#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkp n ILE 2 N 0.00 0.12 -3.50 2.02 -5.35 -1.26 -5.06 119.36 106.33 2kkp n ILE 2 Ca 0.00 -0.26 -0.23 0.00 -0.27 0.00 0.00 62.75 61.99 2kkp n ILE 2 Cb 0.00 1.36 0.01 0.00 -1.74 0.00 0.00 39.64 39.27 2kkp n ILE 2 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2kkp n GLU 3 N -0.06 -1.36 -0.46 6.28 0.28 -1.26 -4.97 120.64 119.08 2kkp n GLU 3 Ca 0.00 0.73 -0.02 0.00 -0.16 0.00 0.00 57.16 57.71 2kkp n GLU 3 Cb 0.23 -1.82 0.01 0.00 1.43 0.00 0.00 31.44 31.30 2kkp n GLU 3 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2kkp n PRO 4 N -1.88 0.20 -1.82 3.44 -0.04 -1.26 -5.00 135.00 128.65 2kkp n PRO 4 Ca -0.24 -0.21 -0.42 0.00 -0.04 0.00 0.00 63.50 62.59 2kkp n PRO 4 Cb 0.59 -0.09 -0.03 0.00 -0.04 0.00 0.00 33.50 33.92 2kkp n PRO 4 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kkp s SER 5 N -1.40 6.49 0.39 3.54 0.15 -1.26 -4.98 113.70 116.63 2kkp s SER 5 Ca 0.06 2.70 -0.13 0.00 0.70 0.00 0.00 55.95 59.28 2kkp s SER 5 Cb -0.00 -2.58 -0.08 0.00 -1.71 0.00 0.00 66.02 61.65 2kkp s SER 5 CO 0.04 -0.92 0.80 -1.59 1.20 0.00 0.00 173.24 172.77 2kkp s LYS 6 N 1.77 3.91 -0.33 5.44 -2.85 -1.26 -4.51 119.74 121.91 2kkp s LYS 6 Ca 0.75 0.64 -0.11 0.00 -1.00 0.00 0.00 55.97 56.25 2kkp s LYS 6 Cb -0.45 -2.36 0.01 0.00 -2.06 0.00 0.00 37.83 32.97 2kkp s LYS 6 CO 0.33 -0.00 0.44 -0.89 0.10 0.00 0.00 175.35 175.33 2kkp n ILE 7 N -0.98 -8.59 -3.98 3.79 5.41 -1.26 -5.06 119.36 108.69 2kkp n ILE 7 Ca 0.04 0.60 0.00 0.00 1.00 0.00 0.00 62.75 64.39 2kkp n ILE 7 Cb 0.54 -6.39 0.00 0.00 -0.71 0.00 0.00 39.64 33.08 2kkp n ILE 7 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2kkp n THR 8 N -0.43 0.00 -0.03 1.39 -2.24 -1.26 -4.84 114.28 106.87 2kkp n THR 8 Ca 0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 2kkp n THR 8 Cb 0.34 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 2kkp n THR 8 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kkp h VAL 9 N 0.98 0.93 -0.40 2.28 2.07 -1.03 -2.75 116.25 118.33 2kkp h VAL 9 Ca 0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2kkp h VAL 9 Cb 0.00 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2kkp h VAL 9 CO 0.00 0.02 0.16 1.05 0.02 0.00 0.00 177.57 178.82 2kkp h GLU 10 N 0.12 0.56 -0.40 1.57 9.09 -1.19 -1.33 114.58 123.01 2kkp h GLU 10 Ca 0.08 -0.07 -0.08 0.00 0.05 0.00 0.00 59.36 59.34 2kkp h GLU 10 Cb 0.07 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.05 2kkp h GLU 10 CO -0.10 0.47 -0.04 0.37 0.05 0.00 0.00 179.01 179.76 2kkp h GLN 11 N 0.56 0.74 0.08 1.06 4.15 -1.76 -0.72 115.11 119.22 2kkp h GLN 11 Ca 0.14 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 2kkp h GLN 11 Cb 0.12 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2kkp h GLN 11 CO -0.01 0.85 -0.04 2.35 -1.93 0.00 0.00 178.83 180.05 2kkp h TRP 12 N 0.56 -0.10 -0.34 3.99 7.01 -1.00 -1.22 115.95 124.85 2kkp h TRP 12 Ca 0.11 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 2kkp h TRP 12 Cb 0.54 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 2kkp h TRP 12 CO 0.04 0.19 0.11 -0.07 -2.79 0.00 0.00 178.44 175.93 2kkp h LEU 13 N -0.39 0.49 -1.32 0.65 -0.00 -1.33 -1.93 115.31 111.48 2kkp h LEU 13 Ca -0.01 -0.20 0.05 0.00 -0.00 0.00 0.00 57.88 57.72 2kkp h LEU 13 Cb 0.33 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 40.82 2kkp h LEU 13 CO 0.02 0.55 0.50 -1.13 -0.00 0.00 0.00 178.44 178.38 2kkp h ASN 14 N 0.39 0.75 -0.23 -0.43 -0.00 -1.09 -1.24 115.58 113.73 2kkp h ASN 14 Ca 0.11 -0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.38 2kkp h ASN 14 Cb 0.23 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.38 2kkp h ASN 14 CO -0.00 0.50 0.03 -0.09 -0.00 0.00 0.00 177.43 177.86 2kkp h ARG 15 N 0.86 0.39 -0.55 6.67 2.43 -0.88 -2.19 114.38 121.11 2kkp h ARG 15 Ca 0.31 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.43 2kkp h ARG 15 Cb 0.15 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 2kkp h ARG 15 CO -0.10 0.54 0.27 2.35 -1.51 0.00 0.00 179.97 181.52 2kkp h TRP 16 N 0.18 0.49 -0.64 2.20 2.91 -0.47 0.46 115.95 121.07 2kkp h TRP 16 Ca 0.07 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.03 2kkp h TRP 16 Cb 0.35 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 2kkp h TRP 16 CO 0.03 0.22 0.09 -0.07 -1.03 0.00 0.00 178.44 177.68 2kkp h LEU 17 N 0.51 1.04 0.00 0.65 -0.00 -1.30 -2.40 115.31 113.80 2kkp h LEU 17 Ca 0.25 -0.27 -0.18 0.00 -0.00 0.00 0.00 57.88 57.68 2kkp h LEU 17 Cb 0.18 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.54 2kkp h LEU 17 CO -0.19 1.04 -0.85 0.74 -0.00 0.00 0.00 178.44 179.19 2kkp h THR 18 N 0.99 1.41 -0.07 0.22 2.02 -0.69 0.20 112.91 117.00 2kkp h THR 18 Ca 0.19 -3.01 -0.19 0.00 0.77 0.00 0.00 66.41 64.18 2kkp h THR 18 Cb 0.46 2.70 -0.00 0.00 -1.74 0.00 0.00 68.15 69.56 2kkp h THR 18 CO 0.02 0.81 -0.75 -0.78 0.37 0.00 0.00 175.52 175.18 2kkp h ASP 19 N 0.00 0.47 -0.50 4.18 3.58 -0.05 -2.97 116.42 121.13 2kkp h ASP 19 Ca -0.01 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2kkp h ASP 19 Cb 1.64 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.56 2kkp h ASP 19 CO 0.11 1.06 0.00 -1.22 -2.88 0.00 0.00 179.24 176.31 2kkp n TYR 20 N -3.82 0.66 -0.38 0.28 4.01 -0.91 -4.65 117.16 112.34 2kkp n TYR 20 Ca -0.04 -0.36 0.30 0.00 -0.16 0.00 0.00 57.90 57.64 2kkp n TYR 20 Cb 0.72 -0.00 0.56 0.00 -0.31 0.00 0.00 39.34 40.31 2kkp n TYR 20 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kkp h ALA 21 N 4.15 2.36 -1.99 -0.72 0.00 -0.43 -3.24 119.26 119.39 2kkp h ALA 21 Ca 0.00 0.14 -0.69 0.00 0.00 0.00 0.00 54.91 54.36 2kkp h ALA 21 Cb 0.95 0.17 -0.19 0.00 0.00 0.00 0.00 17.79 18.72 2kkp h ALA 21 CO 0.00 -0.95 0.08 0.21 0.00 0.00 0.00 179.25 178.59 2kkp s LYS 22 N -5.46 3.08 0.23 0.00 2.20 -1.26 -5.05 119.74 113.48 2kkp s LYS 22 Ca -0.09 -1.12 -0.00 0.00 -0.36 0.00 0.00 55.97 54.40 2kkp s LYS 22 Cb 0.29 -4.19 0.05 0.00 -1.51 0.00 0.00 37.83 32.47 2kkp s LYS 22 CO 0.80 -1.39 0.31 -0.35 -0.36 0.00 0.00 175.35 174.36 2kkp n PRO 23 N 6.25 0.37 0.00 4.03 -0.04 -1.23 -5.14 135.00 139.25 2kkp n PRO 23 Ca -0.08 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 2kkp n PRO 23 Cb 0.44 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 2kkp n PRO 23 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kkp n HIS 24 N -1.86 0.00 -0.52 0.54 8.25 -1.26 -5.15 115.22 115.22 2kkp n HIS 24 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2kkp n HIS 24 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 0.00 0.00 -3.44 2.41 4.32 -1.26 -4.80 117.00 114.24 2kkp n LEU 25 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 2kkp n LEU 25 Cb 0.00 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 41.88 2kkp n LEU 25 CO 0.00 0.00 0.19 0.54 -1.22 0.00 0.00 177.39 176.90 2kkp n ARG 26 N 0.00 -7.20 -0.94 3.23 1.74 -1.26 -4.86 116.66 107.37 2kkp n ARG 26 Ca 0.00 0.81 -0.18 0.00 -0.77 0.00 0.00 57.85 57.71 2kkp n ARG 26 Cb 0.00 -5.77 -0.10 0.00 -1.02 0.00 0.00 32.46 25.57 2kkp n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kkp n GLN 27 N -4.52 2.21 0.00 5.56 10.64 -1.26 -4.13 117.38 125.87 2kkp n GLN 27 Ca -0.11 -1.24 0.11 0.00 -1.83 0.00 0.00 57.00 53.93 2kkp n GLN 27 Cb 0.60 -2.20 0.12 0.00 -0.86 0.00 0.00 30.24 27.91 2kkp n GLN 27 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2kkp n SER 28 N 3.03 0.73 -4.28 2.61 7.64 -1.26 -4.90 113.62 117.18 2kkp n SER 28 Ca 0.47 -0.56 -0.19 0.00 1.01 0.00 0.00 58.87 59.60 2kkp n SER 28 Cb 0.56 0.51 -0.11 0.00 -1.01 0.00 0.00 64.21 64.16 2kkp n SER 28 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kkp s THR 29 N -2.97 1.52 0.24 0.44 -1.32 -1.26 -5.16 115.64 107.13 2kkp s THR 29 Ca 0.11 -1.85 0.03 0.00 -1.21 0.00 0.00 61.69 58.76 2kkp s THR 29 Cb 0.17 -1.70 -0.01 0.00 -1.51 0.00 0.00 72.50 69.45 2kkp s THR 29 CO 0.75 -0.42 0.11 0.79 -2.21 0.00 0.00 174.62 173.63 2kkp n TRP 30 N 0.32 -0.05 0.48 9.09 5.03 -1.26 -5.03 117.44 126.01 2kkp n TRP 30 Ca -0.14 -1.64 0.01 0.00 3.03 0.00 0.00 57.50 58.76 2kkp n TRP 30 Cb 0.58 0.04 0.10 0.00 -1.03 0.00 0.00 31.31 31.00 2kkp n TRP 30 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 2kkp n GLU 31 N -0.52 1.98 -0.29 -0.99 4.71 -1.26 -4.27 120.64 120.00 2kkp n GLU 31 Ca -0.02 -0.85 -0.06 0.00 -0.01 0.00 0.00 57.16 56.22 2kkp n GLU 31 Cb 0.38 -1.67 0.06 0.00 -1.01 0.00 0.00 31.44 29.20 2kkp n GLU 31 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 2kkp h SER 32 N 0.99 1.10 1.23 1.62 0.02 -2.01 -1.48 113.55 115.02 2kkp h SER 32 Ca 0.02 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2kkp h SER 32 Cb 0.97 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2kkp h SER 32 CO 0.15 0.99 0.00 0.10 -1.14 0.00 0.00 176.83 176.93 2kkp h TYR 33 N 1.15 0.00 0.00 3.45 -0.00 -2.02 -2.58 116.97 116.96 2kkp h TYR 33 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.79 2kkp h TYR 33 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.95 2kkp h TYR 33 CO 0.02 0.00 -0.96 1.49 -0.00 0.00 0.00 178.16 178.71 2kkp h GLU 34 N 0.00 0.01 0.90 0.10 4.22 -1.59 -3.00 114.58 115.21 2kkp h GLU 34 Ca 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.38 2kkp h GLU 34 Cb 0.61 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.88 2kkp h GLU 34 CO 0.00 0.96 -0.43 1.15 -2.18 0.00 0.00 179.01 178.51 2kkp h THR 35 N 0.00 0.05 -0.56 0.32 2.02 -0.99 0.80 112.91 114.56 2kkp h THR 35 Ca -0.01 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2kkp h THR 35 Cb 1.69 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2kkp h THR 35 CO 0.13 0.00 0.29 -0.37 0.37 0.00 0.00 175.52 175.94 2kkp h VAL 36 N -1.28 1.18 0.52 3.16 -1.51 -1.68 -0.87 116.25 115.77 2kkp h VAL 36 Ca -0.12 -0.48 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 2kkp h VAL 36 Cb 0.93 0.44 0.01 0.00 -2.13 0.00 0.00 31.29 30.53 2kkp h VAL 36 CO 0.20 0.20 -0.25 0.25 -1.23 0.00 0.00 177.57 176.75 2kkp h LEU 37 N 0.78 -0.59 -1.04 4.19 5.85 -1.43 -2.63 115.31 120.44 2kkp h LEU 37 Ca 0.20 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2kkp h LEU 37 Cb 0.05 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2kkp h LEU 37 CO -0.03 -0.25 0.49 0.08 -0.34 0.00 0.00 178.44 178.39 2kkp h ARG 38 N -0.97 1.16 -0.53 1.25 0.11 -0.70 -2.63 114.38 112.07 2kkp h ARG 38 Ca -0.07 -0.11 -0.08 0.00 0.10 0.00 0.00 59.98 59.82 2kkp h ARG 38 Cb 0.62 -0.24 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 2kkp h ARG 38 CO 0.12 0.82 0.02 1.25 0.10 0.00 0.00 179.97 182.29 2kkp h LEU 39 N 1.17 0.90 0.01 0.08 5.85 -1.13 -2.92 115.31 119.27 2kkp h LEU 39 Ca 0.30 -0.29 -0.30 0.00 0.84 0.00 0.00 57.88 58.43 2kkp h LEU 39 Cb -0.02 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2kkp h LEU 39 CO -0.05 0.97 -1.63 1.41 -0.34 0.00 0.00 178.44 178.80 2kkp n HIS 40 N -4.31 0.81 -0.01 1.25 8.25 -1.00 -4.58 115.22 115.63 2kkp n HIS 40 Ca 0.02 0.32 0.10 0.00 -0.26 0.00 0.00 57.72 57.90 2kkp n HIS 40 Cb 0.31 -1.08 -0.17 0.00 1.12 0.00 0.00 29.99 30.17 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 -4.28 0.07 -0.02 1.59 3.14 -1.00 -4.22 118.33 113.61 2kkp n VAL 41 Ca -0.37 -0.51 -0.13 0.00 -2.96 0.00 0.00 64.34 60.37 2kkp n VAL 41 Cb 0.77 -0.01 -0.10 0.00 -1.06 0.00 0.00 33.84 33.44 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 1.39 0.00 1.55 5.03 -1.59 0.36 117.51 124.25 2kkp h ILE 42 Ca -0.03 -1.17 0.00 0.00 -0.12 0.00 0.00 64.86 63.54 2kkp h ILE 42 Cb 1.04 2.18 0.00 0.00 -3.03 0.00 0.00 36.82 37.01 2kkp h ILE 42 CO 0.00 0.31 0.00 -2.65 -0.68 0.00 0.00 178.15 175.13 2kkp n PRO 43 N -4.84 0.39 -0.01 2.37 -0.02 -1.25 -2.07 135.00 129.56 2kkp n PRO 43 Ca -0.08 0.06 -0.02 0.00 -2.02 0.00 0.00 63.50 61.44 2kkp n PRO 43 Cb 0.26 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.25 0.38 0.46 3.45 -2.24 -1.16 -4.80 114.28 109.12 2kkp n THR 44 Ca 0.12 0.30 0.10 0.00 -2.27 0.00 0.00 64.05 62.30 2kkp n THR 44 Cb 0.17 -1.53 0.14 0.00 -2.10 0.00 0.00 70.33 67.02 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 2.95 0.23 3.22 4.77 0.03 -4.40 117.00 120.87 2kkp n LEU 45 Ca -0.02 -1.32 0.08 0.00 -0.03 0.00 0.00 56.01 54.72 2kkp n LEU 45 Cb 0.09 -0.13 0.57 0.00 -2.33 0.00 0.00 43.42 41.62 2kkp n LEU 45 CO 0.04 0.60 0.89 1.23 -1.33 0.00 0.00 177.39 178.82 2kkp h GLY 46 N 3.76 0.00 -3.24 -0.72 0.00 -0.75 -2.25 103.07 99.87 2kkp h GLY 46 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2kkp h GLY 46 CO 0.00 0.00 0.20 1.44 0.00 0.00 0.00 176.54 178.18 2kkp n SER 47 N -3.93 4.31 -4.27 0.19 7.64 -1.26 -0.65 113.62 115.65 2kkp n SER 47 Ca -0.02 -2.95 -0.32 0.00 1.01 0.00 0.00 58.87 56.59 2kkp n SER 47 Cb 0.28 -0.70 -0.16 0.00 -1.01 0.00 0.00 64.21 62.62 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 -2.48 2.28 0.49 0.44 1.01 -0.85 -4.66 121.20 117.43 2kkp s ILE 48 Ca 0.44 -0.96 -0.23 0.00 0.00 0.00 0.00 60.65 59.90 2kkp s ILE 48 Cb 0.35 -1.88 -0.07 0.00 0.01 0.00 0.00 42.46 40.87 2kkp s ILE 48 CO 0.11 0.56 1.25 -2.65 0.00 0.00 0.00 174.94 174.21 2kkp n PRO 49 N 3.31 1.70 0.26 2.79 -0.02 -1.26 -3.79 135.00 137.99 2kkp n PRO 49 Ca -0.18 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 2kkp n PRO 49 Cb 0.53 -2.41 0.70 0.00 -0.02 0.00 0.00 33.50 32.29 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 1.63 0.00 0.00 2.45 3.38 -1.95 0.26 115.31 121.09 2kkp h LEU 50 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2kkp h LEU 50 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2kkp h LEU 50 CO 0.58 0.12 -0.29 0.11 0.09 0.00 0.00 178.44 179.05 2kkp h LYS 51 N 0.00 0.00 0.00 1.13 6.56 -1.90 -3.24 116.57 119.12 2kkp h LYS 51 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2kkp h LYS 51 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 2kkp h LYS 51 CO 0.02 0.00 -1.61 1.17 -2.06 0.00 0.00 179.45 176.96 2kkp n LYS 52 N -2.61 0.44 -1.67 3.15 4.81 -0.17 -4.93 118.16 117.18 2kkp n LYS 52 Ca 0.04 -0.12 -0.42 0.00 -0.87 0.00 0.00 58.31 56.93 2kkp n LYS 52 Cb 0.49 -1.53 -0.03 0.00 0.02 0.00 0.00 35.03 33.98 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 -2.03 4.15 -4.66 3.14 -0.00 0.75 -4.94 117.00 113.41 2kkp n LEU 53 Ca -0.01 0.92 -0.32 0.00 -0.00 0.00 0.00 56.01 56.60 2kkp n LEU 53 Cb 0.49 -1.53 -0.09 0.00 -0.00 0.00 0.00 43.42 42.29 2kkp n LEU 53 CO 0.45 0.20 -0.34 -1.10 -0.00 0.00 0.00 177.39 176.59 2kkp s GLN 54 N 4.13 2.63 0.55 1.96 -0.21 -1.26 -4.98 119.66 122.48 2kkp s GLN 54 Ca 0.88 -0.73 0.22 0.00 0.02 0.00 0.00 55.36 55.75 2kkp s GLN 54 Cb -0.45 -2.58 1.51 0.00 1.00 0.00 0.00 33.01 32.50 2kkp s GLN 54 CO 0.41 0.59 2.20 -1.35 -2.12 0.00 0.00 175.29 175.02 2kkp h PRO 55 N 4.04 0.00 -0.43 2.91 0.11 -1.94 -2.81 132.00 133.89 2kkp h PRO 55 Ca -0.48 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.68 2kkp h PRO 55 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2kkp h PRO 55 CO 0.57 0.00 0.14 0.00 -0.21 0.00 0.00 178.00 178.50 2kkp h ALA 56 N 2.00 0.50 0.00 -0.75 0.00 -1.94 0.82 119.26 119.89 2kkp h ALA 56 Ca -0.00 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2kkp h ALA 56 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kkp h ALA 56 CO 0.00 -0.25 -0.54 -0.44 0.00 0.00 0.00 179.25 178.02 2kkp h ASP 57 N 0.30 0.00 -0.11 0.00 3.32 -1.92 0.50 116.42 118.52 2kkp h ASP 57 Ca 0.20 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2kkp h ASP 57 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2kkp h ASP 57 CO -0.21 0.54 -0.08 0.40 -1.72 0.00 0.00 179.24 178.17 2kkp h ILE 58 N 0.00 1.34 -0.65 0.35 2.04 -1.33 0.19 117.51 119.45 2kkp h ILE 58 Ca -0.01 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 2kkp h ILE 58 Cb 0.98 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 2kkp h ILE 58 CO 0.07 0.34 0.29 -0.61 0.00 0.00 0.00 178.15 178.23 2kkp h GLN 59 N -0.15 0.94 -0.46 2.37 4.15 -0.76 -1.86 115.11 119.35 2kkp h GLN 59 Ca 0.02 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.31 2kkp h GLN 59 Cb 0.57 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 2kkp h GLN 59 CO 0.02 0.75 0.30 -0.09 -1.93 0.00 0.00 178.83 177.88 2kkp h ARG 60 N 0.93 0.59 -0.26 1.69 2.43 -0.74 -0.22 114.38 118.80 2kkp h ARG 60 Ca 0.22 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 2kkp h ARG 60 Cb 0.14 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 2kkp h ARG 60 CO -0.02 0.39 -0.12 1.25 -1.51 0.00 0.00 179.97 179.96 2kkp h LEU 61 N 0.61 -0.40 0.42 3.80 7.12 0.12 0.12 115.31 127.11 2kkp h LEU 61 Ca 0.17 0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.26 2kkp h LEU 61 Cb -0.05 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 2kkp h LEU 61 CO -0.05 -0.15 -0.20 1.88 -0.13 0.00 0.00 178.44 179.79 2kkp h TYR 62 N -0.08 -0.53 -0.68 1.25 0.05 -1.11 -2.58 116.97 113.29 2kkp h TYR 62 Ca 0.14 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 2kkp h TYR 62 Cb 0.29 0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 2kkp h TYR 62 CO -0.30 -0.30 0.40 0.00 -1.05 0.00 0.00 178.16 176.91 2kkp h ALA 63 N -0.06 0.87 -0.29 3.88 0.00 -0.77 0.23 119.26 123.12 2kkp h ALA 63 Ca -0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2kkp h ALA 63 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kkp h ALA 63 CO 0.10 0.37 -0.03 1.03 0.00 0.00 0.00 179.25 180.71 2kkp h SER 64 N 0.93 0.53 1.15 0.00 0.87 -0.77 -2.18 113.55 114.08 2kkp h SER 64 Ca 0.24 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 2kkp h SER 64 Cb 0.00 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2kkp h SER 64 CO -0.04 0.74 -0.87 0.11 -0.53 0.00 0.00 176.83 176.24 2kkp h LYS 65 N 0.31 0.00 -0.15 2.24 1.57 -1.31 -1.87 116.57 117.36 2kkp h LYS 65 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2kkp h LYS 65 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2kkp h LYS 65 CO 0.02 0.09 -0.09 1.25 -0.57 0.00 0.00 179.45 180.15 2kkp h LEU 66 N 0.00 0.22 -0.39 2.94 5.85 -0.55 -1.62 115.31 121.76 2kkp h LEU 66 Ca -0.03 -0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.47 2kkp h LEU 66 Cb 1.14 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 2kkp h LEU 66 CO 0.01 0.34 -0.72 -0.08 -0.34 0.00 0.00 178.44 177.65 2kkp h GLU 67 N 0.23 0.46 -0.57 1.25 4.81 -1.11 -3.17 114.58 116.48 2kkp h GLU 67 Ca 0.05 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.82 2kkp h GLU 67 Cb 0.30 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2kkp h GLU 67 CO 0.02 1.00 -0.02 0.77 -0.73 0.00 0.00 179.01 180.05 2kkp h SER 68 N 0.32 0.97 0.00 1.04 0.02 -0.69 -3.45 113.55 111.76 2kkp h SER 68 Ca -0.03 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2kkp h SER 68 Cb 1.30 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2kkp h SER 68 CO 0.13 1.03 0.00 0.61 -1.14 0.00 0.00 176.83 177.46 2kkp n GLY 69 N -0.46 0.00 3.95 -3.77 0.00 -0.67 -5.09 105.19 99.15 2kkp n GLY 69 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2kkp n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkp s LEU 70 N 0.00 4.30 0.10 0.99 1.43 -1.03 -5.00 118.68 119.46 2kkp s LEU 70 Ca 0.00 0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 2kkp s LEU 70 Cb 0.00 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.20 2kkp s LEU 70 CO 0.00 -0.01 0.36 -0.94 0.23 0.00 0.00 176.35 175.99 2kkp s SER 71 N -3.42 6.52 0.37 2.29 1.04 -1.26 -4.83 113.70 114.41 2kkp s SER 71 Ca 0.35 0.62 0.10 0.00 0.48 0.00 0.00 55.95 57.51 2kkp s SER 71 Cb -0.10 -2.11 0.85 0.00 0.10 0.00 0.00 66.02 64.76 2kkp s SER 71 CO 0.29 0.12 1.89 1.55 0.98 0.00 0.00 173.24 178.07 2kkp h PRO 72 N 3.26 0.63 -0.43 4.02 0.13 -1.99 -0.49 132.00 137.13 2kkp h PRO 72 Ca -0.47 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.52 2kkp h PRO 72 Cb 1.18 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2kkp h PRO 72 CO 0.70 0.42 -0.12 1.79 -0.23 0.00 0.00 178.00 180.56 2kkp h THR 73 N 0.65 1.26 -0.09 1.56 1.35 -1.99 -0.93 112.91 114.71 2kkp h THR 73 Ca 0.42 -1.18 -0.21 0.00 -0.55 0.00 0.00 66.41 64.89 2kkp h THR 73 Cb 0.70 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2kkp h THR 73 CO -0.18 0.40 -0.78 -0.09 -0.25 0.00 0.00 175.52 174.62 2kkp h ARG 74 N 0.70 0.55 -0.65 4.72 9.65 -1.55 -2.26 114.38 125.54 2kkp h ARG 74 Ca 0.12 -0.47 -0.04 0.00 -1.10 0.00 0.00 59.98 58.49 2kkp h ARG 74 Cb 0.60 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.26 2kkp h ARG 74 CO 0.04 1.10 0.26 0.28 2.80 0.00 0.00 179.97 184.45 2kkp h VAL 75 N 0.37 1.24 -0.66 0.20 2.07 -0.96 -0.91 116.25 117.60 2kkp h VAL 75 Ca -0.05 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2kkp h VAL 75 Cb 1.39 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2kkp h VAL 75 CO 0.14 0.30 0.40 -0.09 0.02 0.00 0.00 177.57 178.34 2kkp h ARG 76 N 0.92 0.89 -0.11 1.57 2.43 -1.10 0.59 114.38 119.57 2kkp h ARG 76 Ca 0.22 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2kkp h ARG 76 Cb 0.21 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2kkp h ARG 76 CO -0.02 0.63 0.07 -0.92 -1.51 0.00 0.00 179.97 178.22 2kkp h TYR 77 N 0.89 0.13 -0.92 2.20 3.20 -0.98 0.34 116.97 121.83 2kkp h TYR 77 Ca 0.24 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.13 2kkp h TYR 77 Cb -0.04 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 2kkp h TYR 77 CO -0.02 0.08 0.61 0.82 -1.64 0.00 0.00 178.16 178.01 2kkp h ILE 78 N 0.14 1.20 -0.26 1.81 2.04 -0.95 -0.88 117.51 120.60 2kkp h ILE 78 Ca 0.04 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2kkp h ILE 78 Cb -0.01 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 35.94 2kkp h ILE 78 CO -0.02 0.22 0.11 -0.74 0.00 0.00 0.00 178.15 177.73 2kkp h HIS 79 N 1.21 0.38 0.01 1.37 2.76 -0.20 -1.17 115.15 119.51 2kkp h HIS 79 Ca 0.35 -0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 58.29 2kkp h HIS 79 Cb -0.07 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 2kkp h HIS 79 CO -0.01 0.38 -0.92 -0.39 -1.30 0.00 0.00 177.93 175.69 2kkp h VAL 80 N 0.27 1.45 -0.15 5.26 -1.51 -0.74 -1.22 116.25 119.61 2kkp h VAL 80 Ca 0.09 -2.56 -0.22 0.00 -1.23 0.00 0.00 66.70 62.78 2kkp h VAL 80 Cb 0.15 2.46 0.01 0.00 -2.13 0.00 0.00 31.29 31.79 2kkp h VAL 80 CO -0.01 0.75 -0.78 1.62 -1.23 0.00 0.00 177.57 177.93 2kkp h VAL 81 N 0.16 1.28 -0.42 7.19 3.04 -1.14 -1.06 116.25 125.30 2kkp h VAL 81 Ca -0.06 -1.98 -0.12 0.00 -1.01 0.00 0.00 66.70 63.53 2kkp h VAL 81 Cb 1.56 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 32.81 2kkp h VAL 81 CO 0.15 0.63 -0.23 0.25 -1.01 0.00 0.00 177.57 177.36 2kkp h LEU 82 N 0.53 0.87 -0.19 3.16 5.85 -1.24 -0.67 115.31 123.62 2kkp h LEU 82 Ca -0.05 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.35 2kkp h LEU 82 Cb 1.40 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2kkp h LEU 82 CO 0.16 1.06 0.11 -0.74 -0.34 0.00 0.00 178.44 178.69 2kkp h HIS 83 N 0.74 0.20 0.03 1.25 2.76 -1.16 -1.78 115.15 117.19 2kkp h HIS 83 Ca 0.10 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2kkp h HIS 83 Cb 0.77 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.66 2kkp h HIS 83 CO 0.04 0.12 -0.01 1.49 -1.30 0.00 0.00 177.93 178.27 2kkp h GLU 84 N 0.23 -0.04 -0.11 5.26 4.57 -1.00 -2.62 114.58 120.87 2kkp h GLU 84 Ca 0.07 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 2kkp h GLU 84 Cb -0.01 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2kkp h GLU 84 CO -0.03 0.34 -0.36 0.00 -1.18 0.00 0.00 179.01 177.79 2kkp h ALA 85 N 0.53 1.20 0.00 2.92 0.00 -1.14 -2.15 119.26 120.61 2kkp h ALA 85 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kkp h ALA 85 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kkp h ALA 85 CO 0.01 0.54 0.00 1.98 0.00 0.00 0.00 179.25 181.78 2kkp h MET 86 N 0.19 0.00 -0.83 0.00 1.85 -1.34 -3.26 114.93 111.55 2kkp h MET 86 Ca 0.02 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 2kkp h MET 86 Cb 0.72 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.71 2kkp h MET 86 CO 0.05 0.00 0.48 0.77 -0.40 0.00 0.00 176.91 177.82 2kkp h SER 87 N 0.00 1.00 0.38 1.39 0.02 -0.98 -1.86 113.55 113.51 2kkp h SER 87 Ca 0.00 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2kkp h SER 87 Cb 0.87 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 2kkp h SER 87 CO 0.00 0.78 -0.15 0.06 -1.14 0.00 0.00 176.83 176.38 2kkp h GLN 88 N 1.14 0.00 -0.03 3.45 3.07 -1.66 0.18 115.11 121.27 2kkp h GLN 88 Ca 0.30 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.80 2kkp h GLN 88 Cb -0.02 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.54 2kkp h GLN 88 CO -0.05 0.15 -0.93 0.00 0.09 0.00 0.00 178.83 178.09 2kkp h ALA 89 N 1.85 0.31 -0.01 0.06 0.00 -1.53 -0.95 119.26 118.99 2kkp h ALA 89 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kkp h ALA 89 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kkp h ALA 89 CO 0.02 0.76 0.00 -0.09 0.00 0.00 0.00 179.25 179.94 2kkp h ARG 90 N 0.32 0.01 0.00 0.00 2.43 -0.83 -2.73 114.38 113.58 2kkp h ARG 90 Ca -0.09 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 2kkp h ARG 90 Cb 1.56 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 2kkp h ARG 90 CO 0.17 0.28 -0.17 0.93 -1.51 0.00 0.00 179.97 179.67 2kkp h GLU 91 N -0.25 0.00 0.00 0.20 4.39 -0.73 -1.24 114.58 116.95 2kkp h GLU 91 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2kkp h GLU 91 Cb 0.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2kkp h GLU 91 CO 0.00 0.17 -0.08 1.03 -1.16 0.00 0.00 179.01 178.97 2kkp h SER 92 N 0.00 0.00 0.00 1.42 0.87 -1.01 -3.46 113.55 111.37 2kkp h SER 92 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kkp h SER 92 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2kkp h SER 92 CO 0.02 0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.01 2kkp n GLY 93 N -0.53 1.98 0.23 5.77 0.00 -0.47 -4.91 105.19 107.25 2kkp n GLY 93 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -7.99 0.99 8.10 -1.74 -3.42 115.31 111.25 2kkp h LEU 94 Ca 0.00 0.00 -0.48 0.00 0.11 0.00 0.00 57.88 57.51 2kkp h LEU 94 Cb 0.00 0.00 -0.32 0.00 -0.44 0.00 0.00 40.66 39.90 2kkp h LEU 94 CO 0.00 0.00 -0.80 -0.22 -4.11 0.00 0.00 178.44 173.31 2kkp s LEU 95 N -5.87 1.70 -0.12 0.17 2.96 -1.04 -4.90 118.68 111.57 2kkp s LEU 95 Ca 0.05 -0.25 0.17 0.00 -0.22 0.00 0.00 54.13 53.88 2kkp s LEU 95 Cb 0.08 -0.71 -0.24 0.00 0.50 0.00 0.00 46.19 45.81 2kkp s LEU 95 CO 0.58 0.05 0.31 0.00 -1.32 0.00 0.00 176.35 175.98 2kkp n LEU 96 N 3.56 0.27 -4.66 -0.68 -0.00 -1.26 -4.08 117.00 110.15 2kkp n LEU 96 Ca -0.21 0.13 -0.28 0.00 -0.00 0.00 0.00 56.01 55.65 2kkp n LEU 96 Cb 0.53 0.34 -0.08 0.00 -0.00 0.00 0.00 43.42 44.21 2kkp n LEU 96 CO 0.25 0.39 -0.34 -1.10 -0.00 0.00 0.00 177.39 176.59 2kkp s GLN 97 N -2.65 2.42 -0.56 1.47 -0.21 -1.26 -5.05 119.66 113.81 2kkp s GLN 97 Ca -0.08 -1.03 -0.05 0.00 0.02 0.00 0.00 55.36 54.21 2kkp s GLN 97 Cb 0.07 -2.40 0.15 0.00 1.00 0.00 0.00 33.01 31.83 2kkp s GLN 97 CO 0.83 0.48 0.40 1.21 -2.12 0.00 0.00 175.29 176.09 2kkp s ASN 98 N -2.74 5.49 0.44 5.90 3.84 -1.26 -4.84 114.94 121.77 2kkp s ASN 98 Ca 0.27 -2.45 0.28 0.00 0.21 0.00 0.00 52.86 51.16 2kkp s ASN 98 Cb -0.10 -1.92 0.94 0.00 -0.55 0.00 0.00 41.25 39.62 2kkp s ASN 98 CO 0.18 -0.50 1.81 -0.65 -2.79 0.00 0.00 177.10 175.16 2kkp h PRO 99 N 7.63 0.00 -0.75 0.43 0.11 -1.97 -3.23 132.00 134.22 2kkp h PRO 99 Ca -0.07 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 2kkp h PRO 99 Cb 1.01 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2kkp h PRO 99 CO 0.74 0.00 0.25 1.79 -0.21 0.00 0.00 178.00 180.58 2kkp h THR 100 N 0.00 1.26 0.00 -1.15 1.35 -1.92 -0.93 112.91 111.51 2kkp h THR 100 Ca 0.00 -0.88 -0.12 0.00 -0.55 0.00 0.00 66.41 64.86 2kkp h THR 100 Cb 0.67 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.49 2kkp h THR 100 CO 0.00 0.35 -0.92 -0.08 -0.25 0.00 0.00 175.52 174.63 2kkp h GLU 101 N 1.11 0.00 0.00 4.72 4.81 -1.91 -3.12 114.58 120.19 2kkp h GLU 101 Ca 0.24 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 2kkp h GLU 101 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2kkp h GLU 101 CO -0.01 0.34 -0.39 0.00 -0.73 0.00 0.00 179.01 178.22 2kkp h ALA 102 N 1.54 1.09 -1.73 2.92 0.00 -1.53 -3.38 119.26 118.17 2kkp h ALA 102 Ca -0.07 -0.36 -0.65 0.00 0.00 0.00 0.00 54.91 53.83 2kkp h ALA 102 Cb 1.41 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.98 2kkp h ALA 102 CO 0.05 0.49 0.68 0.00 0.00 0.00 0.00 179.25 180.47 2kkp s ALA 103 N -3.77 3.19 -0.34 0.00 0.00 -0.38 -4.96 121.76 115.51 2kkp s ALA 103 Ca -0.01 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 49.75 2kkp s ALA 103 Cb 0.12 -3.95 0.11 0.00 0.00 0.00 0.00 23.12 19.39 2kkp s ALA 103 CO 0.70 -2.88 0.12 0.21 0.00 0.00 0.00 175.76 173.90 2kkp s LYS 104 N 3.58 0.93 -0.17 0.00 2.20 -1.26 -4.71 119.74 120.31 2kkp s LYS 104 Ca 0.27 -1.37 -0.29 0.00 -0.36 0.00 0.00 55.97 54.22 2kkp s LYS 104 Cb -0.12 -2.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.95 2kkp s LYS 104 CO 0.02 -1.02 1.61 -1.25 -0.36 0.00 0.00 175.35 174.35 2kkp s PRO 105 N 1.27 3.92 -0.68 4.03 0.04 -1.26 -4.95 135.00 137.36 2kkp s PRO 105 Ca 0.12 1.81 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 2kkp s PRO 105 Cb -0.19 -4.01 0.02 0.00 0.04 0.00 0.00 34.50 30.37 2kkp s PRO 105 CO -0.18 -1.15 1.33 -2.14 0.04 0.00 0.00 177.00 174.90 2kkp s PRO 106 N 4.45 3.22 -0.37 0.56 0.02 -1.26 -4.98 135.00 136.63 2kkp s PRO 106 Ca 0.71 -0.01 -0.19 0.00 0.02 0.00 0.00 61.00 61.54 2kkp s PRO 106 Cb -0.27 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.09 2kkp s PRO 106 CO 0.28 -2.09 0.54 1.03 -0.33 0.00 0.00 177.00 176.43 2kkp s ARG 107 N 5.68 3.52 -0.56 5.54 3.00 -1.26 -5.01 118.95 129.86 2kkp s ARG 107 Ca 0.41 -0.23 0.05 0.00 0.00 0.00 0.00 55.73 55.96 2kkp s ARG 107 Cb -0.09 -3.85 0.17 0.00 0.00 0.00 0.00 34.95 31.19 2kkp s ARG 107 CO 0.18 -0.73 0.43 -2.39 0.00 0.00 0.00 175.30 172.79 2kkp n HIS 108 N 5.85 1.15 0.48 -0.53 1.44 -1.26 -4.84 115.22 117.51 2kkp n HIS 108 Ca -0.04 -3.80 0.13 0.00 -2.01 0.00 0.00 57.72 51.99 2kkp n HIS 108 Cb 0.49 -0.18 0.43 0.00 0.12 0.00 0.00 29.99 30.85 2kkp n HIS 108 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 2kkp h PRO 109 N 5.46 0.00 -6.33 -1.40 0.11 -2.05 -3.43 132.00 124.35 2kkp h PRO 109 Ca 0.21 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.76 2kkp h PRO 109 Cb 0.83 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 2kkp h PRO 109 CO 0.55 0.00 1.20 -0.51 -0.21 0.00 0.00 178.00 179.02 2kkp s LEU 110 N -4.80 3.48 -0.09 2.35 2.01 -1.26 -4.97 118.68 115.41 2kkp s LEU 110 Ca 0.07 0.85 -0.21 0.00 0.01 0.00 0.00 54.13 54.85 2kkp s LEU 110 Cb 0.10 -3.30 -0.04 0.00 0.01 0.00 0.00 46.19 42.96 2kkp s LEU 110 CO 0.53 -1.72 0.61 -1.83 1.01 0.00 0.00 176.35 174.95 2kkp s GLU 111 N 5.61 4.40 0.00 1.70 -1.05 -1.26 -4.87 118.70 123.23 2kkp s GLU 111 Ca 0.68 0.71 0.00 0.00 -0.15 0.00 0.00 54.97 56.21 2kkp s GLU 111 Cb -0.16 -3.44 0.00 0.00 -0.44 0.00 0.00 34.13 30.08 2kkp s GLU 111 CO 0.30 0.10 0.52 0.72 0.95 0.00 0.00 175.26 177.85 2kkp n HIS 112 N 3.73 0.00 0.58 4.83 8.25 -1.26 -4.82 115.22 126.52 2kkp n HIS 112 Ca -0.03 -0.13 0.07 0.00 -0.26 0.00 0.00 57.72 57.37 2kkp n HIS 112 Cb 0.51 -0.01 0.19 0.00 1.12 0.00 0.00 29.99 31.80 2kkp n HIS 112 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kkp n HIS 113 N -0.13 0.62 -3.83 4.41 -0.00 -1.26 -4.80 115.22 110.24 2kkp n HIS 113 Ca 0.00 -0.30 -0.36 0.00 -0.00 0.00 0.00 57.72 57.07 2kkp n HIS 113 Cb 0.31 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.22 2kkp n HIS 113 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kkp s HIS 114 N -1.47 3.59 0.05 1.57 4.02 -1.26 -5.04 115.29 116.75 2kkp s HIS 114 Ca 0.29 0.53 -0.30 0.00 1.02 0.00 0.00 55.06 56.60 2kkp s HIS 114 Cb 0.16 -1.95 -0.08 0.00 -1.02 0.00 0.00 32.58 29.68 2kkp s HIS 114 CO 0.19 0.68 1.72 -3.38 1.02 0.00 0.00 174.74 174.97 2kkp s HIS 115 N -1.17 2.13 0.00 1.40 -3.43 -1.26 -4.94 115.29 108.02 2kkp s HIS 115 Ca 0.22 0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.61 2kkp s HIS 115 Cb -0.13 -4.03 0.00 0.00 -1.43 0.00 0.00 32.58 27.00 2kkp s HIS 115 CO 0.11 -4.26 0.00 -2.39 -2.00 0.00 0.00 174.74 166.21 2kkp n HIS 116 N 6.19 0.00 0.19 0.38 -0.00 -1.26 -5.22 115.22 115.49 2kkp n HIS 116 Ca 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.91 2kkp n HIS 116 Cb 0.41 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.42 2kkp n HIS 116 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95