h GLN 57 CO 0.04 0.27 0.20 -0.91 -2.65 0.00 0.00 178.83 175.78 2kd1 h ASN 58 N -0.05 0.39 -0.10 -0.69 2.35 -1.29 -0.90 115.58 115.29 2kd1 h ASN 58 Ca 0.03 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2kd1 h ASN 58 Cb 0.19 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 2kd1 h ASN 58 CO -0.00 0.30 0.03 0.22 -1.65 0.00 0.00 177.43 176.33 2kd1 h TYR 59 N 0.46 0.17 0.00 1.19 3.20 -1.01 -2.48 116.97 118.49 2kd1 h TYR 59 Ca 0.12 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 2kd1 h TYR 59 Cb -0.02 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2kd1 h TYR 59 CO 0.00 0.30 -0.41 0.28 -1.64 0.00 0.00 178.16 176.69 2kd1 h VAL 60 N -0.01 0.90 -0.32 1.81 2.07 -1.18 -3.01 116.25 116.50 2kd1 h VAL 60 Ca 0.03 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 2kd1 h VAL 60 Cb 0.21 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2kd1 h VAL 60 CO -0.00 0.40 0.14 0.78 0.02 0.00 0.00 177.57 178.91 2kd1 h ASN 61 N 0.00 0.43 -0.21 0.57 2.35 -1.04 -2.49 115.58 115.20 2kd1 h ASN 61 Ca -0.00 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.52 2kd1 h ASN 61 Cb 1.00 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 2kd1 h ASN 61 CO 0.05 0.46 -0.10 0.77 -1.65 0.00 0.00 177.43 176.96 2kd1 h SER 62 N 0.38 0.57 -0.11 5.81 4.64 -1.36 -2.78 113.55 120.69 2kd1 h SER 62 Ca 0.11 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 2kd1 h SER 62 Cb 0.15 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2kd1 h SER 62 CO -0.01 0.71 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.48 2kd1 h LEU 63 N 0.54 0.42 -0.43 5.97 3.38 -1.38 0.38 115.31 124.20 2kd1 h LEU 63 Ca 0.10 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2kd1 h LEU 63 Cb 0.50 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2kd1 h LEU 63 CO 0.03 0.57 -0.25 -0.09 0.09 0.00 0.00 178.44 178.79 2kd1 h ARG 64 N 0.41 0.92 0.00 1.13 2.43 -1.19 -2.33 114.38 115.75 2kd1 h ARG 64 Ca 0.08 -0.42 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 2kd1 h ARG 64 Cb 0.44 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2kd1 h ARG 64 CO 0.02 1.08 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.92 2kd1 h ASP 65 N 0.75 0.00 1.00 -3.80 5.19 -1.19 -1.56 116.42 116.82 2kd1 h ASP 65 Ca 0.09 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 2kd1 h ASP 65 Cb 0.83 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.33 2kd1 h ASP 65 CO 0.07 0.20 -0.25 -0.33 -3.12 0.00 0.00 179.24 175.81 2kd1 h GLU 66 N 0.00 0.00 -2.50 3.56 4.39 -0.75 -3.48 114.58 115.81 2kd1 h GLU 66 Ca -0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 2kd1 h GLU 66 Cb 0.73 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.40 2kd1 h GLU 66 CO 0.03 0.25 -0.32 0.41 -1.16 0.00 0.00 179.01 178.22 2kd1 n GLY 67 N 0.28 0.01 3.77 -3.84 0.00 -0.59 -5.02 105.19 99.81 2kd1 n GLY 67 Ca 0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.77 3.03 0.26 0.99 1.43 -1.08 -5.03 118.68 114.52 2kd1 s LEU 68 Ca 0.14 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 2kd1 s LEU 68 Cb -0.06 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.54 2kd1 s LEU 68 CO 0.17 -2.05 1.06 -1.59 0.23 0.00 0.00 176.35 174.17 2kd1 s LYS 69 N -4.90 4.70 0.63 1.70 -2.85 -1.26 -4.94 119.74 112.81 2kd1 s LYS 69 Ca 0.61 1.72 0.35 0.00 -1.00 0.00 0.00 55.97 57.65 2kd1 s LYS 69 Cb -0.17 -3.22 2.00 0.00 -2.06 0.00 0.00 37.83 34.38 2kd1 s LYS 69 CO 0.56 0.28 2.22 0.07 0.10 0.00 0.00 175.35 178.59 2kd1 h ARG 70 N 3.99 0.00 0.28 1.78 0.11 -1.97 -1.83 114.38 116.74 2kd1 h ARG 70 Ca -0.46 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 2kd1 h ARG 70 Cb 1.21 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.29 2kd1 h ARG 70 CO 0.68 0.00 -0.16 0.78 0.10 0.00 0.00 179.97 181.36 2kd1 h GLY 71 N 0.00 -0.44 0.93 0.08 0.00 -1.99 -0.62 103.07 101.04 2kd1 h GLY 71 Ca 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2kd1 h GLY 71 CO -0.00 -0.17 0.15 -0.84 0.00 0.00 0.00 176.54 175.68 2kd1 h THR 72 N -0.43 1.19 -0.30 4.70 2.02 -1.75 -2.45 112.91 115.90 2kd1 h THR 72 Ca -0.03 -0.59 0.04 0.00 0.77 0.00 0.00 66.41 66.60 2kd1 h THR 72 Cb 0.35 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2kd1 h THR 72 CO 0.04 0.21 0.07 0.40 0.37 0.00 0.00 175.52 176.61 2kd1 h ILE 73 N 0.45 0.87 -0.68 3.11 2.04 -1.44 -2.02 117.51 119.84 2kd1 h ILE 73 Ca 0.12 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2kd1 h ILE 73 Cb 0.19 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2kd1 h ILE 73 CO -0.01 0.03 0.44 -0.08 0.00 0.00 0.00 178.15 178.54 2kd1 h GLU 74 N 0.19 0.86 -0.30 2.37 4.81 -1.00 -1.85 114.58 119.65 2kd1 h GLU 74 Ca 0.14 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2kd1 h GLU 74 Cb 0.14 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2kd1 h GLU 74 CO -0.17 0.57 -0.05 0.87 -0.73 0.00 0.00 179.01 179.49 2kd1 h LYS 75 N 0.89 0.57 0.00 1.92 1.57 -1.08 -1.43 116.57 119.01 2kd1 h LYS 75 Ca 0.26 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2kd1 h LYS 75 Cb -0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2kd1 h LYS 75 CO -0.07 0.75 -0.51 -0.84 -0.57 0.00 0.00 179.45 178.21 2kd1 h ILE 76 N 0.35 1.18 -0.59 1.86 3.07 -1.23 0.16 117.51 122.31 2kd1 h ILE 76 Ca 0.08 -1.87 -0.06 0.00 1.55 0.00 0.00 64.86 64.56 2kd1 h ILE 76 Cb 0.53 2.06 -0.02 0.00 -0.27 0.00 0.00 36.82 39.12 2kd1 h ILE 76 CO 0.03 0.50 0.13 0.40 -1.05 0.00 0.00 178.15 178.15 2kd1 h ILE 77 N 0.00 1.25 -0.21 0.16 1.08 -1.25 -2.51 117.51 116.03 2kd1 h ILE 77 Ca -0.01 -0.93 -0.07 0.00 -0.39 0.00 0.00 64.86 63.47 2kd1 h ILE 77 Cb 1.02 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 2kd1 h ILE 77 CO 0.07 0.34 -0.17 0.11 -0.69 0.00 0.00 178.15 177.81 2kd1 h LYS 78 N 0.85 0.36 -0.39 2.37 1.79 -0.12 -1.15 116.57 120.28 2kd1 h LYS 78 Ca 0.18 -0.11 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 2kd1 h LYS 78 Cb 0.37 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2kd1 h LYS 78 CO 0.00 0.53 -0.16 0.28 -1.08 0.00 0.00 179.45 179.02 2kd1 h VAL 79 N 0.33 1.28 -0.53 0.50 2.07 -0.91 0.49 116.25 119.49 2kd1 h VAL 79 Ca 0.06 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 2kd1 h VAL 79 Cb 0.50 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2kd1 h VAL 79 CO 0.03 0.43 0.08 0.40 0.02 0.00 0.00 177.57 178.54 2kd1 h ILE 80 N 0.61 1.23 -0.11 4.57 2.04 -1.25 -2.11 117.51 122.49 2kd1 h ILE 80 Ca 0.09 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2kd1 h ILE 80 Cb 0.71 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2kd1 h ILE 80 CO 0.05 0.33 0.04 0.03 0.00 0.00 0.00 178.15 178.60 2kd1 h ARG 81 N 0.80 0.17 -0.79 2.37 3.08 -0.98 -2.07 114.38 116.96 2kd1 h ARG 81 Ca 0.17 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 2kd1 h ARG 81 Cb 0.36 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2kd1 h ARG 81 CO 0.01 0.30 0.37 -0.91 -1.07 0.00 0.00 179.97 178.67 2kd1 h ASN 82 N 0.01 1.04 0.08 7.04 2.35 -0.67 0.61 115.58 126.05 2kd1 h ASN 82 Ca 0.04 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2kd1 h ASN 82 Cb 0.20 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2kd1 h ASN 82 CO -0.00 0.88 -0.04 0.77 -1.65 0.00 0.00 177.43 177.39 2kd1 h SER 83 N 1.13 -0.09 0.57 5.81 4.64 -1.43 -2.62 113.55 121.55 2kd1 h SER 83 Ca 0.27 -0.43 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 2kd1 h SER 83 Cb 0.13 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2kd1 h SER 83 CO -0.03 0.40 -0.27 -0.07 -0.87 0.00 0.00 176.83 175.99 2kd1 h LEU 84 N -0.63 0.00 -0.41 5.97 3.38 -1.19 0.20 115.31 122.63 2kd1 h LEU 84 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2kd1 h LEU 84 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2kd1 h LEU 84 CO 0.02 0.27 -0.18 -0.33 0.09 0.00 0.00 178.44 178.31 2kd1 h GLU 85 N 0.00 0.85 0.00 1.13 4.39 -0.94 -2.55 114.58 117.45 2kd1 h GLU 85 Ca -0.00 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.29 2kd1 h GLU 85 Cb 0.63 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2kd1 h GLU 85 CO 0.04 1.00 -0.22 1.25 -1.16 0.00 0.00 179.01 179.92 2kd1 h HIS 86 N 0.66 0.00 -0.01 4.33 2.76 -0.94 -1.79 115.15 120.16 2kd1 h HIS 86 Ca 0.09 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.08 2kd1 h HIS 86 Cb 0.74 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 2kd1 h HIS 86 CO 0.06 0.22 -0.80 0.00 -1.30 0.00 0.00 177.93 176.11 2kd1 h ALA 87 N 1.78 0.64 -0.35 5.26 0.00 -0.85 -0.92 119.26 124.81 2kd1 h ALA 87 Ca -0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.09 2kd1 h ALA 87 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2kd1 h ALA 87 CO 0.03 0.89 -0.32 0.82 0.00 0.00 0.00 179.25 180.67 2kd1 h ILE 88 N 0.10 1.28 -0.48 0.00 2.04 -1.11 0.11 117.51 119.45 2kd1 h ILE 88 Ca -0.03 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.37 2kd1 h ILE 88 Cb 1.39 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 2kd1 h ILE 88 CO 0.12 0.48 0.31 -0.78 0.00 0.00 0.00 178.15 178.28 2kd1 h ASP 89 N 0.65 0.52 0.59 1.72 3.58 -1.19 -1.90 116.42 120.38 2kd1 h ASP 89 Ca 0.07 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2kd1 h ASP 89 Cb 0.85 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2kd1 h ASP 89 CO 0.07 0.38 0.00 0.18 -2.88 0.00 0.00 179.24 176.99 2kd1 n LEU 90 N -4.77 0.00 -1.52 2.28 4.77 -0.36 -4.91 117.00 112.48 2kd1 n LEU 90 Ca 0.02 0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 56.12 2kd1 n LEU 90 Cb 0.04 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 2kd1 n LEU 90 CO 0.34 -0.00 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.60 2kd1 n GLU 91 N -1.29 -1.28 0.20 3.23 1.02 -0.44 -4.85 120.64 117.21 2kd1 n GLU 91 Ca 0.14 1.07 0.06 0.00 -0.02 0.00 0.00 57.16 58.41 2kd1 n GLU 91 Cb 0.24 -5.38 0.39 0.00 -0.02 0.00 0.00 31.44 26.67 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 -8.27 -4.62 3.38 -1.30 -3.44 115.31 101.06 2kd1 h LEU 92 Ca -0.38 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.46 2kd1 h LEU 92 Cb 1.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 2kd1 h LEU 92 CO 0.53 0.35 -0.68 0.27 0.09 0.00 0.00 178.44 179.00 2kd1 s ILE 93 N -3.77 0.23 -0.35 1.22 -4.36 -1.09 -4.85 121.20 108.23 2kd1 s ILE 93 Ca -0.01 -1.83 0.15 0.00 -0.26 0.00 0.00 60.65 58.70 2kd1 s ILE 93 Cb 0.12 -1.59 -0.19 0.00 1.25 0.00 0.00 42.46 42.05 2kd1 s ILE 93 CO 0.68 -0.93 0.47 0.35 0.24 0.00 0.00 174.94 175.75 2kd1 n THR 94 N 0.08 0.00 -3.78 8.37 -2.24 -1.26 -3.83 114.28 111.62 2kd1 n THR 94 Ca -0.13 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 2kd1 n THR 94 Cb 0.61 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 2kd1 n THR 94 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kd1 s LYS 95 N -2.69 0.52 0.07 -0.78 2.20 -1.26 -4.98 119.74 112.82 2kd1 s LYS 95 Ca 0.00 0.03 0.09 0.00 -0.36 0.00 0.00 55.97 55.72 2kd1 s LYS 95 Cb 0.10 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.63 2kd1 s LYS 95 CO 0.60 -0.12 -0.23 0.54 -0.36 0.00 0.00 175.35 175.78 2kd1 s ASN 96 N -0.74 2.80 0.00 1.43 2.20 -1.26 -4.99 114.94 114.37 2kd1 s ASN 96 Ca -0.08 -0.61 0.28 0.00 -0.94 0.00 0.00 52.86 51.50 2kd1 s ASN 96 Cb -0.04 -0.21 1.04 0.00 -2.00 0.00 0.00 41.25 40.03 2kd1 s ASN 96 CO 0.02 0.17 1.74 1.33 -2.94 0.00 0.00 177.10 177.42 2kd1 n VAL 97 N 1.52 0.00 0.27 3.54 0.24 -1.26 -3.82 118.33 118.82 2kd1 n VAL 97 Ca -0.18 -0.10 0.13 0.00 -2.04 0.00 0.00 64.34 62.14 2kd1 n VAL 97 Cb 0.53 0.15 0.25 0.00 -1.47 0.00 0.00 33.84 33.30 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 3.72 1.00 0.00 2.33 0.00 -1.92 -2.91 119.26 121.48 2kd1 h ALA 98 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2kd1 h ALA 98 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kd1 h ALA 98 CO 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 179.25 178.92 2kd1 h ALA 99 N 2.06 1.36 0.00 0.00 0.00 -1.96 -2.37 119.26 118.35 2kd1 h ALA 99 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2kd1 h ALA 99 Cb 0.91 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kd1 h ALA 99 CO 0.00 0.42 -0.21 0.87 0.00 0.00 0.00 179.25 180.32 2kd1 h LYS 100 N 0.00 0.00 -5.52 0.00 1.79 -1.76 -3.43 116.57 107.65 2kd1 h LYS 100 Ca -0.00 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.83 2kd1 h LYS 100 Cb 0.62 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.13 2kd1 h LYS 100 CO 0.04 0.21 0.82 0.99 -1.08 0.00 0.00 179.45 180.43 2kd1 s THR 101 N -3.15 4.31 0.51 -0.16 2.01 -0.89 -5.02 115.64 113.26 2kd1 s THR 101 Ca 0.05 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.41 2kd1 s THR 101 Cb 0.06 -4.79 0.03 0.00 0.01 0.00 0.00 72.50 67.81 2kd1 s THR 101 CO 0.69 -1.59 0.72 -0.54 -0.69 0.00 0.00 174.62 173.22 2kd1 s LYS 102 N 3.99 2.63 0.14 4.92 1.02 -1.26 -4.96 119.74 126.22 2kd1 s LYS 102 Ca 0.30 -0.91 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 2kd1 s LYS 102 Cb -0.10 -2.56 -0.10 0.00 -0.52 0.00 0.00 37.83 34.55 2kd1 s LYS 102 CO 0.02 -0.59 1.56 -1.17 -0.92 0.00 0.00 175.35 174.26 2kd1 s LEU 103 N -4.65 4.37 0.77 3.17 2.96 -1.26 -5.02 118.68 119.02 2kd1 s LEU 103 Ca 0.57 2.57 -0.14 0.00 -0.22 0.00 0.00 54.13 56.90 2kd1 s LEU 103 Cb -0.10 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.06 2kd1 s LEU 103 CO 0.37 -0.82 1.21 -0.81 -1.32 0.00 0.00 176.35 174.98 2kd1 n PRO 104 N 4.23 0.38 -1.79 0.98 -0.04 -1.26 -4.83 135.00 132.67 2kd1 n PRO 104 Ca 0.14 0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 2kd1 n PRO 104 Cb 0.39 -2.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 2kd1 n PRO 104 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kd1 s LYS 105 N -3.93 2.06 0.00 0.54 1.02 -1.26 -4.40 119.74 113.76 2kd1 s LYS 105 Ca 0.75 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.95 2kd1 s LYS 105 Cb -0.31 -4.88 0.00 0.00 -0.52 0.00 0.00 37.83 32.12 2kd1 s LYS 105 CO 0.49 -3.89 0.06 0.00 -0.92 0.00 0.00 175.35 171.09 2kd1 n ALA 106 N 16.37 0.53 -2.63 5.17 0.00 -1.26 -5.08 120.51 133.61 2kd1 n ALA 106 Ca 0.43 -0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.45 2kd1 n ALA 106 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.12 6.63 -1.28 0.00 2.15 -1.26 -5.01 116.67 117.78 2kd1 s ASP 107 Ca 0.00 0.75 -0.19 0.00 0.43 0.00 0.00 52.55 53.54 2kd1 s ASP 107 Cb 0.00 -2.17 0.03 0.00 -0.30 0.00 0.00 42.92 40.49 2kd1 s ASP 107 CO 0.00 0.25 1.82 0.29 -0.17 0.00 0.00 175.17 177.36 2kd1 n LYS 108 N 1.27 2.83 -2.30 4.34 4.76 -1.26 -4.96 118.16 122.85 2kd1 n LYS 108 Ca -0.11 -3.04 -0.42 0.00 -2.87 0.00 0.00 58.31 51.86 2kd1 n LYS 108 Cb 0.53 -3.51 -0.03 0.00 -1.84 0.00 0.00 35.03 30.18 2kd1 n LYS 108 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2kd1 s GLU 109 N 4.59 4.27 0.50 1.97 2.02 -1.26 -4.91 118.70 125.88 2kd1 s GLU 109 Ca 0.56 1.85 0.29 0.00 0.02 0.00 0.00 54.97 57.70 2kd1 s GLU 109 Cb 0.04 -3.68 1.04 0.00 0.10 0.00 0.00 34.13 31.63 2kd1 s GLU 109 CO 0.08 -0.62 1.87 1.05 0.02 0.00 0.00 175.26 177.65 2kd1 h GLU 110 N 8.10 0.00 0.00 1.61 9.09 -1.92 -2.83 114.58 128.63 2kd1 h GLU 110 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.07 2kd1 h GLU 110 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 2kd1 h GLU 110 CO 0.92 0.05 0.00 -0.07 0.05 0.00 0.00 179.01 179.96 2kd1 h LEU 111 N 0.00 0.00 -1.92 3.06 3.38 -2.01 -1.34 115.31 116.49 2kd1 h LEU 111 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kd1 h LEU 111 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2kd1 h LEU 111 CO 0.01 0.00 -0.10 -0.08 0.09 0.00 0.00 178.44 178.35 2kd1 h GLU 112 N 0.00 0.00 -6.07 1.13 4.57 -1.91 -3.42 114.58 108.88 2kd1 h GLU 112 Ca 0.00 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.50 2kd1 h GLU 112 Cb 0.12 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 28.50 2kd1 h GLU 112 CO 0.00 0.10 -0.71 -1.58 -1.18 0.00 0.00 179.01 175.64 2kd1 s HIS 113 N -4.11 2.89 -0.73 0.92 2.46 -0.50 -5.08 115.29 111.14 2kd1 s HIS 113 Ca -0.02 -0.08 -0.26 0.00 0.47 0.00 0.00 55.06 55.17 2kd1 s HIS 113 Cb 0.13 -1.72 0.00 0.00 -0.13 0.00 0.00 32.58 30.86 2kd1 s HIS 113 CO 0.57 0.24 1.59 -1.01 -2.47 0.00 0.00 174.74 173.66 2kd1 s HIS 114 N -0.64 2.01 -0.43 3.88 3.76 -1.26 -4.96 115.29 117.65 2kd1 s HIS 114 Ca 0.10 0.28 -0.28 0.00 -0.15 0.00 0.00 55.06 55.01 2kd1 s HIS 114 Cb -0.11 -4.37 -0.02 0.00 1.11 0.00 0.00 32.58 29.19 2kd1 s HIS 114 CO 0.02 -2.13 1.78 -1.58 -0.85 0.00 0.00 174.74 171.97 2kd1 s HIS 115 N 7.39 1.82 0.30 1.40 2.46 -1.26 -4.99 115.29 122.41 2kd1 s HIS 115 Ca 0.52 0.69 0.00 0.00 0.47 0.00 0.00 55.06 56.75 2kd1 s HIS 115 Cb -0.09 -4.13 -0.04 0.00 -0.13 0.00 0.00 32.58 28.19 2kd1 s HIS 115 CO 0.14 -2.62 0.50 -3.38 -2.47 0.00 0.00 174.74 166.90 2kd1 s HIS 116 N 7.50 3.49 -0.29 3.88 -3.43 -1.26 -4.70 115.29 120.47 2kd1 s HIS 116 Ca 0.74 0.34 -0.09 0.00 -0.80 0.00 0.00 55.06 55.24 2kd1 s HIS 116 Cb -0.18 -1.87 0.01 0.00 -1.43 0.00 0.00 32.58 29.11 2kd1 s HIS 116 CO 0.29 0.21 0.34 0.72 -2.00 0.00 0.00 174.74 174.31 2kd1 n HIS 117 N -1.43 -2.59 1.89 0.38 8.25 -1.26 -5.33 115.22 115.13 2kd1 n HIS 117 Ca -0.05 1.07 0.15 0.00 -0.26 0.00 0.00 57.72 58.63 2kd1 n HIS 117 Cb 0.56 -3.36 0.90 0.00 1.12 0.00 0.00 29.99 29.21 2kd1 n HIS 117 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70