#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 0.00-11.53 -2.70 1.12 2.08 -1.26 -5.00 119.36 102.08 2kkp n ILE 2 Ca 0.00 1.99 -0.32 0.00 0.56 0.00 0.00 62.75 64.98 2kkp n ILE 2 Cb 0.00 -6.57 -0.05 0.00 -0.75 0.00 0.00 39.64 32.27 2kkp n ILE 2 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2kkp s GLU 3 N -1.23 4.00 0.07 0.38 8.01 -1.26 -4.99 118.70 123.68 2kkp s GLU 3 Ca -0.09 0.87 -0.33 0.00 0.01 0.00 0.00 54.97 55.43 2kkp s GLU 3 Cb 0.01 -2.24 -0.12 0.00 -4.31 0.00 0.00 34.13 27.47 2kkp s GLU 3 CO 0.72 -0.10 1.78 -0.35 0.01 0.00 0.00 175.26 177.32 2kkp n PRO 4 N -1.11 2.44 -2.01 0.39 -0.04 -1.26 -4.96 135.00 128.45 2kkp n PRO 4 Ca 0.05 0.89 -0.32 0.00 -0.04 0.00 0.00 63.50 64.08 2kkp n PRO 4 Cb 0.54 -2.74 0.01 0.00 -0.04 0.00 0.00 33.50 31.27 2kkp n PRO 4 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2kkp s SER 5 N 2.68 5.90 -0.74 3.54 1.04 -1.26 -4.94 113.70 119.92 2kkp s SER 5 Ca 0.84 1.70 -0.26 0.00 0.48 0.00 0.00 55.95 58.72 2kkp s SER 5 Cb -0.60 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 62.99 2kkp s SER 5 CO 0.42 -1.08 1.80 -0.75 0.98 0.00 0.00 173.24 174.60 2kkp s LYS 6 N -4.34 2.72 0.00 4.02 2.20 -1.26 -4.63 119.74 118.45 2kkp s LYS 6 Ca 0.61 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 2kkp s LYS 6 Cb -0.14 -4.64 0.00 0.00 -1.51 0.00 0.00 37.83 31.54 2kkp s LYS 6 CO 0.40 -2.84 0.00 1.51 -0.36 0.00 0.00 175.35 174.06 2kkp n ILE 7 N 7.31 0.00 -2.81 5.43 3.06 -1.26 -4.99 119.36 126.10 2kkp n ILE 7 Ca 0.26 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 60.15 2kkp n ILE 7 Cb 0.50 -0.98 -0.07 0.00 0.54 0.00 0.00 39.64 39.64 2kkp n ILE 7 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2kkp s THR 8 N -1.92 4.28 -0.03 9.51 2.01 -1.26 -2.89 115.64 125.33 2kkp s THR 8 Ca 0.00 1.70 -0.25 0.00 0.31 0.00 0.00 61.69 63.46 2kkp s THR 8 Cb 0.00 -3.90 -0.19 0.00 0.01 0.00 0.00 72.50 68.42 2kkp s THR 8 CO 0.00 0.03 1.16 0.58 -0.69 0.00 0.00 174.62 175.70 2kkp h VAL 9 N 2.44 1.20 0.00 3.82 2.07 -1.49 -3.13 116.25 121.16 2kkp h VAL 9 Ca -0.47 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 2kkp h VAL 9 Cb 1.19 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2kkp h VAL 9 CO 0.64 0.27 -0.01 1.05 0.02 0.00 0.00 177.57 179.54 2kkp h GLU 10 N -0.62 0.00 0.25 1.57 4.11 -1.67 -0.86 114.58 117.36 2kkp h GLU 10 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2kkp h GLU 10 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kkp h GLU 10 CO 0.02 0.01 -0.12 1.96 0.07 0.00 0.00 179.01 180.95 2kkp h GLN 11 N 0.00 -0.33 0.00 1.06 1.08 -1.82 -1.63 115.11 113.48 2kkp h GLN 11 Ca -0.00 0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 2kkp h GLN 11 Cb 0.13 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2kkp h GLN 11 CO 0.00 0.03 -0.22 0.11 -0.95 0.00 0.00 178.83 177.80 2kkp h TRP 12 N -0.78 0.00 -0.37 2.96 5.08 -1.54 -3.02 115.95 118.29 2kkp h TRP 12 Ca -0.03 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.92 2kkp h TRP 12 Cb 0.51 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.65 2kkp h TRP 12 CO 0.04 0.22 0.18 1.25 -1.28 0.00 0.00 178.44 178.85 2kkp h LEU 13 N 0.00 0.48 -0.20 0.11 7.12 -1.14 0.23 115.31 121.91 2kkp h LEU 13 Ca -0.00 -0.12 0.01 0.00 0.13 0.00 0.00 57.88 57.90 2kkp h LEU 13 Cb 1.00 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.99 2kkp h LEU 13 CO 0.03 0.46 0.11 -1.13 -0.13 0.00 0.00 178.44 177.78 2kkp h ASN 14 N 0.46 0.18 -0.51 1.25 -1.24 -1.18 -2.44 115.58 112.10 2kkp h ASN 14 Ca 0.13 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.05 2kkp h ASN 14 Cb 0.11 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 2kkp h ASN 14 CO -0.02 0.13 -0.03 -0.09 -1.29 0.00 0.00 177.43 176.14 2kkp h ARG 15 N 0.23 0.96 0.30 6.67 9.65 -1.40 -2.70 114.38 128.09 2kkp h ARG 15 Ca 0.08 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2kkp h ARG 15 Cb -0.00 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 2kkp h ARG 15 CO -0.04 0.97 -0.39 2.35 2.80 0.00 0.00 179.97 185.66 2kkp h TRP 16 N 0.88 -1.06 0.00 2.20 2.91 -0.22 0.21 115.95 120.87 2kkp h TRP 16 Ca 0.16 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.14 2kkp h TRP 16 Cb 0.56 0.43 -0.01 0.00 -0.51 0.00 0.00 29.16 29.62 2kkp h TRP 16 CO 0.04 -0.52 -0.22 1.37 -1.03 0.00 0.00 178.44 178.07 2kkp h LEU 17 N -0.74 0.00 -0.02 0.65 8.10 -1.46 -0.07 115.31 121.78 2kkp h LEU 17 Ca -0.01 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.92 2kkp h LEU 17 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.91 2kkp h LEU 17 CO -0.12 0.22 -0.22 0.74 -4.11 0.00 0.00 178.44 174.96 2kkp h THR 18 N 0.00 1.51 -0.03 0.15 2.02 -1.05 -2.83 112.91 112.69 2kkp h THR 18 Ca -0.00 -1.80 -0.07 0.00 0.77 0.00 0.00 66.41 65.31 2kkp h THR 18 Cb 0.45 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 2kkp h THR 18 CO 0.03 0.50 -0.25 -0.78 0.37 0.00 0.00 175.52 175.38 2kkp h ASP 19 N -0.44 0.27 1.08 4.18 3.58 -0.42 -3.28 116.42 121.39 2kkp h ASP 19 Ca -0.02 -0.70 -0.01 0.00 0.42 0.00 0.00 57.03 56.71 2kkp h ASP 19 Cb 0.92 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.89 2kkp h ASP 19 CO 0.04 0.93 -0.07 1.88 -2.88 0.00 0.00 179.24 179.15 2kkp h TYR 20 N -0.37 0.00 0.00 0.28 -1.99 -1.16 -1.96 116.97 111.77 2kkp h TYR 20 Ca -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 2kkp h TYR 20 Cb 0.95 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.67 2kkp h TYR 20 CO 0.15 0.07 -0.04 0.00 -0.00 0.00 0.00 178.16 178.34 2kkp h ALA 21 N 1.93 1.09 -4.25 3.88 0.00 -1.55 -3.48 119.26 116.88 2kkp h ALA 21 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kkp h ALA 21 Cb 0.63 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2kkp h ALA 21 CO 0.01 0.06 -0.71 1.17 0.00 0.00 0.00 179.25 179.78 2kkp n LYS 22 N -3.27 -2.31 0.00 0.00 4.81 -0.74 -4.60 118.16 112.06 2kkp n LYS 22 Ca -0.01 2.00 0.07 0.00 -0.87 0.00 0.00 58.31 59.50 2kkp n LYS 22 Cb 0.22 -3.59 0.44 0.00 0.02 0.00 0.00 35.03 32.12 2kkp n LYS 22 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2kkp n PRO 23 N 0.60 0.52 0.24 1.64 -0.02 -1.26 -2.52 135.00 134.19 2kkp n PRO 23 Ca -0.07 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.54 2kkp n PRO 23 Cb 0.12 -1.44 0.33 0.00 -0.02 0.00 0.00 33.50 32.48 2kkp n PRO 23 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2kkp h HIS 24 N 0.00 0.00 -3.74 6.00 2.76 -1.97 -3.44 115.15 114.76 2kkp h HIS 24 Ca 0.00 0.00 -0.46 0.00 -2.20 0.00 0.00 60.37 57.71 2kkp h HIS 24 Cb 0.00 0.00 -0.20 0.00 1.55 0.00 0.00 27.41 28.76 2kkp h HIS 24 CO 0.00 0.02 -0.78 -0.51 -1.30 0.00 0.00 177.93 175.35 2kkp s LEU 25 N -6.22 2.35 -0.21 0.26 1.43 -1.05 -5.13 118.68 110.12 2kkp s LEU 25 Ca 0.05 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.26 2kkp s LEU 25 Cb 0.06 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 2kkp s LEU 25 CO 0.63 -0.06 0.41 -0.13 0.23 0.00 0.00 176.35 177.43 2kkp s ARG 26 N -2.24 4.16 -0.11 1.70 1.81 -1.26 -4.72 118.95 118.29 2kkp s ARG 26 Ca 0.06 0.22 -0.08 0.00 -1.72 0.00 0.00 55.73 54.21 2kkp s ARG 26 Cb -0.08 -3.55 0.03 0.00 -0.45 0.00 0.00 34.95 30.90 2kkp s ARG 26 CO 0.03 -0.08 0.16 1.04 -0.68 0.00 0.00 175.30 175.77 2kkp n GLN 27 N 4.61 -3.46 0.00 3.54 1.13 -1.26 -5.04 117.38 116.90 2kkp n GLN 27 Ca -0.08 2.72 0.00 0.00 -1.94 0.00 0.00 57.00 57.70 2kkp n GLN 27 Cb 0.51 -3.93 0.00 0.00 0.11 0.00 0.00 30.24 26.93 2kkp n GLN 27 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2kkp n SER 28 N 1.27 0.00 -3.73 1.08 2.88 -1.26 -5.07 113.62 108.78 2kkp n SER 28 Ca -0.27 0.23 -0.11 0.00 -1.33 0.00 0.00 58.87 57.40 2kkp n SER 28 Cb 0.42 -0.36 -0.06 0.00 -0.75 0.00 0.00 64.21 63.46 2kkp n SER 28 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2kkp s THR 29 N -0.71 0.09 -0.95 2.46 -4.23 -1.26 -5.10 115.64 105.94 2kkp s THR 29 Ca 0.00 -0.75 -0.13 0.00 -1.18 0.00 0.00 61.69 59.63 2kkp s THR 29 Cb 0.00 -1.11 0.22 0.00 1.34 0.00 0.00 72.50 72.96 2kkp s THR 29 CO 0.00 -0.41 0.96 -1.66 -0.54 0.00 0.00 174.62 172.96 2kkp s TRP 30 N -3.24 3.83 -0.51 3.99 -2.14 -1.26 -5.01 118.94 114.60 2kkp s TRP 30 Ca -0.00 -2.15 -0.28 0.00 2.66 0.00 0.00 56.10 56.33 2kkp s TRP 30 Cb 0.01 -3.91 0.01 0.00 -3.10 0.00 0.00 33.47 26.49 2kkp s TRP 30 CO -0.08 -1.06 1.38 -1.21 -2.66 0.00 0.00 176.95 173.32 2kkp s GLU 31 N 0.10 3.43 0.18 3.25 2.02 -1.26 -4.87 118.70 121.55 2kkp s GLU 31 Ca 0.25 0.59 -0.07 0.00 0.02 0.00 0.00 54.97 55.76 2kkp s GLU 31 Cb -0.09 -4.07 0.07 0.00 0.10 0.00 0.00 34.13 30.14 2kkp s GLU 31 CO -0.08 -1.77 1.56 0.66 0.02 0.00 0.00 175.26 175.64 2kkp h SER 32 N 10.73 0.90 0.62 -0.19 4.64 -2.02 -2.83 113.55 125.39 2kkp h SER 32 Ca -0.27 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 2kkp h SER 32 Cb 1.09 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2kkp h SER 32 CO 1.15 1.12 0.00 0.10 -0.87 0.00 0.00 176.83 178.33 2kkp h TYR 33 N 0.73 0.00 -0.53 4.77 -0.00 -2.00 -1.73 116.97 118.21 2kkp h TYR 33 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.76 2kkp h TYR 33 Cb 0.85 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.55 2kkp h TYR 33 CO 0.05 0.00 0.13 1.49 -0.00 0.00 0.00 178.16 179.83 2kkp h GLU 34 N 0.00 0.85 0.00 0.10 4.22 -1.91 -2.62 114.58 115.23 2kkp h GLU 34 Ca 0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 59.36 59.20 2kkp h GLU 34 Cb 0.31 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2kkp h GLU 34 CO 0.00 0.81 -0.15 1.15 -2.18 0.00 0.00 179.01 178.64 2kkp h THR 35 N 0.75 1.59 -0.86 0.32 2.02 -1.44 -2.40 112.91 112.88 2kkp h THR 35 Ca 0.17 -1.92 0.09 0.00 0.77 0.00 0.00 66.41 65.51 2kkp h THR 35 Cb 0.34 2.83 -0.06 0.00 -1.74 0.00 0.00 68.15 69.53 2kkp h THR 35 CO 0.00 0.51 0.56 -0.37 0.37 0.00 0.00 175.52 176.59 2kkp h VAL 36 N -0.63 0.98 0.34 3.16 -1.51 -1.63 0.54 116.25 117.51 2kkp h VAL 36 Ca -0.02 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 65.14 2kkp h VAL 36 Cb 0.92 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 2kkp h VAL 36 CO 0.03 0.16 -0.16 0.25 -1.23 0.00 0.00 177.57 176.61 2kkp h LEU 37 N 0.86 -0.39 -1.66 4.19 5.85 -1.44 -2.37 115.31 120.36 2kkp h LEU 37 Ca 0.39 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 2kkp h LEU 37 Cb 0.37 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2kkp h LEU 37 CO -0.16 -0.26 -0.11 0.08 -0.34 0.00 0.00 178.44 177.65 2kkp h ARG 38 N -0.49 0.08 -0.28 1.25 0.11 -1.30 -0.20 114.38 113.53 2kkp h ARG 38 Ca -0.05 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 59.93 2kkp h ARG 38 Cb 0.35 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 2kkp h ARG 38 CO 0.08 0.19 -0.21 1.25 0.10 0.00 0.00 179.97 181.38 2kkp h LEU 39 N 0.08 0.52 0.01 0.08 5.85 -0.89 -2.85 115.31 118.11 2kkp h LEU 39 Ca 0.02 -0.17 -0.40 0.00 0.84 0.00 0.00 57.88 58.17 2kkp h LEU 39 Cb 0.25 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 2kkp h LEU 39 CO 0.02 0.74 -2.46 1.41 -0.34 0.00 0.00 178.44 177.81 2kkp n HIS 40 N -4.14 0.06 -0.06 1.25 8.25 -0.78 -4.63 115.22 115.17 2kkp n HIS 40 Ca -0.00 0.01 -0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2kkp n HIS 40 Cb 0.39 -1.01 -0.16 0.00 1.12 0.00 0.00 29.99 30.33 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 -3.39 0.72 -0.15 1.59 3.14 -0.16 -4.19 118.33 115.89 2kkp n VAL 41 Ca -0.46 -0.68 -0.10 0.00 -2.96 0.00 0.00 64.34 60.14 2kkp n VAL 41 Cb 0.98 -0.24 -0.01 0.00 -1.06 0.00 0.00 33.84 33.50 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 1.26 0.00 1.55 5.03 -1.61 0.46 117.51 124.20 2kkp h ILE 42 Ca -0.29 -1.00 0.00 0.00 -0.12 0.00 0.00 64.86 63.45 2kkp h ILE 42 Cb 1.64 1.08 0.00 0.00 -3.03 0.00 0.00 36.82 36.51 2kkp h ILE 42 CO 0.02 0.34 0.00 -2.65 -0.68 0.00 0.00 178.15 175.18 2kkp n PRO 43 N -4.43 0.16 -0.01 2.37 -0.02 -1.26 -2.57 135.00 129.25 2kkp n PRO 43 Ca -0.00 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.84 2kkp n PRO 43 Cb 0.29 -1.80 -0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 -2.11 0.25 0.83 3.45 -2.24 -0.95 -4.82 114.28 108.69 2kkp n THR 44 Ca 0.03 0.30 0.09 0.00 -2.27 0.00 0.00 64.05 62.20 2kkp n THR 44 Cb 0.23 -1.45 -0.05 0.00 -2.10 0.00 0.00 70.33 66.96 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 -2.79 1.35 0.29 3.22 7.99 0.12 -4.43 117.00 122.76 2kkp n LEU 45 Ca -0.02 -0.64 0.18 0.00 -0.01 0.00 0.00 56.01 55.52 2kkp n LEU 45 Cb 0.06 0.00 0.86 0.00 -0.11 0.00 0.00 43.42 44.22 2kkp n LEU 45 CO 0.02 0.28 1.04 1.23 -1.51 0.00 0.00 177.39 178.45 2kkp h GLY 46 N 4.08 0.00 -2.44 -0.72 0.00 -0.18 -0.75 103.07 103.08 2kkp h GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kkp h GLY 46 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.28 2kkp n SER 47 N -3.24 3.57 -4.56 0.19 2.88 -1.24 -1.62 113.62 109.59 2kkp n SER 47 Ca -0.01 -1.99 -0.34 0.00 -1.33 0.00 0.00 58.87 55.19 2kkp n SER 47 Cb 0.22 -0.41 -0.11 0.00 -0.75 0.00 0.00 64.21 63.16 2kkp n SER 47 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kkp s ILE 48 N -1.17 4.35 0.27 2.46 1.01 -0.29 -4.88 121.20 122.96 2kkp s ILE 48 Ca 0.44 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 2kkp s ILE 48 Cb 0.23 -2.94 -0.13 0.00 0.01 0.00 0.00 42.46 39.63 2kkp s ILE 48 CO 0.31 0.47 1.31 -0.81 0.00 0.00 0.00 174.94 176.22 2kkp n PRO 49 N 3.60 1.93 0.19 2.79 -0.04 -1.26 -4.14 135.00 138.08 2kkp n PRO 49 Ca -0.17 0.68 0.16 0.00 -0.04 0.00 0.00 63.50 64.14 2kkp n PRO 49 Cb 0.52 -2.27 0.79 0.00 -0.04 0.00 0.00 33.50 32.50 2kkp n PRO 49 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kkp h LEU 50 N 3.38 0.00 -0.28 1.53 3.38 -1.90 0.11 115.31 121.53 2kkp h LEU 50 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2kkp h LEU 50 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 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 6.56 -1.86 -3.20 116.57 119.20 2kkp h LYS 51 Ca 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2kkp h LYS 51 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 2kkp h LYS 51 CO -0.00 0.00 -0.07 1.17 -2.06 0.00 0.00 179.45 178.49 2kkp n LYS 52 N -2.75 1.48 -1.93 3.15 4.81 0.09 -4.99 118.16 118.02 2kkp n LYS 52 Ca 0.04 -0.56 -0.42 0.00 -0.87 0.00 0.00 58.31 56.49 2kkp n LYS 52 Cb 0.44 -0.98 -0.03 0.00 0.02 0.00 0.00 35.03 34.48 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 -0.98 4.34 -0.10 3.14 1.98 0.14 -4.95 118.68 122.26 2kkp s LEU 53 Ca 0.05 2.33 -0.02 0.00 -2.89 0.00 0.00 54.13 53.59 2kkp s LEU 53 Cb 0.04 -3.53 -0.03 0.00 0.66 0.00 0.00 46.19 43.32 2kkp s LEU 53 CO 0.10 -0.96 0.01 -1.10 -1.89 0.00 0.00 176.35 172.51 2kkp s GLN 54 N 4.15 3.09 0.51 1.98 -0.21 -1.26 -5.01 119.66 122.91 2kkp s GLN 54 Ca 0.77 -0.40 0.15 0.00 0.02 0.00 0.00 55.36 55.90 2kkp s GLN 54 Cb -0.35 -2.84 1.22 0.00 1.00 0.00 0.00 33.01 32.04 2kkp s GLN 54 CO 0.32 0.65 2.14 -1.00 -2.12 0.00 0.00 175.29 175.28 2kkp h PRO 55 N 5.34 0.07 -0.91 2.91 0.13 -1.94 -2.22 132.00 135.37 2kkp h PRO 55 Ca -0.49 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2kkp h PRO 55 Cb 1.19 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2kkp h PRO 55 CO 0.56 0.05 0.51 0.00 -0.23 0.00 0.00 178.00 178.88 2kkp h ALA 56 N 1.96 1.16 0.00 -0.56 0.00 -1.92 -1.66 119.26 118.25 2kkp h ALA 56 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2kkp h ALA 56 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2kkp h ALA 56 CO -0.00 0.65 -0.33 -0.44 0.00 0.00 0.00 179.25 179.13 2kkp h ASP 57 N 1.26 0.00 -0.08 0.00 3.32 -1.82 0.68 116.42 119.78 2kkp h ASP 57 Ca 0.32 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 2kkp h ASP 57 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kkp h ASP 57 CO -0.05 0.33 -0.07 0.40 -1.72 0.00 0.00 179.24 178.13 2kkp h ILE 58 N 0.00 1.35 -0.49 0.35 2.04 -1.21 0.92 117.51 120.48 2kkp h ILE 58 Ca -0.00 -1.18 -0.08 0.00 1.00 0.00 0.00 64.86 64.60 2kkp h ILE 58 Cb 0.85 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 2kkp h ILE 58 CO 0.04 0.33 -0.01 -0.61 0.00 0.00 0.00 178.15 177.90 2kkp h GLN 59 N -0.21 0.82 -0.58 2.37 -0.00 -1.20 -2.13 115.11 114.18 2kkp h GLN 59 Ca 0.02 -0.23 0.07 0.00 -0.00 0.00 0.00 58.65 58.50 2kkp h GLN 59 Cb 0.56 -0.09 -0.06 0.00 0.00 0.00 0.00 27.48 27.89 2kkp h GLN 59 CO 0.02 0.84 0.26 -0.09 0.00 0.00 0.00 178.83 179.85 2kkp h ARG 60 N 0.76 0.46 -0.32 1.69 2.43 -0.76 0.13 114.38 118.79 2kkp h ARG 60 Ca 0.15 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2kkp h ARG 60 Cb 0.48 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 2kkp h ARG 60 CO 0.02 0.31 0.04 1.25 -1.51 0.00 0.00 179.97 180.08 2kkp h LEU 61 N 0.48 -0.04 -0.39 3.80 7.12 -0.17 0.35 115.31 126.46 2kkp h LEU 61 Ca 0.27 0.06 -0.02 0.00 0.13 0.00 0.00 57.88 58.32 2kkp h LEU 61 Cb 0.26 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.47 2kkp h LEU 61 CO -0.23 0.01 0.17 1.88 -0.13 0.00 0.00 178.44 180.14 2kkp h TYR 62 N 0.14 0.58 -0.32 1.25 0.05 -0.91 0.06 116.97 117.82 2kkp h TYR 62 Ca 0.15 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 2kkp h TYR 62 Cb 0.18 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2kkp h TYR 62 CO -0.20 0.50 0.10 0.00 -1.05 0.00 0.00 178.16 177.52 2kkp h ALA 63 N 1.01 0.41 -0.36 3.88 0.00 -0.61 0.30 119.26 123.90 2kkp h ALA 63 Ca 0.13 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2kkp h ALA 63 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kkp h ALA 63 CO -0.01 0.04 -0.11 0.77 0.00 0.00 0.00 179.25 179.94 2kkp h SER 64 N 0.35 0.60 1.44 0.00 0.02 -0.14 -2.08 113.55 113.73 2kkp h SER 64 Ca 0.10 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 2kkp h SER 64 Cb 0.24 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2kkp h SER 64 CO -0.00 0.74 -0.58 0.50 -1.14 0.00 0.00 176.83 176.35 2kkp h LYS 65 N 0.57 0.00 -0.19 3.45 1.63 -0.83 -3.18 116.57 118.02 2kkp h LYS 65 Ca 0.10 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 2kkp h LYS 65 Cb 0.52 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 2kkp h LYS 65 CO 0.03 0.36 -0.14 1.25 -3.45 0.00 0.00 179.45 177.50 2kkp h LEU 66 N 0.00 0.30 -1.94 5.20 5.85 0.25 -1.31 115.31 123.67 2kkp h LEU 66 Ca -0.03 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2kkp h LEU 66 Cb 1.33 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 2kkp h LEU 66 CO 0.05 0.47 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.26 2kkp h GLU 67 N 0.30 0.00 0.01 1.25 5.08 -1.38 -2.93 114.58 116.91 2kkp h GLU 67 Ca 0.06 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.21 2kkp h GLU 67 Cb 0.44 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.70 2kkp h GLU 67 CO 0.03 0.03 -0.81 1.03 -1.00 0.00 0.00 179.01 178.29 2kkp h SER 68 N 0.00 0.68 0.00 1.42 0.87 -1.34 -3.48 113.55 111.70 2kkp h SER 68 Ca -0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 2kkp h SER 68 Cb 0.36 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2kkp h SER 68 CO 0.00 1.37 0.00 0.61 -0.53 0.00 0.00 176.83 178.28 2kkp n GLY 69 N 1.13 0.00 3.87 5.77 0.00 -1.11 -5.15 105.19 109.70 2kkp n GLY 69 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 4.40 0.29 0.99 1.43 -1.25 -5.07 118.68 119.47 2kkp s LEU 70 Ca 0.00 0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 53.42 2kkp s LEU 70 Cb 0.00 -2.14 -0.09 0.00 0.03 0.00 0.00 46.19 43.99 2kkp s LEU 70 CO 0.00 0.40 0.81 -0.55 0.23 0.00 0.00 176.35 177.23 2kkp s SER 71 N -1.01 7.06 0.34 2.29 0.15 -1.26 -4.85 113.70 116.41 2kkp s SER 71 Ca 0.16 1.53 0.14 0.00 0.70 0.00 0.00 55.95 58.48 2kkp s SER 71 Cb -0.13 -2.46 1.06 0.00 -1.71 0.00 0.00 66.02 62.78 2kkp s SER 71 CO 0.05 -0.08 1.68 -0.65 1.20 0.00 0.00 173.24 175.43 2kkp h PRO 72 N 2.97 0.36 -0.41 5.44 0.11 -1.98 0.61 132.00 139.09 2kkp h PRO 72 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2kkp h PRO 72 Cb 1.19 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2kkp h PRO 72 CO 0.65 0.23 0.09 1.79 -0.21 0.00 0.00 178.00 180.55 2kkp h THR 73 N 0.37 1.23 -0.54 -1.15 1.35 -1.98 0.13 112.91 112.31 2kkp h THR 73 Ca 0.72 -0.80 -0.10 0.00 -0.55 0.00 0.00 66.41 65.68 2kkp h THR 73 Cb 1.61 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 2kkp h THR 73 CO -0.58 0.28 -0.04 0.03 -0.25 0.00 0.00 175.52 174.96 2kkp h ARG 74 N 0.52 0.96 -0.45 4.72 3.08 -1.34 -1.80 114.38 120.06 2kkp h ARG 74 Ca 0.13 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 2kkp h ARG 74 Cb 0.32 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2kkp h ARG 74 CO 0.00 0.97 0.06 0.28 -1.07 0.00 0.00 179.97 180.21 2kkp h VAL 75 N 0.87 1.25 0.00 2.04 2.07 -0.85 -2.57 116.25 119.05 2kkp h VAL 75 Ca 0.15 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2kkp h VAL 75 Cb 0.57 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2kkp h VAL 75 CO 0.03 0.32 -0.15 0.03 0.02 0.00 0.00 177.57 177.83 2kkp h ARG 76 N 0.61 0.00 -0.10 1.57 3.08 -0.51 0.58 114.38 119.61 2kkp h ARG 76 Ca 0.13 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 2kkp h ARG 76 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2kkp h ARG 76 CO 0.01 0.15 -0.16 -0.92 -1.07 0.00 0.00 179.97 177.98 2kkp h TYR 77 N 0.00 0.35 -0.48 3.04 5.03 -1.08 -0.82 116.97 123.00 2kkp h TYR 77 Ca -0.00 -0.12 0.02 0.00 2.58 0.00 0.00 58.73 61.21 2kkp h TYR 77 Cb 0.53 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 2kkp h TYR 77 CO 0.00 0.76 0.32 0.82 -1.32 0.00 0.00 178.16 178.74 2kkp h ILE 78 N -0.16 1.08 -0.40 1.81 1.08 -1.03 -0.15 117.51 119.75 2kkp h ILE 78 Ca 0.01 -0.20 -0.10 0.00 -0.39 0.00 0.00 64.86 64.18 2kkp h ILE 78 Cb 0.73 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2kkp h ILE 78 CO 0.04 0.11 -0.13 -0.74 -0.69 0.00 0.00 178.15 176.73 2kkp h HIS 79 N 0.59 0.90 0.00 1.37 2.76 -0.75 -2.27 115.15 117.75 2kkp h HIS 79 Ca 0.19 -0.21 -0.20 0.00 -2.20 0.00 0.00 60.37 57.96 2kkp h HIS 79 Cb 0.03 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 2kkp h HIS 79 CO -0.00 0.94 -0.93 -0.24 -1.30 0.00 0.00 177.93 176.39 2kkp h VAL 80 N 0.60 1.62 -0.17 5.26 3.04 -0.58 -0.97 116.25 125.06 2kkp h VAL 80 Ca 0.10 -3.26 -0.21 0.00 -1.01 0.00 0.00 66.70 62.32 2kkp h VAL 80 Cb 0.67 2.78 0.01 0.00 -2.01 0.00 0.00 31.29 32.74 2kkp h VAL 80 CO 0.05 0.92 -0.74 1.62 -1.01 0.00 0.00 177.57 178.41 2kkp h VAL 81 N 0.00 1.29 -0.05 1.51 3.04 -1.07 -0.99 116.25 119.98 2kkp h VAL 81 Ca -0.01 -1.95 -0.12 0.00 -1.01 0.00 0.00 66.70 63.61 2kkp h VAL 81 Cb 1.71 1.94 -0.01 0.00 -2.01 0.00 0.00 31.29 32.91 2kkp h VAL 81 CO 0.12 0.62 -0.52 0.25 -1.01 0.00 0.00 177.57 177.03 2kkp h LEU 82 N 0.53 0.16 -0.57 3.16 5.85 -1.42 -0.10 115.31 122.92 2kkp h LEU 82 Ca -0.04 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2kkp h LEU 82 Cb 1.35 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 2kkp h LEU 82 CO 0.15 0.66 0.36 -0.74 -0.34 0.00 0.00 178.44 178.52 2kkp h HIS 83 N 0.12 0.67 0.11 1.25 2.76 -1.01 -2.35 115.15 116.70 2kkp h HIS 83 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2kkp h HIS 83 Cb 0.96 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.70 2kkp h HIS 83 CO 0.01 0.40 -0.05 1.49 -1.30 0.00 0.00 177.93 178.48 2kkp h GLU 84 N 0.71 -0.14 -0.39 5.26 4.57 -0.68 -2.87 114.58 121.04 2kkp h GLU 84 Ca 0.22 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.48 2kkp h GLU 84 Cb -0.02 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.54 2kkp h GLU 84 CO -0.08 0.17 0.01 0.00 -1.18 0.00 0.00 179.01 177.93 2kkp h ALA 85 N 0.38 0.37 0.00 2.92 0.00 -0.94 -1.10 119.26 120.89 2kkp h ALA 85 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kkp h ALA 85 Cb 0.38 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2kkp h ALA 85 CO 0.02 -0.39 0.00 0.52 0.00 0.00 0.00 179.25 179.41 2kkp h MET 86 N 0.12 0.00 -0.23 0.00 2.86 -1.49 -2.51 114.93 113.67 2kkp h MET 86 Ca 0.19 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.70 2kkp h MET 86 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2kkp h MET 86 CO -0.31 0.00 -0.40 0.77 1.06 0.00 0.00 176.91 178.02 2kkp h SER 87 N 0.00 0.57 -0.60 1.22 0.02 -0.97 0.91 113.55 114.70 2kkp h SER 87 Ca 0.00 -0.25 -0.10 0.00 -0.84 0.00 0.00 61.79 60.60 2kkp h SER 87 Cb 0.63 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2kkp h SER 87 CO 0.00 0.91 -0.01 1.56 -1.14 0.00 0.00 176.83 178.15 2kkp h GLN 88 N 0.44 1.06 -0.45 3.45 7.50 -1.17 -1.70 115.11 124.24 2kkp h GLN 88 Ca 0.04 -0.34 -0.09 0.00 0.50 0.00 0.00 58.65 58.76 2kkp h GLN 88 Cb 0.90 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 28.31 2kkp h GLN 88 CO 0.08 1.04 -0.09 0.00 -1.50 0.00 0.00 178.83 178.36 2kkp h ALA 89 N 0.98 0.99 -0.13 3.87 0.00 -1.32 -1.22 119.26 122.44 2kkp h ALA 89 Ca 0.17 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kkp h ALA 89 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kkp h ALA 89 CO 0.03 0.60 0.05 -0.09 0.00 0.00 0.00 179.25 179.84 2kkp h ARG 90 N 0.72 0.11 -0.00 0.00 2.43 -0.56 -0.79 114.38 116.30 2kkp h ARG 90 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2kkp h ARG 90 Cb 0.57 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2kkp h ARG 90 CO 0.04 0.07 -0.00 0.39 -1.51 0.00 0.00 179.97 178.96 2kkp n GLU 91 N -5.05 0.76 0.00 0.20 1.02 -0.66 -2.11 120.64 114.79 2kkp n GLU 91 Ca -0.04 -0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 2kkp n GLU 91 Cb 0.05 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.18 2kkp n GLU 91 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kkp n SER 92 N -1.11 1.67 0.00 1.62 2.88 -0.47 -4.95 113.62 113.26 2kkp n SER 92 Ca 0.20 -1.31 0.00 0.00 -1.33 0.00 0.00 58.87 56.42 2kkp n SER 92 Cb 0.17 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2kkp n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkp n GLY 93 N 1.36 0.41 0.08 0.46 0.00 -0.90 -4.93 105.19 101.68 2kkp n GLY 93 Ca 0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.06 2kkp n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kkp n LEU 94 N 0.00 0.51 -3.84 0.99 4.77 -0.36 -4.93 117.00 114.15 2kkp n LEU 94 Ca 0.00 0.23 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 2kkp n LEU 94 Cb 0.02 0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 2kkp n LEU 94 CO 0.00 0.29 -0.25 -0.22 -1.33 0.00 0.00 177.39 175.89 2kkp s LEU 95 N -5.63 1.60 0.07 2.23 2.96 -1.17 -4.78 118.68 113.96 2kkp s LEU 95 Ca -0.06 0.21 0.23 0.00 -0.22 0.00 0.00 54.13 54.29 2kkp s LEU 95 Cb 0.08 0.35 0.13 0.00 0.50 0.00 0.00 46.19 47.25 2kkp s LEU 95 CO 0.83 -0.04 1.10 0.00 -1.32 0.00 0.00 176.35 176.93 2kkp n LEU 96 N 3.03 0.64 -4.43 -0.68 -0.00 -1.26 -4.07 117.00 110.22 2kkp n LEU 96 Ca -0.12 0.06 -0.23 0.00 -0.00 0.00 0.00 56.01 55.72 2kkp n LEU 96 Cb 0.59 -0.12 -0.08 0.00 -0.00 0.00 0.00 43.42 43.81 2kkp n LEU 96 CO 0.23 0.01 -0.17 -1.10 -0.00 0.00 0.00 177.39 176.36 2kkp s GLN 97 N -3.20 1.84 -0.40 1.47 -0.21 -1.26 -5.09 119.66 112.81 2kkp s GLN 97 Ca 0.04 -2.10 0.04 0.00 0.02 0.00 0.00 55.36 53.36 2kkp s GLN 97 Cb 0.14 -0.27 0.11 0.00 1.00 0.00 0.00 33.01 33.99 2kkp s GLN 97 CO 0.78 -0.53 0.13 0.54 -2.12 0.00 0.00 175.29 174.09 2kkp s ASN 98 N -3.51 4.56 0.49 5.90 4.22 -1.26 -4.83 114.94 120.50 2kkp s ASN 98 Ca 0.30 -2.45 0.29 0.00 -2.14 0.00 0.00 52.86 48.86 2kkp s ASN 98 Cb 0.03 -1.60 0.94 0.00 1.28 0.00 0.00 41.25 41.90 2kkp s ASN 98 CO 0.19 -0.33 1.82 1.55 -2.04 0.00 0.00 177.10 178.29 2kkp h PRO 99 N 7.22 0.00 -0.11 3.55 0.13 -1.96 -2.90 132.00 137.93 2kkp h PRO 99 Ca -0.06 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.93 2kkp h PRO 99 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2kkp h PRO 99 CO 0.58 0.00 -0.56 1.79 -0.23 0.00 0.00 178.00 179.58 2kkp h THR 100 N 0.00 1.36 0.00 1.56 1.35 -1.91 0.65 112.91 115.92 2kkp h THR 100 Ca 0.00 -1.86 -0.14 0.00 -0.55 0.00 0.00 66.41 63.86 2kkp h THR 100 Cb 0.70 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 2kkp h THR 100 CO 0.00 0.56 -0.85 -0.08 -0.25 0.00 0.00 175.52 174.90 2kkp h GLU 101 N 0.25 0.00 0.00 4.72 4.81 -1.91 -3.01 114.58 119.44 2kkp h GLU 101 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2kkp h GLU 101 Cb 1.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2kkp h GLU 101 CO 0.09 0.52 -0.03 0.00 -0.73 0.00 0.00 179.01 178.86 2kkp h ALA 102 N 1.39 0.99 -1.76 2.92 0.00 -1.30 -3.39 119.26 118.11 2kkp h ALA 102 Ca -0.05 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.17 2kkp h ALA 102 Cb 1.51 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.14 2kkp h ALA 102 CO 0.07 0.04 0.83 0.00 0.00 0.00 0.00 179.25 180.19 2kkp s ALA 103 N -3.43 3.23 0.10 0.00 0.00 0.20 -4.95 121.76 116.91 2kkp s ALA 103 Ca 0.04 -2.47 0.05 0.00 0.00 0.00 0.00 51.96 49.58 2kkp s ALA 103 Cb 0.07 -4.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 2kkp s ALA 103 CO 0.61 -3.00 -0.12 -1.59 0.00 0.00 0.00 175.76 171.66 2kkp s LYS 104 N 3.31 0.90 -0.98 0.00 -2.85 -1.26 -4.81 119.74 114.04 2kkp s LYS 104 Ca 0.31 -1.14 -0.08 0.00 -1.00 0.00 0.00 55.97 54.07 2kkp s LYS 104 Cb -0.07 -0.72 0.25 0.00 -2.06 0.00 0.00 37.83 35.22 2kkp s LYS 104 CO -0.04 0.13 0.93 -1.25 0.10 0.00 0.00 175.35 175.22 2kkp s PRO 105 N -2.50 3.77 0.10 1.78 0.04 -1.26 -4.84 135.00 132.09 2kkp s PRO 105 Ca 0.05 -3.04 0.06 0.00 0.04 0.00 0.00 61.00 58.10 2kkp s PRO 105 Cb -0.05 -4.34 -0.22 0.00 0.04 0.00 0.00 34.50 29.92 2kkp s PRO 105 CO 0.02 -1.25 1.20 -1.00 0.04 0.00 0.00 177.00 176.01 2kkp h PRO 106 N 6.76 0.04 0.00 0.56 0.13 -2.00 -3.46 132.00 134.03 2kkp h PRO 106 Ca 0.15 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2kkp h PRO 106 Cb 0.90 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2kkp h PRO 106 CO 0.91 0.99 0.00 -2.13 -0.23 0.00 0.00 178.00 177.54 2kkp n ARG 107 N -3.35 0.00 -2.92 0.86 3.00 -1.26 -5.12 116.66 107.86 2kkp n ARG 107 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.81 2kkp n ARG 107 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.41 2kkp n ARG 107 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2kkp n HIS 108 N -1.36 -2.00 -0.72 -0.14 -0.00 -1.26 -4.96 115.22 104.78 2kkp n HIS 108 Ca 0.00 1.02 -0.30 0.00 -0.00 0.00 0.00 57.72 58.44 2kkp n HIS 108 Cb 0.00 -2.41 0.20 0.00 -0.00 0.00 0.00 29.99 27.78 2kkp n HIS 108 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2kkp s PRO 109 N -0.88 0.27 -0.74 1.57 0.02 -1.26 -4.94 135.00 129.05 2kkp s PRO 109 Ca -0.06 1.15 -0.17 0.00 0.02 0.00 0.00 61.00 61.94 2kkp s PRO 109 Cb 0.00 -1.67 0.14 0.00 0.02 0.00 0.00 34.50 33.00 2kkp s PRO 109 CO 0.37 -3.01 0.83 -0.51 -0.33 0.00 0.00 177.00 174.35 2kkp s LEU 110 N -6.79 5.69 0.45 -5.54 2.01 -1.26 -5.00 118.68 108.25 2kkp s LEU 110 Ca 0.67 -1.94 0.03 0.00 0.01 0.00 0.00 54.13 52.90 2kkp s LEU 110 Cb -0.23 -2.30 -0.03 0.00 0.01 0.00 0.00 46.19 43.64 2kkp s LEU 110 CO 0.61 -0.95 0.05 -1.61 1.01 0.00 0.00 176.35 175.45 2kkp s GLU 111 N 1.98 2.04 0.00 1.70 2.02 -1.26 -4.84 118.70 120.35 2kkp s GLU 111 Ca 0.18 -2.26 0.00 0.00 0.02 0.00 0.00 54.97 52.91 2kkp s GLU 111 Cb -0.16 -1.19 0.00 0.00 0.10 0.00 0.00 34.13 32.88 2kkp s GLU 111 CO -0.02 -0.35 0.00 0.72 0.02 0.00 0.00 175.26 175.63 2kkp n HIS 112 N -1.07 0.00 -3.49 1.61 8.25 -1.26 -4.73 115.22 114.53 2kkp n HIS 112 Ca -0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.20 2kkp n HIS 112 Cb 0.66 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.73 2kkp n HIS 112 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kkp s HIS 113 N 0.00 -0.54 -0.00 4.41 -3.43 -1.26 -5.03 115.29 109.44 2kkp s HIS 113 Ca 0.00 0.68 -0.03 0.00 -0.80 0.00 0.00 55.06 54.92 2kkp s HIS 113 Cb 0.00 0.48 -0.27 0.00 -1.43 0.00 0.00 32.58 31.36 2kkp s HIS 113 CO 0.00 -0.64 0.84 1.25 -2.00 0.00 0.00 174.74 174.19 2kkp h HIS 114 N 2.49 0.44 -1.84 0.38 2.76 -1.93 -3.47 115.15 113.98 2kkp h HIS 114 Ca -0.27 -0.32 0.07 0.00 -2.20 0.00 0.00 60.37 57.64 2kkp h HIS 114 Cb 1.21 -0.02 -0.22 0.00 1.55 0.00 0.00 27.41 29.93 2kkp h HIS 114 CO 0.30 1.38 0.05 -1.58 -1.30 0.00 0.00 177.93 176.79 2kkp s HIS 115 N -2.62 -1.04 0.05 5.26 2.46 -1.26 -5.13 115.29 113.02 2kkp s HIS 115 Ca -0.09 1.96 -0.01 0.00 0.47 0.00 0.00 55.06 57.38 2kkp s HIS 115 Cb 0.07 0.62 -0.04 0.00 -0.13 0.00 0.00 32.58 33.10 2kkp s HIS 115 CO 0.85 -0.51 0.23 -3.38 -2.47 0.00 0.00 174.74 169.45 2kkp s HIS 116 N 2.03 3.52 -2.70 3.88 -0.00 -1.26 -5.23 115.29 115.53 2kkp s HIS 116 Ca -0.08 0.32 0.26 0.00 -0.00 0.00 0.00 55.06 55.56 2kkp s HIS 116 Cb -0.07 -1.81 0.70 0.00 -0.00 0.00 0.00 32.58 31.40 2kkp s HIS 116 CO -0.19 0.58 1.55 1.58 -0.00 0.00 0.00 174.74 178.27