#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkp h ILE 2 N 0.00 0.91 -3.41 2.02 2.04 -2.14 -3.42 117.51 113.51 2kkp h ILE 2 Ca 0.00 -2.42 -0.64 0.00 1.00 0.00 0.00 64.86 62.80 2kkp h ILE 2 Cb 0.00 2.68 -0.41 0.00 -0.74 0.00 0.00 36.82 38.35 2kkp h ILE 2 CO 0.00 0.79 -0.64 -0.70 0.00 0.00 0.00 178.15 177.60 2kkp s GLU 3 N -2.53 1.91 -0.06 2.37 2.12 -1.26 -4.94 118.70 116.32 2kkp s GLU 3 Ca -0.19 -2.54 -0.26 0.00 0.36 0.00 0.00 54.97 52.35 2kkp s GLU 3 Cb 0.05 -3.30 -0.23 0.00 0.26 0.00 0.00 34.13 30.92 2kkp s GLU 3 CO 0.79 -1.09 1.05 -1.35 -0.54 0.00 0.00 175.26 174.12 2kkp h PRO 4 N 6.62 0.10 0.00 4.30 0.11 -2.12 -3.50 132.00 137.51 2kkp h PRO 4 Ca -0.07 -0.09 0.26 0.00 0.11 0.00 0.00 66.00 66.20 2kkp h PRO 4 Cb 0.91 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.97 2kkp h PRO 4 CO 0.67 0.81 -0.34 0.43 -0.21 0.00 0.00 178.00 179.36 2kkp n SER 5 N -4.63 -7.68 -3.60 -2.05 7.64 -1.26 -5.04 113.62 97.01 2kkp n SER 5 Ca -0.09 1.02 -0.07 0.00 1.01 0.00 0.00 58.87 60.74 2kkp n SER 5 Cb 0.42 -2.87 -0.04 0.00 -1.01 0.00 0.00 64.21 60.71 2kkp n SER 5 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2kkp s LYS 6 N -1.46 0.36 -1.00 1.43 -2.85 -1.26 -5.09 119.74 109.88 2kkp s LYS 6 Ca 0.00 0.07 -0.23 0.00 -1.00 0.00 0.00 55.97 54.80 2kkp s LYS 6 Cb 0.00 0.17 0.02 0.00 -2.06 0.00 0.00 37.83 35.96 2kkp s LYS 6 CO 0.00 -0.12 1.62 -1.50 0.10 0.00 0.00 175.35 175.45 2kkp s ILE 7 N -1.20 3.77 0.18 3.79 2.07 -1.26 -4.89 121.20 123.67 2kkp s ILE 7 Ca 0.03 -0.68 0.09 0.00 -1.41 0.00 0.00 60.65 58.69 2kkp s ILE 7 Cb -0.01 -4.73 -0.04 0.00 0.13 0.00 0.00 42.46 37.81 2kkp s ILE 7 CO -0.03 -1.62 -0.19 -0.89 -1.91 0.00 0.00 174.94 170.30 2kkp s THR 8 N 6.64 1.96 0.04 4.00 2.01 -1.26 -4.37 115.64 124.66 2kkp s THR 8 Ca 0.54 -2.00 -0.20 0.00 0.31 0.00 0.00 61.69 60.34 2kkp s THR 8 Cb -0.02 -1.94 -0.15 0.00 0.01 0.00 0.00 72.50 70.40 2kkp s THR 8 CO -0.06 -0.30 1.33 0.58 -0.69 0.00 0.00 174.62 175.47 2kkp h VAL 9 N 3.12 1.35 0.00 3.82 2.07 -1.36 -2.89 116.25 122.37 2kkp h VAL 9 Ca -0.42 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 65.73 2kkp h VAL 9 Cb 1.21 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2kkp h VAL 9 CO 0.52 0.40 0.00 1.05 0.02 0.00 0.00 177.57 179.56 2kkp h GLU 10 N -0.01 0.00 0.57 1.57 4.11 -1.96 -2.64 114.58 116.22 2kkp h GLU 10 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 2kkp h GLU 10 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2kkp h GLU 10 CO 0.04 0.00 -0.27 0.37 0.07 0.00 0.00 179.01 179.22 2kkp h GLN 11 N 0.00 -0.74 0.00 1.06 -0.00 -1.85 -0.59 115.11 112.99 2kkp h GLN 11 Ca 0.00 0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.64 2kkp h GLN 11 Cb 0.36 0.17 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 2kkp h GLN 11 CO 0.00 -0.49 -0.28 0.11 0.00 0.00 0.00 178.83 178.17 2kkp h TRP 12 N -1.00 0.00 -0.42 3.99 5.08 -1.55 -1.53 115.95 120.53 2kkp h TRP 12 Ca -0.08 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.86 2kkp h TRP 12 Cb 0.59 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.73 2kkp h TRP 12 CO 0.03 0.28 0.15 -0.07 -1.28 0.00 0.00 178.44 177.55 2kkp h LEU 13 N 0.00 0.59 -0.85 0.11 -0.00 -1.48 0.84 115.31 114.52 2kkp h LEU 13 Ca -0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 57.88 57.63 2kkp h LEU 13 Cb 0.77 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 2kkp h LEU 13 CO 0.04 0.62 -0.29 -1.13 -0.00 0.00 0.00 178.44 177.68 2kkp h ASN 14 N 0.53 0.00 -0.15 -0.43 -1.24 -0.46 -0.72 115.58 113.12 2kkp h ASN 14 Ca 0.14 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.96 2kkp h ASN 14 Cb 0.23 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.28 2kkp h ASN 14 CO -0.01 0.29 -0.65 0.03 -1.29 0.00 0.00 177.43 175.81 2kkp h ARG 15 N 0.00 0.70 -0.80 6.67 2.47 -1.13 -3.17 114.38 119.12 2kkp h ARG 15 Ca -0.00 -0.55 0.04 0.00 -1.26 0.00 0.00 59.98 58.21 2kkp h ARG 15 Cb 0.89 0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 29.28 2kkp h ARG 15 CO 0.04 1.17 0.53 2.35 0.56 0.00 0.00 179.97 184.61 2kkp h TRP 16 N 0.39 0.93 -0.44 3.04 2.91 -0.22 -2.10 115.95 120.46 2kkp h TRP 16 Ca -0.04 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.09 2kkp h TRP 16 Cb 1.28 -0.31 -0.09 0.00 -0.51 0.00 0.00 29.16 29.53 2kkp h TRP 16 CO 0.10 0.53 -0.20 -0.07 -1.03 0.00 0.00 178.44 177.76 2kkp h LEU 17 N 0.95 -0.70 -1.40 0.65 3.38 -1.12 0.20 115.31 117.28 2kkp h LEU 17 Ca 0.33 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 2kkp h LEU 17 Cb 0.10 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2kkp h LEU 17 CO -0.10 -0.23 -0.26 0.74 0.09 0.00 0.00 178.44 178.68 2kkp h THR 18 N -0.12 0.82 0.44 0.22 2.02 -1.46 -1.24 112.91 113.59 2kkp h THR 18 Ca 0.21 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 2kkp h THR 18 Cb 0.44 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2kkp h THR 18 CO -0.51 0.25 -0.21 -0.78 0.37 0.00 0.00 175.52 174.64 2kkp h ASP 19 N 0.00 -0.50 -0.42 4.18 1.82 -0.58 -3.36 116.42 117.56 2kkp h ASP 19 Ca -0.00 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2kkp h ASP 19 Cb 0.61 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.75 2kkp h ASP 19 CO 0.03 -0.11 0.00 0.00 -1.61 0.00 0.00 179.24 177.55 2kkp n TYR 20 N -4.97 0.55 0.09 0.28 4.11 -0.37 -4.02 117.16 112.83 2kkp n TYR 20 Ca -0.07 -0.28 0.17 0.00 -0.00 0.00 0.00 57.90 57.72 2kkp n TYR 20 Cb 0.23 0.00 0.70 0.00 -0.00 0.00 0.00 39.34 40.27 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kkp h ALA 21 N 4.16 2.28 -2.56 -3.48 0.00 -1.37 -3.22 119.26 115.06 2kkp h ALA 21 Ca 0.00 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 2kkp h ALA 21 Cb 0.75 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.17 2kkp h ALA 21 CO 0.00 -0.44 -0.87 -1.59 0.00 0.00 0.00 179.25 176.35 2kkp s LYS 22 N -4.97 1.27 0.00 0.00 -2.85 -1.26 -5.11 119.74 106.82 2kkp s LYS 22 Ca -0.05 -2.37 0.00 0.00 -1.00 0.00 0.00 55.97 52.55 2kkp s LYS 22 Cb 0.18 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 34.04 2kkp s LYS 22 CO 0.69 -1.35 0.00 -0.35 0.10 0.00 0.00 175.35 174.44 2kkp n PRO 23 N 2.70 3.16 -4.61 1.78 -0.04 -1.22 -5.09 135.00 131.69 2kkp n PRO 23 Ca 0.26 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.49 2kkp n PRO 23 Cb 0.44 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.74 2kkp n PRO 23 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2kkp s HIS 24 N 1.46 1.31 0.00 0.54 -3.43 -1.26 -4.97 115.29 108.94 2kkp s HIS 24 Ca 0.00 -0.35 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 2kkp s HIS 24 Cb 0.00 -0.90 0.00 0.00 -1.43 0.00 0.00 32.58 30.25 2kkp s HIS 24 CO 0.00 -0.13 0.00 1.28 -2.00 0.00 0.00 174.74 173.89 2kkp n LEU 25 N 3.20 0.00 -4.65 5.38 4.77 -1.26 -4.85 117.00 119.60 2kkp n LEU 25 Ca -0.18 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.38 2kkp n LEU 25 Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 2kkp n LEU 25 CO 0.25 0.00 1.41 0.00 -1.33 0.00 0.00 177.39 177.72 2kkp s ARG 26 N 0.00 3.97 0.04 3.23 1.70 -1.26 -4.98 118.95 121.65 2kkp s ARG 26 Ca 0.00 2.01 0.06 0.00 -0.47 0.00 0.00 55.73 57.34 2kkp s ARG 26 Cb 0.00 -4.04 -0.02 0.00 -0.57 0.00 0.00 34.95 30.32 2kkp s ARG 26 CO 0.00 -1.09 -0.18 1.14 -1.08 0.00 0.00 175.30 174.09 2kkp s GLN 27 N 4.43 1.19 0.00 3.89 -2.07 -1.26 -4.87 119.66 120.97 2kkp s GLN 27 Ca 0.75 -0.87 0.00 0.00 -1.82 0.00 0.00 55.36 53.42 2kkp s GLN 27 Cb -0.31 -1.27 0.00 0.00 -1.09 0.00 0.00 33.01 30.34 2kkp s GLN 27 CO 0.30 0.32 0.00 0.45 -1.32 0.00 0.00 175.29 175.04 2kkp n SER 28 N 1.85 0.00 -4.56 12.60 2.88 -1.26 -5.04 113.62 120.09 2kkp n SER 28 Ca -0.18 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 56.98 2kkp n SER 28 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 2kkp n SER 28 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kkp s THR 29 N -3.00 3.86 0.32 2.46 2.01 -1.26 -4.80 115.64 115.23 2kkp s THR 29 Ca 0.00 -0.76 0.08 0.00 0.31 0.00 0.00 61.69 61.31 2kkp s THR 29 Cb 0.00 -4.91 0.07 0.00 0.01 0.00 0.00 72.50 67.66 2kkp s THR 29 CO 0.00 -1.79 1.75 -0.50 -0.69 0.00 0.00 174.62 173.39 2kkp h TRP 30 N 9.90 0.24 0.00 4.92 6.55 -1.98 -2.89 115.95 132.70 2kkp h TRP 30 Ca 0.20 -0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.98 2kkp h TRP 30 Cb 1.00 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.24 2kkp h TRP 30 CO 1.28 0.54 0.00 -1.91 -1.05 0.00 0.00 178.44 177.30 2kkp n GLU 31 N -4.08 0.52 0.27 0.49 2.13 -1.26 -3.09 120.64 115.62 2kkp n GLU 31 Ca -0.01 0.04 0.12 0.00 0.66 0.00 0.00 57.16 57.97 2kkp n GLU 31 Cb 0.43 -1.50 0.78 0.00 0.27 0.00 0.00 31.44 31.42 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 0.00 0.51 4.31 0.02 -1.92 -0.43 113.55 116.04 2kkp h SER 32 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2kkp h SER 32 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2kkp h SER 32 CO 0.00 0.00 -1.46 1.88 -1.14 0.00 0.00 176.83 176.11 2kkp h TYR 33 N 0.00 0.43 0.06 3.45 -1.99 -1.80 -3.36 116.97 113.75 2kkp h TYR 33 Ca 0.01 -0.31 -0.08 0.00 2.00 0.00 0.00 58.73 60.35 2kkp h TYR 33 Cb 0.04 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 38.77 2kkp h TYR 33 CO 0.00 1.33 -0.33 1.49 -0.00 0.00 0.00 178.16 180.65 2kkp h GLU 34 N 0.06 0.13 0.00 4.88 4.22 -1.50 -3.22 114.58 119.15 2kkp h GLU 34 Ca -0.21 -0.21 0.02 0.00 0.08 0.00 0.00 59.36 59.04 2kkp h GLU 34 Cb 2.00 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.30 2kkp h GLU 34 CO 0.17 1.09 -0.12 1.15 -2.18 0.00 0.00 179.01 179.12 2kkp h THR 35 N -0.73 0.71 -0.81 0.32 2.02 -1.32 -1.18 112.91 111.91 2kkp h THR 35 Ca -0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.14 2kkp h THR 35 Cb 1.25 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 2kkp h THR 35 CO 0.06 0.00 0.54 -0.37 0.37 0.00 0.00 175.52 176.12 2kkp h VAL 36 N -0.20 1.19 0.49 3.16 -1.51 -1.71 -0.01 116.25 117.65 2kkp h VAL 36 Ca 0.04 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 65.12 2kkp h VAL 36 Cb 0.25 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.44 2kkp h VAL 36 CO -0.11 0.20 -0.23 -0.07 -1.23 0.00 0.00 177.57 176.12 2kkp h LEU 37 N 1.07 -0.55 -1.08 4.19 4.07 -1.45 -2.53 115.31 119.03 2kkp h LEU 37 Ca 0.30 0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.30 2kkp h LEU 37 Cb -0.09 0.14 -0.05 0.00 1.08 0.00 0.00 40.66 41.74 2kkp h LEU 37 CO -0.07 -0.32 0.62 0.08 -1.08 0.00 0.00 178.44 177.67 2kkp h ARG 38 N -0.81 1.20 -0.84 1.13 0.11 -1.11 0.51 114.38 114.58 2kkp h ARG 38 Ca -0.07 -0.07 -0.02 0.00 0.10 0.00 0.00 59.98 59.93 2kkp h ARG 38 Cb 0.50 -0.27 -0.04 0.00 1.11 0.00 0.00 29.97 31.27 2kkp h ARG 38 CO 0.11 0.80 0.46 1.25 0.10 0.00 0.00 179.97 182.69 2kkp h LEU 39 N 1.24 1.04 0.00 0.08 5.85 -1.06 -2.95 115.31 119.51 2kkp h LEU 39 Ca 0.36 -0.10 -0.35 0.00 0.84 0.00 0.00 57.88 58.63 2kkp h LEU 39 Cb -0.08 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.63 2kkp h LEU 39 CO -0.09 0.84 -2.16 1.41 -0.34 0.00 0.00 178.44 178.09 2kkp n HIS 40 N -4.39 0.00 0.94 1.25 8.25 -0.76 -4.70 115.22 115.82 2kkp n HIS 40 Ca 0.08 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.65 2kkp n HIS 40 Cb 0.09 -0.85 0.01 0.00 1.12 0.00 0.00 29.99 30.36 2kkp n HIS 40 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2kkp n VAL 41 N -4.23 0.01 0.03 1.59 0.24 0.17 -4.25 118.33 111.90 2kkp n VAL 41 Ca -0.44 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.34 61.64 2kkp n VAL 41 Cb 0.79 0.68 -0.12 0.00 -1.47 0.00 0.00 33.84 33.71 2kkp n VAL 41 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2kkp h ILE 42 N 0.00 1.43 0.00 1.34 5.03 -1.31 0.48 117.51 124.48 2kkp h ILE 42 Ca 0.00 -2.28 0.00 0.00 -0.12 0.00 0.00 64.86 62.46 2kkp h ILE 42 Cb 0.53 2.80 0.00 0.00 -3.03 0.00 0.00 36.82 37.12 2kkp h ILE 42 CO 0.00 0.66 0.00 -2.65 -0.68 0.00 0.00 178.15 175.48 2kkp n PRO 43 N -4.12 0.17 -0.01 2.37 -0.02 -1.25 -1.40 135.00 130.73 2kkp n PRO 43 Ca -0.12 0.53 -0.02 0.00 -2.02 0.00 0.00 63.50 61.88 2kkp n PRO 43 Cb 0.77 -1.91 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 2kkp n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kkp n THR 44 N -2.24 0.38 0.71 3.45 -2.24 -1.20 -4.83 114.28 108.30 2kkp n THR 44 Ca 0.00 0.31 0.08 0.00 -2.27 0.00 0.00 64.05 62.17 2kkp n THR 44 Cb 0.13 -1.54 0.04 0.00 -2.10 0.00 0.00 70.33 66.86 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 -2.94 2.06 0.18 3.22 4.77 0.13 -4.51 117.00 119.91 2kkp n LEU 45 Ca -0.03 -0.89 0.05 0.00 -0.03 0.00 0.00 56.01 55.11 2kkp n LEU 45 Cb 0.09 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.66 2kkp n LEU 45 CO 0.04 0.37 0.94 1.23 -1.33 0.00 0.00 177.39 178.64 2kkp h GLY 46 N 3.38 0.12 -1.08 -0.72 0.00 0.62 -1.19 103.07 104.19 2kkp h GLY 46 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2kkp h GLY 46 CO 0.00 0.06 0.00 1.44 0.00 0.00 0.00 176.54 178.04 2kkp n SER 47 N -4.35 1.68 -4.56 0.19 7.64 -1.24 -1.08 113.62 111.90 2kkp n SER 47 Ca -0.02 -1.93 -0.35 0.00 1.01 0.00 0.00 58.87 57.58 2kkp n SER 47 Cb 0.22 -0.19 -0.11 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.62 4.60 0.30 0.44 1.01 -0.45 -4.95 121.20 120.53 2kkp s ILE 48 Ca 0.24 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 2kkp s ILE 48 Cb 0.12 -3.10 -0.13 0.00 0.01 0.00 0.00 42.46 39.37 2kkp s ILE 48 CO 0.17 0.41 1.37 -2.65 0.00 0.00 0.00 174.94 174.24 2kkp n PRO 49 N 4.06 2.18 0.27 2.79 -0.02 -1.26 -4.60 135.00 138.42 2kkp n PRO 49 Ca -0.16 0.77 0.11 0.00 -2.02 0.00 0.00 63.50 62.20 2kkp n PRO 49 Cb 0.52 -2.40 0.77 0.00 -0.02 0.00 0.00 33.50 32.36 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 3.36 0.00 -0.94 2.45 3.38 -1.94 0.23 115.31 121.84 2kkp h LEU 50 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2kkp h LEU 50 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2kkp h LEU 50 CO 0.69 0.00 0.00 0.11 0.09 0.00 0.00 178.44 179.33 2kkp h LYS 51 N 0.00 0.00 0.00 1.13 1.57 -1.89 -3.00 116.57 114.38 2kkp h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kkp h LYS 51 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2kkp h LYS 51 CO -0.00 0.00 -0.81 1.17 -0.57 0.00 0.00 179.45 179.24 2kkp n LYS 52 N -3.03 1.66 -1.87 3.15 4.81 0.61 -4.94 118.16 118.56 2kkp n LYS 52 Ca 0.02 -0.01 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2kkp n LYS 52 Cb 0.37 -1.26 -0.03 0.00 0.02 0.00 0.00 35.03 34.13 2kkp n LYS 52 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kkp s LEU 53 N -2.83 4.10 0.11 3.14 1.98 -0.06 -4.96 118.68 120.15 2kkp s LEU 53 Ca 0.05 2.14 -0.06 0.00 -2.89 0.00 0.00 54.13 53.38 2kkp s LEU 53 Cb 0.12 -3.53 -0.06 0.00 0.66 0.00 0.00 46.19 43.39 2kkp s LEU 53 CO 0.66 -1.22 0.37 -1.10 -1.89 0.00 0.00 176.35 173.16 2kkp s GLN 54 N 4.72 3.65 0.61 1.98 -1.52 -1.26 -4.87 119.66 122.96 2kkp s GLN 54 Ca 0.82 -0.02 0.33 0.00 -1.95 0.00 0.00 55.36 54.53 2kkp s GLN 54 Cb -0.34 -2.91 1.92 0.00 -0.22 0.00 0.00 33.01 31.46 2kkp s GLN 54 CO 0.34 0.51 2.25 -1.00 -0.25 0.00 0.00 175.29 177.14 2kkp h PRO 55 N 3.17 0.00 -0.04 2.91 0.13 -1.88 -1.30 132.00 134.99 2kkp h PRO 55 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 2kkp h PRO 55 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kkp h PRO 55 CO 0.70 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 178.05 2kkp h ALA 56 N 1.94 1.23 -0.23 -0.56 0.00 -1.89 0.36 119.26 120.10 2kkp h ALA 56 Ca 0.01 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2kkp h ALA 56 Cb 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kkp h ALA 56 CO -0.00 0.56 -0.41 -0.44 0.00 0.00 0.00 179.25 178.96 2kkp h ASP 57 N 0.07 0.76 -0.56 0.00 3.32 -1.63 0.19 116.42 118.57 2kkp h ASP 57 Ca 0.00 -0.53 -0.10 0.00 0.02 0.00 0.00 57.03 56.42 2kkp h ASP 57 Cb 0.78 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2kkp h ASP 57 CO 0.06 1.15 -0.05 0.40 -1.72 0.00 0.00 179.24 179.08 2kkp h ILE 58 N 0.40 1.27 0.08 0.35 2.04 -1.51 0.14 117.51 120.28 2kkp h ILE 58 Ca 0.02 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 64.69 2kkp h ILE 58 Cb 1.00 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2kkp h ILE 58 CO 0.09 0.43 -0.21 -0.61 0.00 0.00 0.00 178.15 177.85 2kkp h GLN 59 N 0.93 -0.37 -0.94 2.37 -0.00 -0.79 -1.25 115.11 115.07 2kkp h GLN 59 Ca 0.16 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.85 2kkp h GLN 59 Cb 0.61 0.08 -0.05 0.00 0.00 0.00 0.00 27.48 28.13 2kkp h GLN 59 CO 0.04 -0.24 0.62 -0.09 0.00 0.00 0.00 178.83 179.16 2kkp h ARG 60 N -0.38 1.21 0.02 1.69 2.43 -0.41 -0.89 114.38 118.05 2kkp h ARG 60 Ca 0.03 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2kkp h ARG 60 Cb 0.41 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2kkp h ARG 60 CO -0.14 0.80 -0.10 1.25 -1.51 0.00 0.00 179.97 180.28 2kkp h LEU 61 N 1.25 -0.27 -0.64 3.80 7.12 -0.25 0.46 115.31 126.78 2kkp h LEU 61 Ca 0.35 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.40 2kkp h LEU 61 Cb -0.10 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.11 2kkp h LEU 61 CO -0.09 -0.14 0.37 1.88 -0.13 0.00 0.00 178.44 180.34 2kkp h TYR 62 N -0.17 0.86 -0.22 1.25 0.05 -0.84 0.13 116.97 118.02 2kkp h TYR 62 Ca 0.03 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 2kkp h TYR 62 Cb 0.21 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 2kkp h TYR 62 CO -0.15 0.60 0.13 0.00 -1.05 0.00 0.00 178.16 177.69 2kkp h ALA 63 N 1.19 0.28 -0.35 3.88 0.00 -0.74 -2.34 119.26 121.17 2kkp h ALA 63 Ca 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2kkp h ALA 63 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kkp h ALA 63 CO -0.04 -0.22 0.03 0.77 0.00 0.00 0.00 179.25 179.79 2kkp h SER 64 N 0.27 0.49 -0.14 0.00 0.02 0.21 0.33 113.55 114.73 2kkp h SER 64 Ca 0.08 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2kkp h SER 64 Cb 0.01 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2kkp h SER 64 CO -0.01 0.54 0.02 0.11 -1.14 0.00 0.00 176.83 176.35 2kkp h LYS 65 N 0.52 0.08 0.00 3.45 1.79 -0.59 -1.66 116.57 120.15 2kkp h LYS 65 Ca 0.11 -0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.39 2kkp h LYS 65 Cb 0.28 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2kkp h LYS 65 CO 0.01 0.05 -0.86 1.25 -1.08 0.00 0.00 179.45 178.82 2kkp h LEU 66 N 0.08 0.22 -1.04 2.94 5.85 -0.94 -3.05 115.31 119.37 2kkp h LEU 66 Ca 0.06 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.70 2kkp h LEU 66 Cb 0.06 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 2kkp h LEU 66 CO -0.09 0.98 0.63 -0.08 -0.34 0.00 0.00 178.44 179.54 2kkp h GLU 67 N 0.10 1.01 0.00 1.25 4.81 -0.12 -0.76 114.58 120.86 2kkp h GLU 67 Ca -0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2kkp h GLU 67 Cb 1.48 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2kkp h GLU 67 CO 0.13 0.67 0.00 0.43 -0.73 0.00 0.00 179.01 179.51 2kkp n SER 68 N -4.56 0.00 -0.51 1.04 7.64 -0.64 -4.85 113.62 111.73 2kkp n SER 68 Ca 0.17 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2kkp n SER 68 Cb 0.29 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2kkp n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkp n GLY 69 N 0.55 0.94 3.86 0.23 0.00 -0.29 -5.05 105.19 105.43 2kkp n GLY 69 Ca 0.12 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2kkp n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kkp s LEU 70 N -1.02 4.23 0.28 0.99 0.20 -1.16 -5.02 118.68 117.17 2kkp s LEU 70 Ca 0.00 1.02 -0.30 0.00 0.69 0.00 0.00 54.13 55.54 2kkp s LEU 70 Cb 0.00 -3.54 -0.12 0.00 -0.43 0.00 0.00 46.19 42.10 2kkp s LEU 70 CO 0.00 -0.01 1.63 -0.44 -0.29 0.00 0.00 176.35 177.24 2kkp s SER 71 N -2.07 6.35 0.39 3.68 0.01 -1.26 -4.78 113.70 116.02 2kkp s SER 71 Ca 0.44 2.95 0.15 0.00 1.31 0.00 0.00 55.95 60.80 2kkp s SER 71 Cb -0.13 -2.63 1.00 0.00 0.21 0.00 0.00 66.02 64.47 2kkp s SER 71 CO 0.20 -0.94 1.85 -0.65 0.41 0.00 0.00 173.24 174.10 2kkp h PRO 72 N 5.28 0.48 -0.26 12.44 0.11 -1.99 0.79 132.00 148.86 2kkp h PRO 72 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2kkp h PRO 72 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2kkp h PRO 72 CO 0.83 0.32 -0.15 1.15 -0.21 0.00 0.00 178.00 179.94 2kkp h THR 73 N 0.50 1.23 -0.00 -1.15 2.02 -1.99 0.26 112.91 113.78 2kkp h THR 73 Ca 0.48 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2kkp h THR 73 Cb 1.07 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2kkp h THR 73 CO -0.21 0.33 -0.01 0.54 0.37 0.00 0.00 175.52 176.54 2kkp n ARG 74 N -4.20 0.78 -0.08 6.66 5.12 0.23 -1.08 116.66 124.10 2kkp n ARG 74 Ca 0.00 -0.06 -0.21 0.00 -1.93 0.00 0.00 57.85 55.65 2kkp n ARG 74 Cb 0.33 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 30.00 2kkp n ARG 74 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2kkp n VAL 75 N -1.06 1.60 0.12 1.55 0.31 -0.39 -4.16 118.33 116.31 2kkp n VAL 75 Ca 0.19 -0.51 -0.13 0.00 -0.01 0.00 0.00 64.34 63.89 2kkp n VAL 75 Cb 0.18 -1.67 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 2kkp n VAL 75 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2kkp h ARG 76 N -0.24 -0.36 0.21 5.55 3.08 -0.20 -0.18 114.38 122.26 2kkp h ARG 76 Ca -0.52 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2kkp h ARG 76 Cb 1.84 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.95 2kkp h ARG 76 CO -0.09 -0.24 -0.23 -0.92 -1.07 0.00 0.00 179.97 177.42 2kkp h TYR 77 N -0.37 -0.60 -0.99 3.04 3.20 -1.34 -0.61 116.97 119.30 2kkp h TYR 77 Ca 0.01 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2kkp h TYR 77 Cb 0.36 0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 2kkp h TYR 77 CO -0.16 -0.34 0.65 0.82 -1.64 0.00 0.00 178.16 177.49 2kkp h ILE 78 N -0.48 1.19 -0.09 1.81 5.03 -1.71 0.10 117.51 123.36 2kkp h ILE 78 Ca 0.00 -0.44 0.04 0.00 -0.12 0.00 0.00 64.86 64.35 2kkp h ILE 78 Cb 0.46 -0.19 -0.05 0.00 -3.03 0.00 0.00 36.82 34.00 2kkp h ILE 78 CO -0.06 0.23 -0.23 -0.74 -0.68 0.00 0.00 178.15 176.67 2kkp h HIS 79 N 1.27 -0.60 0.30 1.37 -0.00 -0.49 0.06 115.15 117.06 2kkp h HIS 79 Ca 0.38 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.77 2kkp h HIS 79 Cb -0.04 0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 2kkp h HIS 79 CO -0.00 -0.31 -0.14 0.28 -0.00 0.00 0.00 177.93 177.75 2kkp h VAL 80 N -0.31 0.73 -0.78 5.26 2.07 -0.39 -2.76 116.25 120.08 2kkp h VAL 80 Ca 0.09 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2kkp h VAL 80 Cb 0.44 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2kkp h VAL 80 CO -0.27 0.09 0.32 1.62 0.02 0.00 0.00 177.57 179.35 2kkp h VAL 81 N -0.63 1.26 -0.69 2.57 3.04 -0.97 -2.59 116.25 118.25 2kkp h VAL 81 Ca -0.04 -0.79 -0.01 0.00 -1.01 0.00 0.00 66.70 64.84 2kkp h VAL 81 Cb 0.45 0.32 -0.03 0.00 -2.01 0.00 0.00 31.29 30.02 2kkp h VAL 81 CO 0.07 0.33 0.38 0.25 -1.01 0.00 0.00 177.57 177.58 2kkp h LEU 82 N 1.13 0.85 0.68 3.16 6.46 -0.99 0.11 115.31 126.72 2kkp h LEU 82 Ca 0.26 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 2kkp h LEU 82 Cb 0.20 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2kkp h LEU 82 CO -0.02 0.70 -0.33 0.45 -0.62 0.00 0.00 178.44 178.62 2kkp h HIS 83 N 0.94 -0.85 0.00 1.25 3.86 -1.16 -1.92 115.15 117.27 2kkp h HIS 83 Ca 0.24 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 2kkp h HIS 83 Cb 0.04 0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2kkp h HIS 83 CO -0.01 -0.52 -0.48 1.05 0.86 0.00 0.00 177.93 178.83 2kkp h GLU 84 N -0.94 0.00 -0.39 2.45 4.11 -1.40 -0.44 114.58 117.97 2kkp h GLU 84 Ca -0.09 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.28 2kkp h GLU 84 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2kkp h GLU 84 CO 0.15 0.48 0.01 0.00 0.07 0.00 0.00 179.01 179.72 2kkp h ALA 85 N 1.52 0.52 0.00 1.06 0.00 -0.92 -2.69 119.26 118.76 2kkp h ALA 85 Ca -0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2kkp h ALA 85 Cb 0.95 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2kkp h ALA 85 CO 0.06 0.29 -0.37 0.52 0.00 0.00 0.00 179.25 179.76 2kkp h MET 86 N 0.51 0.00 -0.75 0.00 2.86 -1.11 -2.90 114.93 113.53 2kkp h MET 86 Ca 0.11 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2kkp h MET 86 Cb 0.46 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2kkp h MET 86 CO 0.02 0.37 0.49 0.77 1.06 0.00 0.00 176.91 179.62 2kkp h SER 87 N 0.00 0.82 -0.90 1.22 0.02 -0.84 -1.44 113.55 112.43 2kkp h SER 87 Ca -0.00 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2kkp h SER 87 Cb 1.09 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 63.37 2kkp h SER 87 CO 0.05 0.58 0.56 1.56 -1.14 0.00 0.00 176.83 178.43 2kkp h GLN 88 N 0.96 0.96 -0.63 3.45 4.20 -1.27 0.49 115.11 123.27 2kkp h GLN 88 Ca 0.29 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 2kkp h GLN 88 Cb -0.03 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 2kkp h GLN 88 CO -0.07 0.64 0.08 0.00 -0.67 0.00 0.00 178.83 178.81 2kkp h ALA 89 N 1.44 0.95 0.09 3.87 0.00 -1.37 -1.69 119.26 122.55 2kkp h ALA 89 Ca 0.40 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kkp h ALA 89 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kkp h ALA 89 CO -0.19 0.65 -0.04 -0.09 0.00 0.00 0.00 179.25 179.57 2kkp h ARG 90 N 0.98 -0.11 0.00 0.00 2.43 -0.73 -2.92 114.38 114.03 2kkp h ARG 90 Ca 0.19 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2kkp h ARG 90 Cb 0.45 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2kkp h ARG 90 CO 0.01 0.12 -0.07 0.93 -1.51 0.00 0.00 179.97 179.45 2kkp h GLU 91 N -0.33 0.00 0.00 0.20 4.39 -0.83 -0.47 114.58 117.54 2kkp h GLU 91 Ca -0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2kkp h GLU 91 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2kkp h GLU 91 CO 0.02 0.07 -0.29 0.77 -1.16 0.00 0.00 179.01 178.42 2kkp h SER 92 N 0.00 0.00 0.00 1.42 0.02 -1.11 -3.47 113.55 110.41 2kkp h SER 92 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkp h SER 92 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2kkp h SER 92 CO 0.01 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 2kkp n GLY 93 N -0.03 0.69 0.11 -3.77 0.00 -0.19 -4.94 105.19 97.06 2kkp n GLY 93 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2kkp n GLY 93 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kkp h LEU 94 N 0.00 0.00 -7.62 0.99 8.10 -1.72 -3.44 115.31 111.62 2kkp h LEU 94 Ca 0.00 -0.06 -0.53 0.00 0.11 0.00 0.00 57.88 57.40 2kkp h LEU 94 Cb 0.00 0.00 -0.38 0.00 -0.44 0.00 0.00 40.66 39.84 2kkp h LEU 94 CO 0.00 0.03 -0.79 -0.22 -4.11 0.00 0.00 178.44 173.35 2kkp s LEU 95 N -5.09 1.29 0.10 0.17 2.96 -1.18 -4.85 118.68 112.08 2kkp s LEU 95 Ca 0.02 -0.46 0.17 0.00 -0.22 0.00 0.00 54.13 53.64 2kkp s LEU 95 Cb 0.10 -0.81 -0.10 0.00 0.50 0.00 0.00 46.19 45.88 2kkp s LEU 95 CO 0.77 -0.16 0.93 0.17 -1.32 0.00 0.00 176.35 176.74 2kkp h LEU 96 N 8.17 0.00-10.40 -0.68 -0.00 -1.85 -3.37 115.31 107.19 2kkp h LEU 96 Ca -0.26 0.00 -0.43 0.00 -0.00 0.00 0.00 57.88 57.19 2kkp h LEU 96 Cb 1.12 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.79 2kkp h LEU 96 CO 0.38 0.55 -0.28 -1.10 -0.00 0.00 0.00 178.44 177.99 2kkp s GLN 97 N -2.94 2.80 -0.36 0.17 -0.21 -1.26 -5.09 119.66 112.77 2kkp s GLN 97 Ca -0.02 -1.27 0.03 0.00 0.02 0.00 0.00 55.36 54.12 2kkp s GLN 97 Cb 0.09 -2.71 0.11 0.00 1.00 0.00 0.00 33.01 31.49 2kkp s GLN 97 CO 0.80 -0.24 0.09 0.54 -2.12 0.00 0.00 175.29 174.36 2kkp s ASN 98 N -4.31 4.52 0.31 5.90 2.20 -1.26 -4.90 114.94 117.40 2kkp s ASN 98 Ca 0.54 -2.19 0.25 0.00 -0.94 0.00 0.00 52.86 50.51 2kkp s ASN 98 Cb -0.09 -1.46 0.63 0.00 -2.00 0.00 0.00 41.25 38.33 2kkp s ASN 98 CO 0.32 -0.36 1.71 -0.65 -2.94 0.00 0.00 177.10 175.18 2kkp h PRO 99 N 7.52 0.00 0.02 3.55 0.11 -1.96 -3.29 132.00 137.95 2kkp h PRO 99 Ca -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2kkp h PRO 99 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2kkp h PRO 99 CO 0.53 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 180.10 2kkp h THR 100 N 0.00 1.45 0.00 -1.15 1.35 -1.94 -3.10 112.91 109.52 2kkp h THR 100 Ca 0.00 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 2kkp h THR 100 Cb 0.84 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2kkp h THR 100 CO 0.00 0.41 0.00 -0.33 -0.25 0.00 0.00 175.52 175.35 2kkp h GLU 101 N -0.76 0.00 -0.48 4.72 3.07 -1.96 -2.05 114.58 117.11 2kkp h GLU 101 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2kkp h GLU 101 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2kkp h GLU 101 CO 0.01 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.62 2kkp n ALA 102 N -2.03 2.57 -2.19 3.43 0.00 -1.21 -4.89 120.51 116.19 2kkp n ALA 102 Ca 0.01 -0.81 -0.34 0.00 0.00 0.00 0.00 53.44 52.29 2kkp n ALA 102 Cb 0.28 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.51 3.43 0.01 0.00 0.00 -0.77 -4.77 121.76 118.14 2kkp s ALA 103 Ca 0.29 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2kkp s ALA 103 Cb 0.16 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 2kkp s ALA 103 CO 0.18 0.37 1.26 0.21 0.00 0.00 0.00 175.76 177.78 2kkp s LYS 104 N -2.35 4.36 0.27 0.00 2.20 -1.26 -4.99 119.74 117.96 2kkp s LYS 104 Ca 0.46 1.80 -0.27 0.00 -0.36 0.00 0.00 55.97 57.60 2kkp s LYS 104 Cb -0.14 -3.46 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 2kkp s LYS 104 CO 0.20 -0.41 0.90 -1.25 -0.36 0.00 0.00 175.35 174.43 2kkp s PRO 105 N 1.77 4.65 0.02 4.03 0.04 -1.26 -4.94 135.00 139.30 2kkp s PRO 105 Ca 0.59 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.81 2kkp s PRO 105 Cb -0.29 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.15 2kkp s PRO 105 CO 0.26 0.41 1.18 -1.35 0.04 0.00 0.00 177.00 177.54 2kkp h PRO 106 N 3.66 -0.51 0.00 0.56 0.11 -2.02 -3.46 132.00 130.33 2kkp h PRO 106 Ca -0.46 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2kkp h PRO 106 Cb 1.20 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2kkp h PRO 106 CO 0.66 -0.34 0.00 0.54 -0.21 0.00 0.00 178.00 178.65 2kkp n ARG 107 N -3.48 0.00 -3.57 1.05 1.74 -1.26 -5.05 116.66 106.09 2kkp n ARG 107 Ca -0.07 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.73 2kkp n ARG 107 Cb 0.21 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.50 2kkp n ARG 107 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2kkp s HIS 108 N -0.82 0.38 -0.79 -1.55 3.76 -1.26 -4.98 115.29 110.02 2kkp s HIS 108 Ca 0.00 -0.82 0.26 0.00 -0.15 0.00 0.00 55.06 54.35 2kkp s HIS 108 Cb 0.00 -0.90 0.75 0.00 1.11 0.00 0.00 32.58 33.54 2kkp s HIS 108 CO 0.00 -0.77 1.66 -0.35 -0.85 0.00 0.00 174.74 174.43 2kkp n PRO 109 N 5.23 0.19 -2.67 8.40 -0.04 -1.26 -4.31 135.00 140.54 2kkp n PRO 109 Ca -0.06 0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 2kkp n PRO 109 Cb 0.43 -1.69 -0.00 0.00 -0.04 0.00 0.00 33.50 32.20 2kkp n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkp s LEU 110 N -4.01 4.12 -0.04 1.53 2.01 -1.26 -4.96 118.68 116.07 2kkp s LEU 110 Ca 0.10 -2.47 -0.02 0.00 0.01 0.00 0.00 54.13 51.75 2kkp s LEU 110 Cb 0.14 -2.53 -0.04 0.00 0.01 0.00 0.00 46.19 43.77 2kkp s LEU 110 CO 0.62 -1.10 0.07 -0.70 1.01 0.00 0.00 176.35 176.26 2kkp s GLU 111 N 3.64 3.09 -0.51 1.70 2.12 -1.26 -4.99 118.70 122.49 2kkp s GLU 111 Ca 0.50 -0.43 -0.06 0.00 0.36 0.00 0.00 54.97 55.35 2kkp s GLU 111 Cb 0.02 -2.88 -0.14 0.00 0.26 0.00 0.00 34.13 31.38 2kkp s GLU 111 CO 0.04 0.68 2.64 -2.39 -0.54 0.00 0.00 175.26 175.69 2kkp n HIS 112 N 1.49 0.76 -3.33 5.30 1.44 -1.26 -4.59 115.22 115.02 2kkp n HIS 112 Ca -0.15 -1.66 -0.12 0.00 -2.01 0.00 0.00 57.72 53.79 2kkp n HIS 112 Cb 0.53 -1.58 -0.07 0.00 0.12 0.00 0.00 29.99 28.99 2kkp n HIS 112 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kkp s HIS 113 N 2.13 -0.80 0.00 -1.40 5.04 -1.26 -5.01 115.29 113.99 2kkp s HIS 113 Ca 0.50 -0.03 0.00 0.00 -1.54 0.00 0.00 55.06 53.99 2kkp s HIS 113 Cb 0.19 -0.24 0.00 0.00 0.04 0.00 0.00 32.58 32.57 2kkp s HIS 113 CO -0.02 -0.99 0.00 1.58 -2.34 0.00 0.00 174.74 172.98 2kkp n HIS 114 N 5.03 0.00 -2.29 3.88 -0.00 -1.26 -5.15 115.22 115.43 2kkp n HIS 114 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 2kkp n HIS 114 Cb 0.48 0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.60 2kkp n HIS 114 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kkp n HIS 115 N -2.19 -4.79 -2.53 1.57 -0.00 -1.26 -4.86 115.22 101.16 2kkp n HIS 115 Ca 0.00 2.86 -0.43 0.00 -0.00 0.00 0.00 57.72 60.15 2kkp n HIS 115 Cb 0.00 -3.73 -0.02 0.00 -0.00 0.00 0.00 29.99 26.24 2kkp n HIS 115 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kkp s HIS 116 N -0.57 2.82 -2.00 1.57 2.46 -1.26 -5.33 115.29 112.98 2kkp s HIS 116 Ca 0.00 0.89 0.13 0.00 0.47 0.00 0.00 55.06 56.55 2kkp s HIS 116 Cb 0.00 -4.06 0.75 0.00 -0.13 0.00 0.00 32.58 29.14 2kkp s HIS 116 CO 0.00 -1.34 1.18 1.58 -2.47 0.00 0.00 174.74 173.69