#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkp s ILE 2 N 0.00 1.18 0.38 2.02 2.07 -1.26 -5.12 121.20 120.47 2kkp s ILE 2 Ca 0.00 -0.55 -0.28 0.00 -1.41 0.00 0.00 60.65 58.41 2kkp s ILE 2 Cb 0.00 -1.04 -0.11 0.00 0.13 0.00 0.00 42.46 41.44 2kkp s ILE 2 CO 0.00 0.35 1.45 -0.62 -1.91 0.00 0.00 174.94 174.21 2kkp n GLU 3 N 3.41 2.54 0.05 3.50 4.71 -1.26 -4.93 120.64 128.67 2kkp n GLU 3 Ca -0.20 0.89 -0.11 0.00 -0.01 0.00 0.00 57.16 57.73 2kkp n GLU 3 Cb 0.53 -2.61 -0.04 0.00 -1.01 0.00 0.00 31.44 28.30 2kkp n GLU 3 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 2kkp h PRO 4 N 2.80 -0.31 -4.40 3.49 0.11 -2.07 -3.45 132.00 128.16 2kkp h PRO 4 Ca -0.50 0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.38 2kkp h PRO 4 Cb 1.25 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 2kkp h PRO 4 CO 0.63 -0.21 -0.34 -1.13 -0.21 0.00 0.00 178.00 176.75 2kkp n SER 5 N -5.33 -3.47 -3.36 -2.05 3.41 -1.26 -4.89 113.62 96.66 2kkp n SER 5 Ca -0.05 0.09 -0.25 0.00 -0.26 0.00 0.00 58.87 58.40 2kkp n SER 5 Cb 0.25 -2.95 -0.09 0.00 -0.26 0.00 0.00 64.21 61.15 2kkp n SER 5 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2kkp s LYS 6 N -5.28 0.80 -0.48 4.33 2.20 -1.26 -5.02 119.74 115.04 2kkp s LYS 6 Ca 0.10 -1.73 0.07 0.00 -0.36 0.00 0.00 55.97 54.05 2kkp s LYS 6 Cb -0.05 -1.21 0.18 0.00 -1.51 0.00 0.00 37.83 35.24 2kkp s LYS 6 CO 0.13 -1.32 0.65 0.96 -0.36 0.00 0.00 175.35 175.40 2kkp s ILE 7 N 0.49 -0.83 0.46 5.43 -4.36 -1.26 -5.08 121.20 116.04 2kkp s ILE 7 Ca 0.28 -0.96 0.07 0.00 -0.26 0.00 0.00 60.65 59.77 2kkp s ILE 7 Cb -0.05 -0.16 -0.01 0.00 1.25 0.00 0.00 42.46 43.49 2kkp s ILE 7 CO -0.12 -0.15 0.30 0.42 0.24 0.00 0.00 174.94 175.63 2kkp s THR 8 N 1.02 2.16 0.34 8.37 -4.23 -1.26 -4.81 115.64 117.23 2kkp s THR 8 Ca 0.27 -1.54 0.03 0.00 -1.18 0.00 0.00 61.69 59.27 2kkp s THR 8 Cb -0.01 -2.70 0.21 0.00 1.34 0.00 0.00 72.50 71.34 2kkp s THR 8 CO -0.07 0.00 1.94 0.58 -0.54 0.00 0.00 174.62 176.54 2kkp h VAL 9 N 1.09 1.17 -0.25 2.29 2.07 -1.27 0.10 116.25 121.45 2kkp h VAL 9 Ca -0.40 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 66.64 2kkp h VAL 9 Cb 1.27 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 2kkp h VAL 9 CO 0.62 0.21 -0.04 -0.33 0.02 0.00 0.00 177.57 178.05 2kkp h GLU 10 N 0.68 0.02 0.00 1.57 5.08 -1.86 0.41 114.58 120.47 2kkp h GLU 10 Ca 0.17 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 2kkp h GLU 10 Cb 0.11 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2kkp h GLU 10 CO -0.02 0.02 -1.01 1.96 -1.00 0.00 0.00 179.01 178.96 2kkp h GLN 11 N 0.02 0.00 -0.28 2.33 4.20 -1.80 -1.43 115.11 118.16 2kkp h GLN 11 Ca 0.12 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 2kkp h GLN 11 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2kkp h GLN 11 CO -0.24 0.83 -0.03 2.35 -0.67 0.00 0.00 178.83 181.07 2kkp h TRP 12 N 0.00 0.56 -0.06 2.96 7.01 -0.71 -2.62 115.95 123.09 2kkp h TRP 12 Ca -0.05 -0.11 -0.12 0.00 2.11 0.00 0.00 58.89 60.73 2kkp h TRP 12 Cb 1.72 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.63 2kkp h TRP 12 CO 0.00 0.68 -0.51 -0.07 -2.79 0.00 0.00 178.44 175.75 2kkp h LEU 13 N 0.28 0.17 -0.41 0.65 3.38 -0.95 -2.26 115.31 116.16 2kkp h LEU 13 Ca 0.07 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2kkp h LEU 13 Cb 0.47 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2kkp h LEU 13 CO 0.02 0.65 0.17 -1.13 0.09 0.00 0.00 178.44 178.24 2kkp h ASN 14 N 0.12 0.22 -0.11 -0.43 -1.24 -1.04 0.16 115.58 113.27 2kkp h ASN 14 Ca 0.00 0.03 -0.18 0.00 0.71 0.00 0.00 56.30 56.87 2kkp h ASN 14 Cb 0.94 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.99 2kkp h ASN 14 CO 0.07 0.16 -0.57 0.03 -1.29 0.00 0.00 177.43 175.84 2kkp h ARG 15 N 0.35 0.70 0.58 6.67 3.08 -1.44 -3.23 114.38 121.09 2kkp h ARG 15 Ca 0.18 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 2kkp h ARG 15 Cb 0.13 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.25 2kkp h ARG 15 CO -0.16 1.08 -0.28 2.35 -1.07 0.00 0.00 179.97 181.89 2kkp h TRP 16 N 0.53 -0.72 0.00 3.04 7.01 -0.70 -2.58 115.95 122.53 2kkp h TRP 16 Ca 0.01 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 2kkp h TRP 16 Cb 1.15 0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 28.44 2kkp h TRP 16 CO 0.06 -0.45 -0.18 1.37 -2.79 0.00 0.00 178.44 176.45 2kkp h LEU 17 N -0.91 0.00 -0.27 0.65 8.10 -0.86 0.42 115.31 122.44 2kkp h LEU 17 Ca -0.08 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.71 2kkp h LEU 17 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.82 2kkp h LEU 17 CO 0.13 0.18 -0.73 0.74 -4.11 0.00 0.00 178.44 174.66 2kkp h THR 18 N 0.00 1.31 0.13 0.15 2.02 -1.57 -1.04 112.91 113.91 2kkp h THR 18 Ca -0.00 -1.98 -0.32 0.00 0.77 0.00 0.00 66.41 64.87 2kkp h THR 18 Cb 0.37 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2kkp h THR 18 CO 0.02 0.62 -1.64 -0.78 0.37 0.00 0.00 175.52 174.11 2kkp h ASP 19 N 0.47 0.43 -0.17 4.18 3.58 -0.99 -3.33 116.42 120.58 2kkp h ASP 19 Ca -0.04 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 56.77 2kkp h ASP 19 Cb 1.33 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2kkp h ASP 19 CO 0.14 1.55 0.00 -1.22 -2.88 0.00 0.00 179.24 176.83 2kkp n TYR 20 N -3.47 0.22 0.57 0.28 4.02 0.14 -3.90 117.16 115.03 2kkp n TYR 20 Ca -0.20 -0.11 0.05 0.00 -0.01 0.00 0.00 57.90 57.62 2kkp n TYR 20 Cb 1.05 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 40.64 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kkp n ALA 21 N 0.15 1.83 -0.98 -0.72 0.00 -0.39 -4.73 120.51 115.66 2kkp n ALA 21 Ca 0.14 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 2kkp n ALA 21 Cb 0.26 -1.15 0.23 0.00 0.00 0.00 0.00 19.45 18.79 2kkp n ALA 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kkp s LYS 22 N -2.03 -0.84 -0.24 0.00 -2.85 -1.25 -4.90 119.74 107.62 2kkp s LYS 22 Ca 0.14 0.24 -0.41 0.00 -1.00 0.00 0.00 55.97 54.93 2kkp s LYS 22 Cb 0.06 -1.61 -0.17 0.00 -2.06 0.00 0.00 37.83 34.05 2kkp s LYS 22 CO 0.11 -3.52 1.62 -2.30 0.10 0.00 0.00 175.35 171.35 2kkp n PRO 23 N -4.68 0.89 -0.78 1.78 -0.02 -1.26 -4.84 135.00 126.09 2kkp n PRO 23 Ca 0.09 0.33 -0.03 0.00 -2.02 0.00 0.00 63.50 61.86 2kkp n PRO 23 Cb 0.58 -1.96 0.25 0.00 -0.02 0.00 0.00 33.50 32.35 2kkp n PRO 23 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2kkp n HIS 24 N 4.47 1.88 0.00 6.00 8.25 -1.26 -4.91 115.22 129.65 2kkp n HIS 24 Ca 0.26 -0.92 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 2kkp n HIS 24 Cb 0.10 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.66 2kkp n HIS 24 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2kkp n LEU 25 N 0.02 0.00 -4.79 2.41 4.77 -1.26 -4.84 117.00 113.31 2kkp n LEU 25 Ca 0.30 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.93 2kkp n LEU 25 Cb 1.14 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.17 2kkp n LEU 25 CO 0.33 0.00 0.69 -0.13 -1.33 0.00 0.00 177.39 176.95 2kkp s ARG 26 N 0.00 4.28 0.00 3.23 0.52 -1.26 -5.02 118.95 120.70 2kkp s ARG 26 Ca 0.00 1.36 0.00 0.00 -0.52 0.00 0.00 55.73 56.57 2kkp s ARG 26 Cb 0.00 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.96 2kkp s ARG 26 CO 0.00 -0.01 0.63 1.04 0.02 0.00 0.00 175.30 176.98 2kkp n GLN 27 N -0.07 0.00 -1.12 3.54 3.00 -1.26 -5.03 117.38 116.45 2kkp n GLN 27 Ca 0.05 0.33 0.15 0.00 -0.01 0.00 0.00 57.00 57.51 2kkp n GLN 27 Cb 0.51 -1.21 -0.05 0.00 0.00 0.00 0.00 30.24 29.49 2kkp n GLN 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2kkp n SER 28 N -1.49 -6.69 0.15 1.08 7.64 -1.26 -4.54 113.62 108.52 2kkp n SER 28 Ca 0.00 0.69 0.09 0.00 1.01 0.00 0.00 58.87 60.66 2kkp n SER 28 Cb 0.00 -3.54 0.07 0.00 -1.01 0.00 0.00 64.21 59.73 2kkp n SER 28 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2kkp h THR 29 N -1.06 0.19 -1.48 0.44 2.02 -2.01 -3.50 112.91 107.50 2kkp h THR 29 Ca -0.04 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.85 2kkp h THR 29 Cb 1.04 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2kkp h THR 29 CO 0.03 0.11 -0.36 1.87 0.37 0.00 0.00 175.52 177.54 2kkp n TRP 30 N -2.97 -1.75 -0.98 3.16 -0.00 -1.26 -4.80 117.44 108.83 2kkp n TRP 30 Ca 0.01 0.93 0.00 0.00 -0.00 0.00 0.00 57.50 58.44 2kkp n TRP 30 Cb 0.60 -2.06 0.00 0.00 -0.00 0.00 0.00 31.31 29.85 2kkp n TRP 30 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2kkp n GLU 31 N -0.80 -0.84 0.09 5.87 2.13 -1.26 -4.92 120.64 120.91 2kkp n GLU 31 Ca 0.00 0.21 -0.04 0.00 0.66 0.00 0.00 57.16 57.99 2kkp n GLU 31 Cb 0.00 -3.87 -0.02 0.00 0.27 0.00 0.00 31.44 27.82 2kkp n GLU 31 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2kkp h SER 32 N 0.00 -0.24 1.00 4.31 0.02 -1.99 -2.84 113.55 113.81 2kkp h SER 32 Ca 0.00 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2kkp h SER 32 Cb 0.42 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2kkp h SER 32 CO 0.00 0.06 -0.68 0.10 -1.14 0.00 0.00 176.83 175.16 2kkp h TYR 33 N -0.73 0.00 0.00 3.45 -0.00 -1.98 -1.71 116.97 116.00 2kkp h TYR 33 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.70 2kkp h TYR 33 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.94 2kkp h TYR 33 CO 0.02 0.68 -0.00 0.93 -0.00 0.00 0.00 178.16 179.80 2kkp h GLU 34 N 0.00 0.00 0.00 0.10 3.07 -1.97 -0.69 114.58 115.09 2kkp h GLU 34 Ca -0.01 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 2kkp h GLU 34 Cb 1.37 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.26 2kkp h GLU 34 CO 0.09 0.00 -0.95 2.41 -1.40 0.00 0.00 179.01 179.16 2kkp n THR 35 N -4.14 1.47 -0.26 1.13 -1.04 -1.07 -4.36 114.28 106.02 2kkp n THR 35 Ca -0.03 0.09 -0.07 0.00 -2.04 0.00 0.00 64.05 62.00 2kkp n THR 35 Cb 0.09 -2.24 0.05 0.00 -1.82 0.00 0.00 70.33 66.41 2kkp n THR 35 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2kkp h VAL 36 N -1.00 1.25 0.74 12.58 -1.51 -1.21 -2.30 116.25 124.81 2kkp h VAL 36 Ca -0.17 -0.84 -0.04 0.00 -1.23 0.00 0.00 66.70 64.43 2kkp h VAL 36 Cb 0.90 0.46 0.01 0.00 -2.13 0.00 0.00 31.29 30.52 2kkp h VAL 36 CO -0.10 0.33 -0.36 -0.07 -1.23 0.00 0.00 177.57 176.14 2kkp h LEU 37 N 1.03 -0.84 -1.41 4.19 3.38 -1.37 -2.26 115.31 118.03 2kkp h LEU 37 Ca 0.23 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2kkp h LEU 37 Cb 0.26 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2kkp h LEU 37 CO -0.01 -0.47 0.38 0.08 0.09 0.00 0.00 178.44 178.51 2kkp h ARG 38 N -1.27 0.78 -0.40 1.13 0.11 -1.73 0.22 114.38 113.23 2kkp h ARG 38 Ca -0.10 -0.05 -0.06 0.00 0.10 0.00 0.00 59.98 59.87 2kkp h ARG 38 Cb 0.77 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 31.65 2kkp h ARG 38 CO 0.17 0.52 0.00 1.25 0.10 0.00 0.00 179.97 182.01 2kkp h LEU 39 N 0.80 0.60 0.00 0.08 5.85 -1.38 -3.02 115.31 118.24 2kkp h LEU 39 Ca 0.22 -0.12 -0.43 0.00 0.84 0.00 0.00 57.88 58.38 2kkp h LEU 39 Cb -0.08 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.72 2kkp h LEU 39 CO -0.05 0.67 -2.49 1.41 -0.34 0.00 0.00 178.44 177.65 2kkp n HIS 40 N -4.25 0.00 -0.01 1.25 8.25 -0.65 -4.76 115.22 115.05 2kkp n HIS 40 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 2kkp n HIS 40 Cb 0.27 -0.97 -0.17 0.00 1.12 0.00 0.00 29.99 30.24 2kkp n HIS 40 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2kkp n VAL 41 N -3.83 0.01 -0.00 1.59 3.14 0.68 -4.21 118.33 115.72 2kkp n VAL 41 Ca -0.50 -0.49 -0.13 0.00 -2.96 0.00 0.00 64.34 60.26 2kkp n VAL 41 Cb 0.92 0.01 -0.10 0.00 -1.06 0.00 0.00 33.84 33.61 2kkp n VAL 41 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2kkp h ILE 42 N 0.00 1.31 0.00 1.55 2.04 -1.59 0.19 117.51 121.02 2kkp h ILE 42 Ca -0.00 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.62 2kkp h ILE 42 Cb 0.99 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2kkp h ILE 42 CO 0.00 0.31 0.00 -0.65 0.00 0.00 0.00 178.15 177.81 2kkp h PRO 43 N -0.61 0.00 0.00 2.37 0.11 -1.80 -1.67 132.00 130.40 2kkp h PRO 43 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2kkp h PRO 43 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2kkp h PRO 43 CO 0.01 0.00 -0.23 0.25 -0.21 0.00 0.00 178.00 177.82 2kkp n THR 44 N -2.96 0.40 0.34 -1.15 -2.24 -1.18 -4.73 114.28 102.75 2kkp n THR 44 Ca -0.00 0.41 0.08 0.00 -2.27 0.00 0.00 64.05 62.27 2kkp n THR 44 Cb 0.22 -1.73 0.13 0.00 -2.10 0.00 0.00 70.33 66.85 2kkp n THR 44 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kkp n LEU 45 N -2.98 2.78 0.23 3.22 4.77 0.52 -4.39 117.00 121.14 2kkp n LEU 45 Ca -0.03 -1.38 0.08 0.00 -0.03 0.00 0.00 56.01 54.65 2kkp n LEU 45 Cb 0.12 -0.13 0.62 0.00 -2.33 0.00 0.00 43.42 41.70 2kkp n LEU 45 CO 0.05 0.58 1.08 1.23 -1.33 0.00 0.00 177.39 179.00 2kkp h GLY 46 N 3.20 0.06 0.93 -0.72 0.00 -0.11 -1.03 103.07 105.40 2kkp h GLY 46 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2kkp h GLY 46 CO 0.00 0.02 -0.01 1.44 0.00 0.00 0.00 176.54 177.99 2kkp n SER 47 N -4.53 0.19 -4.70 0.19 7.64 -1.26 -1.17 113.62 109.97 2kkp n SER 47 Ca -0.02 -0.89 -0.37 0.00 1.01 0.00 0.00 58.87 58.60 2kkp n SER 47 Cb 0.09 -0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.17 2kkp n SER 47 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kkp s ILE 48 N -2.12 5.27 0.37 0.44 -1.09 -0.39 -4.93 121.20 118.75 2kkp s ILE 48 Ca 0.43 0.58 -0.28 0.00 -2.23 0.00 0.00 60.65 59.15 2kkp s ILE 48 Cb 0.21 -3.66 -0.11 0.00 -1.58 0.00 0.00 42.46 37.32 2kkp s ILE 48 CO 0.39 0.34 1.37 -2.65 -1.23 0.00 0.00 174.94 173.16 2kkp n PRO 49 N 3.92 2.34 -0.34 2.79 -0.02 -1.26 -3.97 135.00 138.45 2kkp n PRO 49 Ca -0.11 0.82 0.02 0.00 -2.02 0.00 0.00 63.50 62.21 2kkp n PRO 49 Cb 0.52 -2.48 0.17 0.00 -0.02 0.00 0.00 33.50 31.68 2kkp n PRO 49 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kkp h LEU 50 N 2.65 0.94 0.00 2.45 3.38 -1.95 0.11 115.31 122.89 2kkp h LEU 50 Ca -0.48 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2kkp h LEU 50 Cb 1.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2kkp h LEU 50 CO 0.63 0.59 0.00 0.29 0.09 0.00 0.00 178.44 180.04 2kkp n LYS 51 N -4.57 0.71 -0.09 1.13 5.02 -1.26 -3.00 118.16 116.11 2kkp n LYS 51 Ca 0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.34 2kkp n LYS 51 Cb 0.20 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 2kkp n LYS 51 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kkp n LYS 52 N -1.14 1.09 -1.67 1.97 4.81 0.15 -4.99 118.16 118.39 2kkp n LYS 52 Ca 0.19 0.02 -0.49 0.00 -0.87 0.00 0.00 58.31 57.16 2kkp n LYS 52 Cb 0.17 -1.43 -0.05 0.00 0.02 0.00 0.00 35.03 33.74 2kkp n LYS 52 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kkp n LEU 53 N -2.74 3.02 -4.52 3.14 -0.00 0.11 -4.97 117.00 111.03 2kkp n LEU 53 Ca -0.30 1.03 -0.24 0.00 -0.00 0.00 0.00 56.01 56.51 2kkp n LEU 53 Cb 1.01 -1.34 -0.09 0.00 -0.00 0.00 0.00 43.42 43.01 2kkp n LEU 53 CO 0.32 -0.27 -0.43 -1.10 -0.00 0.00 0.00 177.39 175.91 2kkp s GLN 54 N 2.76 1.87 0.60 1.96 -0.21 -1.26 -4.83 119.66 120.54 2kkp s GLN 54 Ca 0.89 -1.66 0.31 0.00 0.02 0.00 0.00 55.36 54.92 2kkp s GLN 54 Cb -0.77 -1.89 1.80 0.00 1.00 0.00 0.00 33.01 33.15 2kkp s GLN 54 CO 0.49 0.34 2.19 -1.00 -2.12 0.00 0.00 175.29 175.19 2kkp h PRO 55 N 2.16 0.00 -0.17 2.91 0.13 -1.88 -1.65 132.00 133.50 2kkp h PRO 55 Ca -0.41 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 2kkp h PRO 55 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2kkp h PRO 55 CO 0.60 0.00 -0.37 0.00 -0.23 0.00 0.00 178.00 178.00 2kkp h ALA 56 N 1.87 1.06 -0.30 -0.56 0.00 -1.88 0.67 119.26 120.12 2kkp h ALA 56 Ca 0.04 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2kkp h ALA 56 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kkp h ALA 56 CO -0.00 0.59 -0.29 -0.44 0.00 0.00 0.00 179.25 179.11 2kkp h ASP 57 N 0.31 0.78 0.04 0.00 3.32 -1.71 -1.28 116.42 117.89 2kkp h ASP 57 Ca 0.03 -0.47 -0.12 0.00 0.02 0.00 0.00 57.03 56.50 2kkp h ASP 57 Cb 0.79 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2kkp h ASP 57 CO 0.06 1.08 -0.39 0.40 -1.72 0.00 0.00 179.24 178.68 2kkp h ILE 58 N 0.49 1.30 -0.32 0.35 2.04 -1.49 -1.00 117.51 118.89 2kkp h ILE 58 Ca 0.05 -1.53 0.04 0.00 1.00 0.00 0.00 64.86 64.42 2kkp h ILE 58 Cb 0.86 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 2kkp h ILE 58 CO 0.07 0.47 0.10 -0.61 0.00 0.00 0.00 178.15 178.19 2kkp h GLN 59 N 0.38 0.23 -0.78 2.37 4.15 -0.66 -0.67 115.11 120.13 2kkp h GLN 59 Ca 0.04 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2kkp h GLN 59 Cb 0.85 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.46 2kkp h GLN 59 CO 0.07 0.15 0.36 -0.09 -1.93 0.00 0.00 178.83 177.39 2kkp h ARG 60 N 0.23 1.13 -0.17 1.69 2.43 -0.94 -1.06 114.38 117.69 2kkp h ARG 60 Ca 0.14 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2kkp h ARG 60 Cb 0.12 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2kkp h ARG 60 CO -0.16 0.87 0.01 1.25 -1.51 0.00 0.00 179.97 180.43 2kkp h LEU 61 N 1.11 -0.05 0.31 3.80 7.12 -0.46 0.24 115.31 127.38 2kkp h LEU 61 Ca 0.27 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.30 2kkp h LEU 61 Cb 0.13 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 2kkp h LEU 61 CO -0.03 -0.00 -0.15 1.88 -0.13 0.00 0.00 178.44 180.00 2kkp h TYR 62 N 0.06 -0.40 -0.92 1.25 0.05 -0.87 -2.61 116.97 113.54 2kkp h TYR 62 Ca 0.08 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.89 2kkp h TYR 62 Cb 0.09 0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 2kkp h TYR 62 CO -0.16 -0.25 0.60 0.00 -1.05 0.00 0.00 178.16 177.30 2kkp h ALA 63 N 0.27 1.22 -0.71 3.88 0.00 -0.94 0.38 119.26 123.35 2kkp h ALA 63 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2kkp h ALA 63 Cb 0.33 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2kkp h ALA 63 CO 0.07 0.46 0.30 1.03 0.00 0.00 0.00 179.25 181.11 2kkp h SER 64 N 1.16 0.97 0.73 0.00 0.87 -0.42 0.06 113.55 116.91 2kkp h SER 64 Ca 0.37 -0.16 -0.24 0.00 -1.23 0.00 0.00 61.79 60.53 2kkp h SER 64 Cb 0.01 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2kkp h SER 64 CO -0.12 0.86 -1.10 0.11 -0.53 0.00 0.00 176.83 176.05 2kkp h LYS 65 N 1.01 0.18 -0.31 2.24 1.79 -1.04 -3.05 116.57 117.39 2kkp h LYS 65 Ca 0.24 -0.28 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 2kkp h LYS 65 Cb 0.18 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 2kkp h LYS 65 CO -0.02 1.11 -0.01 -0.07 -1.08 0.00 0.00 179.45 179.38 2kkp h LEU 66 N 0.06 0.45 -1.71 2.94 -0.00 -0.72 -1.36 115.31 114.97 2kkp h LEU 66 Ca -0.08 -0.08 0.01 0.00 -0.00 0.00 0.00 57.88 57.73 2kkp h LEU 66 Cb 1.83 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 42.35 2kkp h LEU 66 CO 0.17 0.52 0.20 -0.08 -0.00 0.00 0.00 178.44 179.26 2kkp h GLU 67 N 0.46 0.39 0.00 1.13 4.81 -0.88 -1.38 114.58 119.11 2kkp h GLU 67 Ca 0.10 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2kkp h GLU 67 Cb 0.31 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2kkp h GLU 67 CO 0.01 0.26 -0.20 0.77 -0.73 0.00 0.00 179.01 179.12 2kkp h SER 68 N 0.40 0.00 -0.43 1.04 0.02 -1.16 -3.48 113.55 109.94 2kkp h SER 68 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2kkp h SER 68 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2kkp h SER 68 CO -0.03 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 2kkp n GLY 69 N 0.92 0.84 3.88 -3.77 0.00 -0.52 -5.09 105.19 101.45 2kkp n GLY 69 Ca 0.03 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2kkp n GLY 69 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kkp s LEU 70 N -0.43 3.21 0.12 0.99 2.34 -1.21 -5.00 118.68 118.70 2kkp s LEU 70 Ca 0.00 1.26 -0.31 0.00 0.06 0.00 0.00 54.13 55.14 2kkp s LEU 70 Cb 0.00 -4.23 -0.08 0.00 -0.56 0.00 0.00 46.19 41.32 2kkp s LEU 70 CO 0.00 -0.95 1.47 -0.44 -1.06 0.00 0.00 176.35 175.38 2kkp s SER 71 N -4.22 6.73 0.42 1.48 0.01 -1.26 -4.90 113.70 111.96 2kkp s SER 71 Ca 0.55 2.42 0.15 0.00 1.31 0.00 0.00 55.95 60.38 2kkp s SER 71 Cb -0.11 -2.59 1.03 0.00 0.21 0.00 0.00 66.02 64.57 2kkp s SER 71 CO 0.52 -0.73 1.93 -0.65 0.41 0.00 0.00 173.24 174.71 2kkp h PRO 72 N 7.00 0.42 -0.04 12.44 0.11 -2.00 0.90 132.00 150.84 2kkp h PRO 72 Ca -0.42 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2kkp h PRO 72 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2kkp h PRO 72 CO 0.89 0.28 -0.09 1.79 -0.21 0.00 0.00 178.00 180.66 2kkp h THR 73 N 0.43 1.09 0.09 -1.15 1.35 -1.99 0.16 112.91 112.90 2kkp h THR 73 Ca 0.36 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2kkp h THR 73 Cb 0.78 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2kkp h THR 73 CO -0.11 0.12 -0.04 -0.09 -0.25 0.00 0.00 175.52 175.14 2kkp h ARG 74 N 0.06 -0.12 0.00 4.72 9.65 -1.20 -2.57 114.38 124.92 2kkp h ARG 74 Ca 0.01 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 2kkp h ARG 74 Cb 0.19 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 2kkp h ARG 74 CO 0.01 0.39 -0.35 -0.24 2.80 0.00 0.00 179.97 182.58 2kkp h VAL 75 N -0.72 1.04 -0.53 0.20 3.04 -1.33 -1.33 116.25 116.61 2kkp h VAL 75 Ca -0.01 -1.30 -0.07 0.00 -1.01 0.00 0.00 66.70 64.30 2kkp h VAL 75 Cb 0.56 1.75 -0.02 0.00 -2.01 0.00 0.00 31.29 31.57 2kkp h VAL 75 CO 0.02 0.34 0.04 -0.09 -1.01 0.00 0.00 177.57 176.88 2kkp h ARG 76 N 0.00 0.91 -0.59 4.17 2.43 -1.00 -0.64 114.38 119.67 2kkp h ARG 76 Ca -0.00 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 2kkp h ARG 76 Cb 0.72 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2kkp h ARG 76 CO 0.05 0.91 0.18 -0.92 -1.51 0.00 0.00 179.97 178.68 2kkp h TYR 77 N 0.79 0.95 -0.94 2.20 3.20 -0.99 -2.50 116.97 119.68 2kkp h TYR 77 Ca 0.16 -0.10 0.08 0.00 3.14 0.00 0.00 58.73 62.01 2kkp h TYR 77 Cb 0.47 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.40 2kkp h TYR 77 CO 0.03 0.79 0.59 0.82 -1.64 0.00 0.00 178.16 178.75 2kkp h ILE 78 N 0.83 1.03 -0.45 1.81 1.08 -0.92 0.35 117.51 121.23 2kkp h ILE 78 Ca 0.19 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2kkp h ILE 78 Cb 0.29 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 33.91 2kkp h ILE 78 CO -0.01 0.19 0.29 -0.74 -0.69 0.00 0.00 178.15 177.20 2kkp h HIS 79 N 1.04 0.58 0.11 1.37 2.76 -0.70 -0.07 115.15 120.25 2kkp h HIS 79 Ca 0.42 0.01 -0.28 0.00 -2.20 0.00 0.00 60.37 58.32 2kkp h HIS 79 Cb 0.24 -0.19 0.01 0.00 1.55 0.00 0.00 27.41 29.01 2kkp h HIS 79 CO -0.02 0.38 -1.20 -0.39 -1.30 0.00 0.00 177.93 175.41 2kkp h VAL 80 N 0.61 1.40 -0.13 5.26 -1.51 -1.10 -1.81 116.25 118.98 2kkp h VAL 80 Ca 0.17 -2.74 -0.19 0.00 -1.23 0.00 0.00 66.70 62.70 2kkp h VAL 80 Cb -0.04 2.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 2kkp h VAL 80 CO -0.03 0.81 -0.71 1.62 -1.23 0.00 0.00 177.57 178.03 2kkp h VAL 81 N 0.16 1.33 0.00 7.19 3.04 -0.87 -0.61 116.25 126.49 2kkp h VAL 81 Ca -0.15 -2.00 -0.14 0.00 -1.01 0.00 0.00 66.70 63.40 2kkp h VAL 81 Cb 1.89 1.98 -0.02 0.00 -2.01 0.00 0.00 31.29 33.13 2kkp h VAL 81 CO 0.21 0.62 -0.65 0.25 -1.01 0.00 0.00 177.57 176.99 2kkp h LEU 82 N 0.41 0.00 0.11 3.16 5.85 -1.09 -0.90 115.31 122.85 2kkp h LEU 82 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2kkp h LEU 82 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2kkp h LEU 82 CO 0.13 0.65 -0.05 -0.74 -0.34 0.00 0.00 178.44 178.09 2kkp h HIS 83 N 0.00 -0.14 -0.00 1.25 2.76 -1.05 -1.51 115.15 116.46 2kkp h HIS 83 Ca -0.01 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2kkp h HIS 83 Cb 1.18 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 30.18 2kkp h HIS 83 CO 0.00 -0.04 -0.02 1.49 -1.30 0.00 0.00 177.93 178.06 2kkp h GLU 84 N -0.21 -0.03 -0.44 5.26 4.57 -0.94 -1.85 114.58 120.93 2kkp h GLU 84 Ca -0.02 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2kkp h GLU 84 Cb 0.17 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 2kkp h GLU 84 CO 0.03 -0.02 0.25 0.00 -1.18 0.00 0.00 179.01 178.08 2kkp h ALA 85 N 0.96 0.56 0.00 2.92 0.00 -1.12 -2.12 119.26 120.47 2kkp h ALA 85 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2kkp h ALA 85 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kkp h ALA 85 CO -0.02 -0.08 -0.36 0.52 0.00 0.00 0.00 179.25 179.30 2kkp h MET 86 N 0.50 0.00 0.00 0.00 2.86 -1.21 -2.74 114.93 114.34 2kkp h MET 86 Ca 0.18 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 2kkp h MET 86 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2kkp h MET 86 CO -0.10 0.36 -0.47 0.77 1.06 0.00 0.00 176.91 178.54 2kkp h SER 87 N 0.00 0.00 -0.72 1.22 0.02 -0.68 -1.92 113.55 111.47 2kkp h SER 87 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2kkp h SER 87 Cb 0.89 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 2kkp h SER 87 CO 0.05 0.47 0.35 -0.61 -1.14 0.00 0.00 176.83 175.95 2kkp h GLN 88 N 0.00 1.03 -0.64 3.45 -0.00 -1.13 0.35 115.11 118.17 2kkp h GLN 88 Ca -0.00 -0.15 -0.06 0.00 -0.00 0.00 0.00 58.65 58.44 2kkp h GLN 88 Cb 0.92 -0.19 -0.03 0.00 0.00 0.00 0.00 27.48 28.18 2kkp h GLN 88 CO 0.06 0.80 0.15 0.00 0.00 0.00 0.00 178.83 179.85 2kkp h ALA 89 N 1.17 0.84 -0.37 3.38 0.00 -1.50 -1.64 119.26 121.13 2kkp h ALA 89 Ca 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kkp h ALA 89 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2kkp h ALA 89 CO -0.03 0.56 0.23 -0.09 0.00 0.00 0.00 179.25 179.91 2kkp h ARG 90 N 0.94 0.51 0.00 0.00 9.65 -0.72 -2.44 114.38 122.32 2kkp h ARG 90 Ca 0.20 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.01 2kkp h ARG 90 Cb 0.36 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2kkp h ARG 90 CO 0.00 0.38 -0.14 0.93 2.80 0.00 0.00 179.97 183.94 2kkp h GLU 91 N 0.49 0.00 0.00 0.20 4.39 -0.08 -0.00 114.58 119.58 2kkp h GLU 91 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2kkp h GLU 91 Cb -0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2kkp h GLU 91 CO -0.03 0.14 0.00 0.43 -1.16 0.00 0.00 179.01 178.39 2kkp n SER 92 N -3.65 0.82 0.00 1.42 7.64 -0.64 -4.91 113.62 114.30 2kkp n SER 92 Ca -0.02 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2kkp n SER 92 Cb 0.26 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2kkp n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkp n GLY 93 N 1.16 1.09 0.09 0.23 0.00 -0.01 -4.88 105.19 102.87 2kkp n GLY 93 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2kkp n GLY 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kkp n LEU 94 N 0.00 0.75 -4.13 0.99 -0.00 -1.09 -4.64 117.00 108.88 2kkp n LEU 94 Ca 0.00 0.50 -0.32 0.00 -0.00 0.00 0.00 56.01 56.19 2kkp n LEU 94 Cb 0.00 -0.30 -0.16 0.00 -0.00 0.00 0.00 43.42 42.95 2kkp n LEU 94 CO 0.00 -0.14 -0.53 -0.22 -0.00 0.00 0.00 177.39 176.49 2kkp s LEU 95 N -4.38 2.04 0.16 1.47 2.96 -1.13 -4.80 118.68 115.00 2kkp s LEU 95 Ca 0.10 -0.59 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 2kkp s LEU 95 Cb 0.13 -1.40 -0.07 0.00 0.50 0.00 0.00 46.19 45.35 2kkp s LEU 95 CO 0.62 0.04 1.35 0.17 -1.32 0.00 0.00 176.35 177.21 2kkp h LEU 96 N 7.58 0.05 -8.16 -0.68 -0.00 -1.91 -3.38 115.31 108.81 2kkp h LEU 96 Ca -0.37 -0.05 -0.19 0.00 -0.00 0.00 0.00 57.88 57.27 2kkp h LEU 96 Cb 1.17 -0.02 -0.19 0.00 -0.00 0.00 0.00 40.66 41.63 2kkp h LEU 96 CO 0.57 0.94 -0.70 0.00 -0.00 0.00 0.00 178.44 179.25 2kkp s GLN 97 N -2.96 0.51 -0.52 0.17 1.03 -1.26 -5.09 119.66 111.55 2kkp s GLN 97 Ca -0.00 -0.90 -0.19 0.00 0.04 0.00 0.00 55.36 54.31 2kkp s GLN 97 Cb 0.10 -0.02 0.07 0.00 0.03 0.00 0.00 33.01 33.19 2kkp s GLN 97 CO 0.81 -0.03 0.62 -0.80 -2.54 0.00 0.00 175.29 173.35 2kkp s ASN 98 N -2.06 6.21 0.45 12.60 -0.87 -1.26 -4.92 114.94 125.09 2kkp s ASN 98 Ca -0.05 -1.02 0.22 0.00 -1.57 0.00 0.00 52.86 50.44 2kkp s ASN 98 Cb -0.04 -2.28 1.06 0.00 -0.02 0.00 0.00 41.25 39.97 2kkp s ASN 98 CO -0.03 -0.90 1.92 -0.65 -2.57 0.00 0.00 177.10 174.86 2kkp h PRO 99 N 9.00 0.00 -0.00 -0.60 0.11 -1.93 -1.83 132.00 136.75 2kkp h PRO 99 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2kkp h PRO 99 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2kkp h PRO 99 CO 0.98 0.24 -0.14 0.25 -0.21 0.00 0.00 178.00 179.12 2kkp n THR 100 N -3.68 0.00 0.08 -1.15 -2.24 -1.26 -2.85 114.28 103.18 2kkp n THR 100 Ca -0.01 -0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 2kkp n THR 100 Cb 0.35 -0.29 -0.14 0.00 -2.10 0.00 0.00 70.33 68.16 2kkp n THR 100 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kkp h GLU 101 N 0.01 0.19 -0.39 -0.78 4.57 -1.71 -3.32 114.58 113.15 2kkp h GLU 101 Ca 0.00 -0.33 -0.15 0.00 -1.18 0.00 0.00 59.36 57.71 2kkp h GLU 101 Cb 0.50 0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 29.12 2kkp h GLU 101 CO 0.00 1.12 0.03 0.00 -1.18 0.00 0.00 179.01 178.98 2kkp n ALA 102 N -2.51 3.95 -2.57 2.92 0.00 -1.21 -4.96 120.51 116.14 2kkp n ALA 102 Ca -0.08 -2.78 -0.43 0.00 0.00 0.00 0.00 53.44 50.15 2kkp n ALA 102 Cb 1.01 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 2kkp n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kkp s ALA 103 N -3.09 3.36 0.15 0.00 0.00 -1.13 -4.81 121.76 116.24 2kkp s ALA 103 Ca 0.45 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 2kkp s ALA 103 Cb 0.39 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 2kkp s ALA 103 CO 0.05 -1.69 1.19 0.15 0.00 0.00 0.00 175.76 175.45 2kkp s LYS 104 N 3.22 4.49 0.54 0.00 1.02 -1.26 -4.97 119.74 122.78 2kkp s LYS 104 Ca 0.31 1.83 -0.19 0.00 0.02 0.00 0.00 55.97 57.95 2kkp s LYS 104 Cb -0.12 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.85 2kkp s LYS 104 CO 0.20 -0.11 1.07 -2.14 -0.92 0.00 0.00 175.35 173.44 2kkp s PRO 105 N 0.08 3.51 0.54 -1.68 0.02 -1.26 -4.66 135.00 131.56 2kkp s PRO 105 Ca 0.54 1.37 0.22 0.00 0.02 0.00 0.00 61.00 63.15 2kkp s PRO 105 Cb -0.32 -2.05 1.40 0.00 0.02 0.00 0.00 34.50 33.55 2kkp s PRO 105 CO 0.34 -0.67 2.08 -1.35 -0.33 0.00 0.00 177.00 177.07 2kkp h PRO 106 N 1.08 0.00 -6.18 5.54 0.11 -1.92 -3.38 132.00 127.26 2kkp h PRO 106 Ca -0.49 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.09 2kkp h PRO 106 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2kkp h PRO 106 CO 0.58 0.00 1.25 1.03 -0.21 0.00 0.00 178.00 180.65 2kkp s ARG 107 N -4.97 2.99 -0.14 1.05 1.81 -1.26 -4.98 118.95 113.45 2kkp s ARG 107 Ca -0.05 0.72 -0.13 0.00 -1.72 0.00 0.00 55.73 54.55 2kkp s ARG 107 Cb 0.18 -4.26 -0.05 0.00 -0.45 0.00 0.00 34.95 30.37 2kkp s ARG 107 CO 0.67 -2.29 0.30 -1.01 -0.68 0.00 0.00 175.30 172.29 2kkp s HIS 108 N 7.62 3.50 0.83 -0.53 3.76 -1.26 -5.07 115.29 124.15 2kkp s HIS 108 Ca 0.65 0.64 -0.13 0.00 -0.15 0.00 0.00 55.06 56.07 2kkp s HIS 108 Cb -0.14 -2.31 0.08 0.00 1.11 0.00 0.00 32.58 31.33 2kkp s HIS 108 CO 0.25 0.32 1.10 -2.30 -0.85 0.00 0.00 174.74 173.26 2kkp n PRO 109 N 3.25 0.05 0.00 8.40 -0.02 -1.26 -4.85 135.00 140.57 2kkp n PRO 109 Ca -0.13 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2kkp n PRO 109 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2kkp n PRO 109 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2kkp n LEU 110 N -3.13 2.14 0.00 2.45 -0.00 -1.26 -4.83 117.00 112.37 2kkp n LEU 110 Ca 0.13 -1.07 -0.29 0.00 -0.00 0.00 0.00 56.01 54.77 2kkp n LEU 110 Cb 0.51 -0.45 0.22 0.00 -0.00 0.00 0.00 43.42 43.69 2kkp n LEU 110 CO 0.49 0.38 0.80 -0.62 -0.00 0.00 0.00 177.39 178.44 2kkp n GLU 111 N 0.40 -1.77 -2.71 1.47 1.02 -1.26 -4.94 120.64 112.85 2kkp n GLU 111 Ca 0.00 -1.96 -0.43 0.00 -0.02 0.00 0.00 57.16 54.75 2kkp n GLU 111 Cb 0.38 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.36 2kkp n GLU 111 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kkp s HIS 112 N -3.65 2.90 -0.55 -0.32 3.76 -1.26 -4.87 115.29 111.30 2kkp s HIS 112 Ca 0.74 -1.43 0.04 0.00 -0.15 0.00 0.00 55.06 54.26 2kkp s HIS 112 Cb -0.03 -4.57 0.14 0.00 1.11 0.00 0.00 32.58 29.23 2kkp s HIS 112 CO 0.53 -1.71 0.33 -1.58 -0.85 0.00 0.00 174.74 171.45 2kkp s HIS 113 N 3.69 2.94 -0.19 1.40 5.04 -1.26 -5.08 115.29 121.83 2kkp s HIS 113 Ca 0.45 -3.03 -0.05 0.00 -1.54 0.00 0.00 55.06 50.90 2kkp s HIS 113 Cb -0.00 -2.50 -0.02 0.00 0.04 0.00 0.00 32.58 30.09 2kkp s HIS 113 CO -0.02 -0.70 -0.01 -1.01 -2.34 0.00 0.00 174.74 170.66 2kkp s HIS 114 N -0.47 3.03 -0.27 3.88 3.76 -1.26 -5.09 115.29 118.87 2kkp s HIS 114 Ca 0.20 -0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 54.42 2kkp s HIS 114 Cb -0.18 -2.06 0.07 0.00 1.11 0.00 0.00 32.58 31.52 2kkp s HIS 114 CO -0.06 -0.21 0.75 -3.38 -0.85 0.00 0.00 174.74 170.99 2kkp s HIS 115 N 0.89 -0.77 0.00 1.40 -3.43 -1.26 -4.99 115.29 107.13 2kkp s HIS 115 Ca 0.01 1.86 0.00 0.00 -0.80 0.00 0.00 55.06 56.13 2kkp s HIS 115 Cb -0.14 0.28 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 2kkp s HIS 115 CO 0.02 -0.37 0.00 -2.39 -2.00 0.00 0.00 174.74 170.00 2kkp n HIS 116 N 2.67 0.00 -0.49 0.38 1.44 -1.26 -5.35 115.22 112.61 2kkp n HIS 116 Ca -0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 2kkp n HIS 116 Cb 0.55 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 2kkp n HIS 116 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11