#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkp s ILE 2 N 0.00 3.53 -0.34 3.17 2.07 -1.26 -4.35 121.20 124.02 2kkp s ILE 2 Ca 0.00 1.30 -0.11 0.00 -1.41 0.00 0.00 60.65 60.43 2kkp s ILE 2 Cb 0.00 -3.74 0.01 0.00 0.13 0.00 0.00 42.46 38.87 2kkp s ILE 2 CO 0.00 0.13 0.46 1.21 -1.91 0.00 0.00 174.94 174.83 2kkp n GLU 3 N 0.34 -1.75 -0.04 3.50 4.07 -1.26 -4.97 120.64 120.54 2kkp n GLU 3 Ca 0.03 1.70 0.12 0.00 -0.06 0.00 0.00 57.16 58.95 2kkp n GLU 3 Cb 0.47 -4.67 0.23 0.00 -0.06 0.00 0.00 31.44 27.41 2kkp n GLU 3 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2kkp n PRO 4 N -0.44 2.18 -0.09 5.31 -0.04 -1.26 -4.57 135.00 136.09 2kkp n PRO 4 Ca 0.08 -1.72 -0.11 0.00 -0.04 0.00 0.00 63.50 61.71 2kkp n PRO 4 Cb 0.36 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 2kkp n PRO 4 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kkp n SER 5 N 1.05 1.93 -2.93 3.54 3.41 -1.26 -5.07 113.62 114.29 2kkp n SER 5 Ca 0.16 0.35 -0.10 0.00 -0.26 0.00 0.00 58.87 59.03 2kkp n SER 5 Cb 0.53 -0.76 0.01 0.00 -0.26 0.00 0.00 64.21 63.73 2kkp n SER 5 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2kkp n LYS 6 N -4.45 -2.24 -3.30 4.33 4.81 -1.26 -4.94 118.16 111.11 2kkp n LYS 6 Ca -0.18 2.00 -0.46 0.00 -0.87 0.00 0.00 58.31 58.80 2kkp n LYS 6 Cb 0.55 -5.38 -0.01 0.00 0.02 0.00 0.00 35.03 30.20 2kkp n LYS 6 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2kkp s ILE 7 N -2.56 5.67 0.71 3.15 1.01 -1.26 -5.02 121.20 122.90 2kkp s ILE 7 Ca 0.23 -2.73 -0.06 0.00 0.00 0.00 0.00 60.65 58.10 2kkp s ILE 7 Cb -0.06 -4.54 0.07 0.00 0.01 0.00 0.00 42.46 37.94 2kkp s ILE 7 CO 0.78 -1.12 1.01 0.42 0.00 0.00 0.00 174.94 176.02 2kkp s THR 8 N -0.10 2.29 0.11 2.92 -4.23 -1.26 -0.73 115.64 114.63 2kkp s THR 8 Ca 0.24 -0.33 -0.28 0.00 -1.18 0.00 0.00 61.69 60.14 2kkp s THR 8 Cb -0.09 -2.96 -0.10 0.00 1.34 0.00 0.00 72.50 70.69 2kkp s THR 8 CO -0.08 0.00 1.63 0.58 -0.54 0.00 0.00 174.62 176.21 2kkp h VAL 9 N -0.59 0.39 0.00 2.29 2.07 -1.61 -2.66 116.25 116.14 2kkp h VAL 9 Ca -0.43 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2kkp h VAL 9 Cb 1.30 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2kkp h VAL 9 CO 0.56 0.00 -0.08 1.05 0.02 0.00 0.00 177.57 179.12 2kkp h GLU 10 N -0.53 0.00 -0.07 1.57 -0.00 -1.92 0.51 114.58 114.15 2kkp h GLU 10 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.38 2kkp h GLU 10 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.28 2kkp h GLU 10 CO -0.13 0.08 0.04 1.96 -0.00 0.00 0.00 179.01 180.96 2kkp h GLN 11 N 0.00 0.09 0.05 1.06 1.08 -1.82 0.65 115.11 116.21 2kkp h GLN 11 Ca -0.00 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.00 2kkp h GLN 11 Cb 0.53 -0.02 0.02 0.00 -0.05 0.00 0.00 27.48 27.96 2kkp h GLN 11 CO 0.01 0.11 -0.78 2.35 -0.95 0.00 0.00 178.83 179.56 2kkp h TRP 12 N 0.05 0.69 -0.11 2.96 7.01 -1.44 -3.24 115.95 121.87 2kkp h TRP 12 Ca 0.02 -0.41 0.00 0.00 2.11 0.00 0.00 58.89 60.61 2kkp h TRP 12 Cb 0.04 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 2kkp h TRP 12 CO -0.06 1.26 0.08 1.25 -2.79 0.00 0.00 178.44 178.17 2kkp h LEU 13 N -0.07 0.13 -0.42 0.65 5.85 -0.85 0.20 115.31 120.80 2kkp h LEU 13 Ca -0.11 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2kkp h LEU 13 Cb 1.51 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2kkp h LEU 13 CO 0.15 0.10 0.19 -1.13 -0.34 0.00 0.00 178.44 177.41 2kkp h ASN 14 N 0.15 0.56 0.12 1.25 -1.24 -1.02 -0.50 115.58 114.91 2kkp h ASN 14 Ca 0.04 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.91 2kkp h ASN 14 Cb -0.02 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 38.89 2kkp h ASN 14 CO -0.01 0.54 -0.06 -0.09 -1.29 0.00 0.00 177.43 176.52 2kkp h ARG 15 N 0.54 -0.16 -0.28 6.67 2.43 -1.51 -0.74 114.38 121.33 2kkp h ARG 15 Ca 0.14 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2kkp h ARG 15 Cb 0.14 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2kkp h ARG 15 CO -0.02 0.03 0.09 2.35 -1.51 0.00 0.00 179.97 180.91 2kkp h TRP 16 N -0.33 0.15 0.34 2.20 2.91 -0.49 0.13 115.95 120.86 2kkp h TRP 16 Ca -0.02 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 2kkp h TRP 16 Cb 0.27 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 2kkp h TRP 16 CO -0.02 0.07 -0.16 -0.07 -1.03 0.00 0.00 178.44 177.23 2kkp h LEU 17 N 0.21 -0.38 -0.40 0.65 4.07 -1.05 -1.44 115.31 116.95 2kkp h LEU 17 Ca 0.12 -0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.96 2kkp h LEU 17 Cb 0.10 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 2kkp h LEU 17 CO -0.13 -0.23 -0.14 0.74 -1.08 0.00 0.00 178.44 177.60 2kkp h THR 18 N -0.51 1.28 0.01 0.22 2.02 -0.92 -1.90 112.91 113.10 2kkp h THR 18 Ca -0.05 -1.25 -0.20 0.00 0.77 0.00 0.00 66.41 65.68 2kkp h THR 18 Cb 0.38 1.24 0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2kkp h THR 18 CO 0.08 0.42 -0.79 -0.78 0.37 0.00 0.00 175.52 174.82 2kkp h ASP 19 N 0.62 0.68 0.74 4.18 3.58 -0.79 -3.25 116.42 122.17 2kkp h ASP 19 Ca 0.10 -0.76 -0.25 0.00 0.42 0.00 0.00 57.03 56.53 2kkp h ASP 19 Cb 0.68 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 2kkp h ASP 19 CO 0.05 1.35 -1.34 1.88 -2.88 0.00 0.00 179.24 178.30 2kkp h TYR 20 N 0.08 0.04 -0.11 0.28 -1.99 -1.32 -3.33 116.97 110.62 2kkp h TYR 20 Ca -0.10 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.58 2kkp h TYR 20 Cb 1.48 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.21 2kkp h TYR 20 CO 0.13 1.03 0.00 0.00 -0.00 0.00 0.00 178.16 179.33 2kkp h ALA 21 N 0.95 0.15 -1.62 3.88 0.00 -1.48 -3.50 119.26 117.64 2kkp h ALA 21 Ca -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kkp h ALA 21 Cb 1.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2kkp h ALA 21 CO 0.11 -0.17 -0.39 1.63 0.00 0.00 0.00 179.25 180.43 2kkp n LYS 22 N -4.81 -2.04 -0.39 0.00 5.02 -1.23 -4.62 118.16 110.08 2kkp n LYS 22 Ca -0.06 1.49 -0.01 0.00 -2.02 0.00 0.00 58.31 57.71 2kkp n LYS 22 Cb 0.19 -1.66 -0.01 0.00 -0.02 0.00 0.00 35.03 33.53 2kkp n LYS 22 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2kkp n PRO 23 N -0.42 0.78 -3.37 1.97 -0.02 -1.26 -4.45 135.00 128.23 2kkp n PRO 23 Ca 0.00 -0.08 -0.18 0.00 -2.02 0.00 0.00 63.50 61.22 2kkp n PRO 23 Cb 0.00 -1.23 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 2kkp n PRO 23 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2kkp s HIS 24 N 0.70 -0.23 -0.09 6.00 5.04 -1.26 -5.12 115.29 120.34 2kkp s HIS 24 Ca 0.05 -0.81 -0.17 0.00 -1.54 0.00 0.00 55.06 52.59 2kkp s HIS 24 Cb 0.02 -0.46 0.04 0.00 0.04 0.00 0.00 32.58 32.22 2kkp s HIS 24 CO 0.00 -0.95 0.40 -0.51 -2.34 0.00 0.00 174.74 171.34 2kkp s LEU 25 N 1.52 0.46 -0.40 8.88 1.43 -1.26 -5.12 118.68 124.19 2kkp s LEU 25 Ca 0.16 0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 53.50 2kkp s LEU 25 Cb -0.16 1.50 0.02 0.00 0.03 0.00 0.00 46.19 47.58 2kkp s LEU 25 CO -0.07 -0.33 0.99 -0.60 0.23 0.00 0.00 176.35 176.58 2kkp s ARG 26 N -0.59 3.81 3.42 1.70 6.06 -1.26 -4.89 118.95 127.20 2kkp s ARG 26 Ca -0.07 0.60 0.00 0.00 -2.50 0.00 0.00 55.73 53.76 2kkp s ARG 26 Cb -0.04 -3.83 0.00 0.00 0.06 0.00 0.00 34.95 31.14 2kkp s ARG 26 CO 0.03 -1.07 0.00 1.04 -2.50 0.00 0.00 175.30 172.80 2kkp n GLN 27 N 7.06 0.00 -1.22 5.12 6.02 -1.26 -4.91 117.38 128.19 2kkp n GLN 27 Ca 0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.00 2kkp n GLN 27 Cb 0.48 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.71 2kkp n GLN 27 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kkp n SER 28 N -2.38 -4.07 0.10 1.08 2.88 -1.26 -4.89 113.62 105.09 2kkp n SER 28 Ca 0.00 0.19 -0.17 0.00 -1.33 0.00 0.00 58.87 57.56 2kkp n SER 28 Cb 0.00 -2.23 -0.11 0.00 -0.75 0.00 0.00 64.21 61.12 2kkp n SER 28 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2kkp h THR 29 N 0.00 1.43 -2.61 2.46 2.02 -1.95 -3.40 112.91 110.86 2kkp h THR 29 Ca -0.15 -2.79 -0.63 0.00 0.77 0.00 0.00 66.41 63.61 2kkp h THR 29 Cb 0.54 2.77 -0.14 0.00 -1.74 0.00 0.00 68.15 69.58 2kkp h THR 29 CO 0.22 0.82 0.59 0.86 0.37 0.00 0.00 175.52 178.38 2kkp s TRP 30 N -2.87 2.69 -0.05 3.16 -0.00 -1.26 -4.98 118.94 115.63 2kkp s TRP 30 Ca -0.05 -0.60 -0.04 0.00 -0.00 0.00 0.00 56.10 55.41 2kkp s TRP 30 Cb 0.07 -4.31 0.02 0.00 -0.00 0.00 0.00 33.47 29.26 2kkp s TRP 30 CO 0.89 -1.65 0.13 -2.00 -0.00 0.00 0.00 176.95 174.31 2kkp s GLU 31 N 4.03 0.12 0.02 5.86 2.56 -1.26 -5.07 118.70 124.95 2kkp s GLU 31 Ca 0.23 0.25 0.17 0.00 0.00 0.00 0.00 54.97 55.62 2kkp s GLU 31 Cb -0.16 -0.03 -0.17 0.00 2.00 0.00 0.00 34.13 35.77 2kkp s GLU 31 CO 0.09 -0.08 0.69 0.43 -0.56 0.00 0.00 175.26 175.83 2kkp n SER 32 N 3.48 0.68 0.23 -1.70 7.64 -1.26 -4.22 113.62 118.48 2kkp n SER 32 Ca -0.18 0.30 0.07 0.00 1.01 0.00 0.00 58.87 60.08 2kkp n SER 32 Cb 0.56 0.41 0.56 0.00 -1.01 0.00 0.00 64.21 64.73 2kkp n SER 32 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 2kkp h TYR 33 N 0.00 0.00 -0.82 1.43 -0.00 -2.00 -2.09 116.97 113.50 2kkp h TYR 33 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.53 2kkp h TYR 33 Cb 1.64 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 38.33 2kkp h TYR 33 CO 0.00 0.20 0.51 1.49 -0.00 0.00 0.00 178.16 180.36 2kkp h GLU 34 N 0.00 1.09 0.14 0.10 4.81 -2.01 -1.82 114.58 116.90 2kkp h GLU 34 Ca -0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2kkp h GLU 34 Cb 0.40 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2kkp h GLU 34 CO 0.03 0.75 -0.07 1.15 -0.73 0.00 0.00 179.01 180.14 2kkp h THR 35 N 1.11 0.99 -0.61 0.32 2.02 -1.63 -3.20 112.91 111.90 2kkp h THR 35 Ca 0.30 -1.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 2kkp h THR 35 Cb -0.08 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2kkp h THR 35 CO -0.06 0.24 0.24 -0.37 0.37 0.00 0.00 175.52 175.95 2kkp h VAL 36 N -0.77 1.22 0.21 3.16 -1.51 -1.48 -2.37 116.25 114.70 2kkp h VAL 36 Ca -0.02 -0.67 -0.01 0.00 -1.23 0.00 0.00 66.70 64.77 2kkp h VAL 36 Cb 0.54 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 2kkp h VAL 36 CO 0.03 0.27 -0.10 0.25 -1.23 0.00 0.00 177.57 176.79 2kkp h LEU 37 N 0.87 -0.23 -1.18 4.19 5.85 -1.42 -2.55 115.31 120.83 2kkp h LEU 37 Ca 0.21 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.01 2kkp h LEU 37 Cb 0.17 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 2kkp h LEU 37 CO -0.02 -0.14 0.58 0.08 -0.34 0.00 0.00 178.44 178.60 2kkp h ARG 38 N -0.33 0.92 -0.69 1.25 0.11 -1.60 0.38 114.38 114.43 2kkp h ARG 38 Ca -0.03 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 59.97 2kkp h ARG 38 Cb 0.21 -0.21 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 2kkp h ARG 38 CO 0.05 0.61 0.31 1.25 0.10 0.00 0.00 179.97 182.29 2kkp h LEU 39 N 0.95 0.90 0.00 0.08 5.85 -1.45 -2.99 115.31 118.66 2kkp h LEU 39 Ca 0.40 -0.11 -0.44 0.00 0.84 0.00 0.00 57.88 58.56 2kkp h LEU 39 Cb 0.29 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 2kkp h LEU 39 CO -0.16 0.78 -2.51 1.41 -0.34 0.00 0.00 178.44 177.62 2kkp n HIS 40 N -4.32 0.00 0.09 1.25 8.25 -0.76 -4.56 115.22 115.16 2kkp n HIS 40 Ca 0.06 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.54 2kkp n HIS 40 Cb 0.15 -0.98 -0.03 0.00 1.12 0.00 0.00 29.99 30.25 2kkp n HIS 40 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2kkp h VAL 41 N -0.77 0.71 0.01 1.59 3.04 -1.08 -3.34 116.25 116.41 2kkp h VAL 41 Ca -0.67 -2.13 -0.00 0.00 -1.01 0.00 0.00 66.70 62.89 2kkp h VAL 41 Cb 1.67 2.24 0.00 0.00 -2.01 0.00 0.00 31.29 33.19 2kkp h VAL 41 CO -0.35 0.40 -0.01 0.40 -1.01 0.00 0.00 177.57 177.01 2kkp h ILE 42 N 0.00 1.38 0.00 3.17 5.03 -1.64 -2.40 117.51 123.05 2kkp h ILE 42 Ca -0.08 -1.22 0.00 0.00 -0.12 0.00 0.00 64.86 63.44 2kkp h ILE 42 Cb 1.48 2.20 0.00 0.00 -3.03 0.00 0.00 36.82 37.47 2kkp h ILE 42 CO 0.06 0.31 0.00 -2.65 -0.68 0.00 0.00 178.15 175.19 2kkp n PRO 43 N -4.85 0.01 -0.10 2.37 -0.02 -1.26 -0.70 135.00 130.46 2kkp n PRO 43 Ca -0.09 0.30 -0.16 0.00 -2.02 0.00 0.00 63.50 61.53 2kkp n PRO 43 Cb 0.27 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.19 2kkp n PRO 43 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2kkp n THR 44 N -1.48 1.42 -0.27 3.45 5.66 -1.21 -4.82 114.28 117.02 2kkp n THR 44 Ca 0.03 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2kkp n THR 44 Cb 0.12 -2.08 0.00 0.00 -1.55 0.00 0.00 70.33 66.83 2kkp n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kkp n LEU 45 N -4.24 1.11 0.17 1.09 -0.00 -0.92 -4.63 117.00 109.57 2kkp n LEU 45 Ca -0.29 -1.11 0.13 0.00 -0.00 0.00 0.00 56.01 54.74 2kkp n LEU 45 Cb 0.63 0.00 0.55 0.00 -0.00 0.00 0.00 43.42 44.60 2kkp n LEU 45 CO 0.12 0.28 0.89 1.23 -0.00 0.00 0.00 177.39 179.91 2kkp h GLY 46 N 0.00 0.00 -0.96 1.47 0.00 -0.69 -1.07 103.07 101.82 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 1.44 0.00 0.00 0.00 176.54 177.98 2kkp n SER 47 N -2.45 1.84 -4.52 0.19 7.64 -1.25 -3.68 113.62 111.39 2kkp n SER 47 Ca 0.02 -1.73 -0.34 0.00 1.01 0.00 0.00 58.87 57.83 2kkp n SER 47 Cb 0.24 -0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.77 3.69 0.32 0.44 1.01 -0.41 -4.98 121.20 119.50 2kkp s ILE 48 Ca 0.33 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.24 2kkp s ILE 48 Cb 0.18 -2.56 -0.13 0.00 0.01 0.00 0.00 42.46 39.96 2kkp s ILE 48 CO 0.27 0.55 1.21 -2.65 0.00 0.00 0.00 174.94 174.32 2kkp n PRO 49 N 2.93 1.90 -0.34 2.79 -0.02 -1.26 -3.04 135.00 137.95 2kkp n PRO 49 Ca -0.18 0.67 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 2kkp n PRO 49 Cb 0.53 -2.19 0.23 0.00 -0.02 0.00 0.00 33.50 32.05 2kkp n PRO 49 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kkp h LEU 50 N 2.44 0.95 -0.91 2.45 3.38 -1.18 0.19 115.31 122.63 2kkp h LEU 50 Ca -0.44 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2kkp h LEU 50 Cb 1.30 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2kkp h LEU 50 CO 0.62 0.57 0.00 0.29 0.09 0.00 0.00 178.44 180.01 2kkp n LYS 51 N -4.54 1.58 0.00 1.13 5.02 -1.26 -2.65 118.16 117.44 2kkp n LYS 51 Ca 0.16 -0.89 0.02 0.00 -2.02 0.00 0.00 58.31 55.59 2kkp n LYS 51 Cb 0.26 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 2kkp n LYS 51 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kkp n LYS 52 N 0.20 5.20 -2.06 1.97 4.81 -0.03 -5.02 118.16 123.23 2kkp n LYS 52 Ca 0.10 -0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 57.09 2kkp n LYS 52 Cb 0.22 -0.75 -0.03 0.00 0.02 0.00 0.00 35.03 34.49 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 -2.20 4.32 -0.12 3.14 1.98 -0.69 -4.96 118.68 120.16 2kkp s LEU 53 Ca 0.02 2.23 -0.06 0.00 -2.89 0.00 0.00 54.13 53.43 2kkp s LEU 53 Cb 0.04 -3.55 -0.04 0.00 0.66 0.00 0.00 46.19 43.30 2kkp s LEU 53 CO 0.21 -0.86 0.12 -1.10 -1.89 0.00 0.00 176.35 172.82 2kkp s GLN 54 N 3.37 3.40 0.55 1.98 -1.52 -1.26 -4.99 119.66 121.19 2kkp s GLN 54 Ca 0.70 -0.18 0.25 0.00 -1.95 0.00 0.00 55.36 54.19 2kkp s GLN 54 Cb -0.34 -3.14 1.45 0.00 -0.22 0.00 0.00 33.01 30.76 2kkp s GLN 54 CO 0.29 0.74 2.03 -1.00 -0.25 0.00 0.00 175.29 177.10 2kkp h PRO 55 N 5.10 0.00 0.00 2.91 0.13 -1.95 -0.56 132.00 137.63 2kkp h PRO 55 Ca -0.54 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.55 2kkp h PRO 55 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2kkp h PRO 55 CO 0.58 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 178.15 2kkp h ALA 56 N 1.75 1.65 -0.04 -0.56 0.00 -1.87 -2.00 119.26 118.19 2kkp h ALA 56 Ca 0.18 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2kkp h ALA 56 Cb 0.79 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kkp h ALA 56 CO -0.00 0.26 -0.82 0.22 0.00 0.00 0.00 179.25 178.91 2kkp h ASP 57 N 0.00 0.46 -0.59 0.00 1.82 -1.51 0.24 116.42 116.84 2kkp h ASP 57 Ca -0.00 -0.33 -0.03 0.00 -0.39 0.00 0.00 57.03 56.28 2kkp h ASP 57 Cb 0.37 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.21 2kkp h ASP 57 CO 0.03 1.10 0.27 0.40 -1.61 0.00 0.00 179.24 179.43 2kkp h ILE 58 N 0.23 1.22 -0.50 2.25 2.04 -1.44 0.22 117.51 121.52 2kkp h ILE 58 Ca -0.05 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 2kkp h ILE 58 Cb 1.42 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2kkp h ILE 58 CO 0.14 0.25 -0.07 -0.61 0.00 0.00 0.00 178.15 177.86 2kkp h GLN 59 N 0.81 0.90 -0.79 2.37 4.15 -1.16 -2.44 115.11 118.95 2kkp h GLN 59 Ca 0.20 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 2kkp h GLN 59 Cb 0.14 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 2kkp h GLN 59 CO -0.02 0.94 0.43 -0.09 -1.93 0.00 0.00 178.83 178.16 2kkp h ARG 60 N 0.82 1.10 0.01 1.69 2.43 -0.04 -0.50 114.38 119.88 2kkp h ARG 60 Ca 0.14 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2kkp h ARG 60 Cb 0.59 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2kkp h ARG 60 CO 0.04 0.81 -0.10 1.25 -1.51 0.00 0.00 179.97 180.46 2kkp h LEU 61 N 1.10 -0.28 -0.08 3.80 7.12 -0.11 0.14 115.31 127.01 2kkp h LEU 61 Ca 0.28 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.33 2kkp h LEU 61 Cb 0.03 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.28 2kkp h LEU 61 CO -0.04 -0.14 0.05 1.88 -0.13 0.00 0.00 178.44 180.05 2kkp h TYR 62 N -0.18 0.10 0.29 1.25 0.05 -1.17 -2.22 116.97 115.10 2kkp h TYR 62 Ca 0.03 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 2kkp h TYR 62 Cb 0.22 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.93 2kkp h TYR 62 CO -0.16 0.12 -0.14 0.00 -1.05 0.00 0.00 178.16 176.94 2kkp h ALA 63 N 0.97 -0.39 -0.49 3.88 0.00 -0.92 -1.11 119.26 121.20 2kkp h ALA 63 Ca 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2kkp h ALA 63 Cb 0.05 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2kkp h ALA 63 CO -0.00 -0.67 0.12 1.03 0.00 0.00 0.00 179.25 179.72 2kkp h SER 64 N -0.49 0.75 0.31 0.00 0.87 -0.75 -0.95 113.55 113.29 2kkp h SER 64 Ca -0.04 -0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.17 2kkp h SER 64 Cb 0.37 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2kkp h SER 64 CO 0.07 0.79 -0.47 0.50 -0.53 0.00 0.00 176.83 177.19 2kkp h LYS 65 N 0.68 0.20 -0.53 2.24 1.63 -1.40 0.11 116.57 119.50 2kkp h LYS 65 Ca 0.15 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 2kkp h LYS 65 Cb 0.33 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2kkp h LYS 65 CO 0.00 0.63 0.14 1.25 -3.45 0.00 0.00 179.45 178.02 2kkp h LEU 66 N 0.16 0.79 -1.58 5.20 5.85 -0.79 -0.71 115.31 124.23 2kkp h LEU 66 Ca 0.01 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 2kkp h LEU 66 Cb 0.89 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2kkp h LEU 66 CO 0.07 0.81 -0.23 -0.33 -0.34 0.00 0.00 178.44 178.42 2kkp h GLU 67 N 0.74 0.00 0.00 1.25 4.39 -0.67 -1.72 114.58 118.56 2kkp h GLU 67 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2kkp h GLU 67 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2kkp h GLU 67 CO -0.00 0.23 0.00 0.77 -1.16 0.00 0.00 179.01 178.84 2kkp h SER 68 N 0.00 0.00 0.00 1.42 0.02 -0.20 -3.46 113.55 111.33 2kkp h SER 68 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkp h SER 68 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2kkp h SER 68 CO 0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 2kkp n GLY 69 N 0.39 1.81 3.76 -3.77 0.00 -0.65 -5.07 105.19 101.65 2kkp n GLY 69 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.53 0.10 0.99 2.96 -0.35 -4.95 118.68 121.96 2kkp s LEU 70 Ca 0.00 2.33 -0.31 0.00 -0.22 0.00 0.00 54.13 55.93 2kkp s LEU 70 Cb 0.00 -3.63 -0.10 0.00 0.50 0.00 0.00 46.19 42.96 2kkp s LEU 70 CO 0.00 -0.21 1.84 -0.44 -1.32 0.00 0.00 176.35 176.22 2kkp s SER 71 N -0.75 6.45 0.32 3.68 0.01 -1.26 -4.67 113.70 117.48 2kkp s SER 71 Ca 0.46 2.71 0.04 0.00 1.31 0.00 0.00 55.95 60.47 2kkp s SER 71 Cb -0.33 -2.56 0.66 0.00 0.21 0.00 0.00 66.02 64.00 2kkp s SER 71 CO 0.42 -1.01 1.89 -0.65 0.41 0.00 0.00 173.24 174.31 2kkp h PRO 72 N 9.03 0.85 -0.48 12.44 0.11 -1.95 0.92 132.00 152.92 2kkp h PRO 72 Ca -0.46 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 2kkp h PRO 72 Cb 1.22 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2kkp h PRO 72 CO 0.95 0.56 -0.19 1.79 -0.21 0.00 0.00 178.00 180.90 2kkp h THR 73 N 0.87 1.27 -0.16 -1.15 1.35 -1.99 -1.58 112.91 111.52 2kkp h THR 73 Ca 0.42 -1.35 -0.20 0.00 -0.55 0.00 0.00 66.41 64.74 2kkp h THR 73 Cb 0.45 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2kkp h THR 73 CO -0.19 0.46 -0.69 0.03 -0.25 0.00 0.00 175.52 174.89 2kkp h ARG 74 N 0.82 0.67 0.00 4.72 3.08 -1.64 -2.27 114.38 119.76 2kkp h ARG 74 Ca 0.11 -0.51 -0.05 0.00 0.07 0.00 0.00 59.98 59.61 2kkp h ARG 74 Cb 0.76 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2kkp h ARG 74 CO 0.06 1.12 -0.24 -0.24 -1.07 0.00 0.00 179.97 179.61 2kkp h VAL 75 N 0.48 0.58 -0.29 2.04 3.04 -0.85 -0.56 116.25 120.69 2kkp h VAL 75 Ca -0.03 -1.15 -0.12 0.00 -1.01 0.00 0.00 66.70 64.39 2kkp h VAL 75 Cb 1.29 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 32.34 2kkp h VAL 75 CO 0.14 0.23 -0.33 -0.09 -1.01 0.00 0.00 177.57 176.51 2kkp h ARG 76 N 0.00 0.62 -0.28 4.17 1.12 -1.00 -0.90 114.38 118.12 2kkp h ARG 76 Ca -0.00 -0.28 -0.12 0.00 -1.11 0.00 0.00 59.98 58.46 2kkp h ARG 76 Cb 0.76 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.71 2kkp h ARG 76 CO 0.03 0.86 -0.31 -0.92 -3.11 0.00 0.00 179.97 176.53 2kkp h TYR 77 N 0.53 0.84 -0.88 2.20 3.20 -0.79 -3.01 116.97 119.06 2kkp h TYR 77 Ca 0.06 -0.26 0.06 0.00 3.14 0.00 0.00 58.73 61.73 2kkp h TYR 77 Cb 0.82 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 2kkp h TYR 77 CO 0.04 1.01 0.56 0.82 -1.64 0.00 0.00 178.16 178.94 2kkp h ILE 78 N 0.43 1.06 -0.45 1.81 2.04 -1.00 -1.67 117.51 119.73 2kkp h ILE 78 Ca 0.04 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.59 2kkp h ILE 78 Cb 0.88 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 2kkp h ILE 78 CO 0.07 0.19 0.20 -0.74 0.00 0.00 0.00 178.15 177.87 2kkp h HIS 79 N 1.02 0.36 0.09 1.37 2.76 -1.06 0.86 115.15 120.55 2kkp h HIS 79 Ca 0.38 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 58.31 2kkp h HIS 79 Cb 0.15 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.01 2kkp h HIS 79 CO -0.03 0.16 -1.14 -0.24 -1.30 0.00 0.00 177.93 175.39 2kkp h VAL 80 N 0.40 1.48 0.04 5.26 3.04 -1.35 -1.83 116.25 123.29 2kkp h VAL 80 Ca 0.20 -2.90 -0.23 0.00 -1.01 0.00 0.00 66.70 62.76 2kkp h VAL 80 Cb 0.15 2.79 -0.00 0.00 -2.01 0.00 0.00 31.29 32.21 2kkp h VAL 80 CO -0.17 0.85 -1.01 1.62 -1.01 0.00 0.00 177.57 177.85 2kkp h VAL 81 N 0.11 1.45 -0.43 1.51 3.04 -1.19 -2.22 116.25 118.53 2kkp h VAL 81 Ca -0.11 -2.66 -0.12 0.00 -1.01 0.00 0.00 66.70 62.79 2kkp h VAL 81 Cb 1.84 2.58 -0.01 0.00 -2.01 0.00 0.00 31.29 33.69 2kkp h VAL 81 CO 0.19 0.79 -0.22 0.25 -1.01 0.00 0.00 177.57 177.57 2kkp h LEU 82 N 0.16 0.89 -0.76 3.16 6.46 -0.89 -1.91 115.31 122.43 2kkp h LEU 82 Ca -0.09 -0.33 0.08 0.00 -0.12 0.00 0.00 57.88 57.43 2kkp h LEU 82 Cb 1.67 -0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 41.29 2kkp h LEU 82 CO 0.17 1.07 0.42 -0.74 -0.62 0.00 0.00 178.44 178.74 2kkp h HIS 83 N 0.76 0.76 0.22 1.25 2.76 -1.21 0.49 115.15 120.18 2kkp h HIS 83 Ca 0.10 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2kkp h HIS 83 Cb 0.76 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2kkp h HIS 83 CO 0.04 0.32 -0.11 1.49 -1.30 0.00 0.00 177.93 178.38 2kkp h GLU 84 N 0.72 -0.29 -0.19 5.26 4.57 -1.06 -3.15 114.58 120.44 2kkp h GLU 84 Ca 0.36 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.50 2kkp h GLU 84 Cb 0.32 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2kkp h GLU 84 CO -0.24 -0.03 -0.11 0.00 -1.18 0.00 0.00 179.01 177.45 2kkp h ALA 85 N 0.20 0.28 0.00 2.92 0.00 -1.04 -3.20 119.26 118.41 2kkp h ALA 85 Ca -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2kkp h ALA 85 Cb 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kkp h ALA 85 CO 0.05 0.13 -0.06 1.98 0.00 0.00 0.00 179.25 181.35 2kkp h MET 86 N 0.11 0.00 0.00 0.00 1.85 -1.02 -1.94 114.93 113.92 2kkp h MET 86 Ca 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 2kkp h MET 86 Cb 0.61 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.64 2kkp h MET 86 CO 0.03 0.06 0.00 0.77 -0.40 0.00 0.00 176.91 177.37 2kkp h SER 87 N 0.00 0.00 1.25 1.39 0.02 -1.53 -2.09 113.55 112.59 2kkp h SER 87 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkp h SER 87 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2kkp h SER 87 CO 0.01 0.00 0.00 -0.61 -1.14 0.00 0.00 176.83 175.09 2kkp h GLN 88 N 0.00 0.00 -0.18 3.45 4.15 -1.49 -1.95 115.11 119.08 2kkp h GLN 88 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2kkp h GLN 88 Cb 0.36 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2kkp h GLN 88 CO 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 178.83 176.77 2kkp h ALA 89 N 2.04 1.45 -0.09 3.38 0.00 -1.54 -1.42 119.26 123.08 2kkp h ALA 89 Ca 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 2kkp h ALA 89 Cb 0.63 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kkp h ALA 89 CO 0.00 0.39 -0.74 -0.09 0.00 0.00 0.00 179.25 178.81 2kkp h ARG 90 N 0.27 0.48 -0.16 0.00 2.43 -1.50 -2.99 114.38 112.92 2kkp h ARG 90 Ca 0.05 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 2kkp h ARG 90 Cb 0.40 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2kkp h ARG 90 CO 0.02 1.02 -0.09 0.93 -1.51 0.00 0.00 179.97 180.35 2kkp h GLU 91 N 0.33 0.24 0.00 0.20 5.08 -1.27 -0.48 114.58 118.68 2kkp h GLU 91 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2kkp h GLU 91 Cb 1.32 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2kkp h GLU 91 CO 0.13 0.34 0.00 1.03 -1.00 0.00 0.00 179.01 179.51 2kkp h SER 92 N 0.23 0.00 0.00 1.42 0.87 -1.13 -3.46 113.55 111.47 2kkp h SER 92 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 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 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.93 2kkp n GLY 93 N 0.25 0.64 0.17 5.77 0.00 -0.19 -4.90 105.19 106.92 2kkp n GLY 93 Ca 0.03 0.00 0.10 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 -8.23 0.99 8.10 -1.75 -3.45 115.31 110.98 2kkp h LEU 94 Ca 0.00 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.39 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 0.08 -0.85 -0.22 -4.11 0.00 0.00 178.44 173.34 2kkp s LEU 95 N -5.92 1.91 0.26 0.17 2.96 -1.23 -4.81 118.68 112.02 2kkp s LEU 95 Ca 0.04 -0.42 0.14 0.00 -0.22 0.00 0.00 54.13 53.67 2kkp s LEU 95 Cb 0.07 -1.12 0.07 0.00 0.50 0.00 0.00 46.19 45.72 2kkp s LEU 95 CO 0.73 0.13 1.44 0.17 -1.32 0.00 0.00 176.35 177.50 2kkp h LEU 96 N 6.57 0.00 -9.13 -0.68 -0.00 -1.92 -3.41 115.31 106.73 2kkp h LEU 96 Ca -0.28 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 57.12 2kkp h LEU 96 Cb 1.20 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.72 2kkp h LEU 96 CO 0.47 0.56 -0.52 0.00 -0.00 0.00 0.00 178.44 178.95 2kkp s GLN 97 N -2.97 1.77 -0.28 0.17 -2.07 -1.26 -5.12 119.66 109.89 2kkp s GLN 97 Ca 0.03 -2.04 -0.07 0.00 -1.82 0.00 0.00 55.36 51.47 2kkp s GLN 97 Cb 0.08 -0.17 0.00 0.00 -1.09 0.00 0.00 33.01 31.83 2kkp s GLN 97 CO 0.75 -0.52 0.07 1.21 -1.32 0.00 0.00 175.29 175.48 2kkp s ASN 98 N -3.46 5.05 0.05 12.60 2.47 -1.26 -4.82 114.94 125.57 2kkp s ASN 98 Ca 0.33 -0.58 0.28 0.00 0.42 0.00 0.00 52.86 53.31 2kkp s ASN 98 Cb 0.03 -1.87 1.09 0.00 -1.45 0.00 0.00 41.25 39.05 2kkp s ASN 98 CO 0.19 -0.14 1.86 -0.81 -3.72 0.00 0.00 177.10 174.48 2kkp n PRO 99 N 4.87 0.07 0.23 0.43 -0.04 -1.26 -3.47 135.00 135.83 2kkp n PRO 99 Ca -0.15 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.50 2kkp n PRO 99 Cb 0.49 -1.58 0.35 0.00 -0.04 0.00 0.00 33.50 32.72 2kkp n PRO 99 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kkp h THR 100 N 0.00 0.00 0.00 0.52 1.35 -1.93 -3.16 112.91 109.69 2kkp h THR 100 Ca 0.00 -0.82 -0.09 0.00 -0.55 0.00 0.00 66.41 64.95 2kkp h THR 100 Cb 0.56 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 2kkp h THR 100 CO 0.00 0.00 -0.43 -0.33 -0.25 0.00 0.00 175.52 174.51 2kkp h GLU 101 N 0.00 0.00 -0.58 4.72 4.39 -1.98 -3.02 114.58 118.12 2kkp h GLU 101 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kkp h GLU 101 Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2kkp h GLU 101 CO 0.00 0.43 0.00 0.00 -1.16 0.00 0.00 179.01 178.28 2kkp n ALA 102 N -2.32 2.44 -2.82 3.43 0.00 -1.19 -4.79 120.51 115.26 2kkp n ALA 102 Ca -0.00 -1.02 -0.43 0.00 0.00 0.00 0.00 53.44 51.98 2kkp n ALA 102 Cb 0.53 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.26 3.25 -0.39 0.00 0.00 -1.14 -4.78 121.76 117.43 2kkp s ALA 103 Ca 0.39 -1.73 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 2kkp s ALA 103 Cb 0.20 -3.64 0.10 0.00 0.00 0.00 0.00 23.12 19.78 2kkp s ALA 103 CO 0.26 -2.40 0.16 0.15 0.00 0.00 0.00 175.76 173.92 2kkp s LYS 104 N 3.42 2.07 0.09 0.00 -0.14 -1.26 -4.98 119.74 118.94 2kkp s LYS 104 Ca 0.20 -1.71 -0.23 0.00 -1.36 0.00 0.00 55.97 52.88 2kkp s LYS 104 Cb -0.18 -3.50 -0.14 0.00 -1.68 0.00 0.00 37.83 32.34 2kkp s LYS 104 CO 0.12 -0.98 1.73 -1.35 -0.76 0.00 0.00 175.35 174.12 2kkp h PRO 105 N 8.03 -0.01 -7.07 -1.68 0.11 -1.94 -3.44 132.00 125.99 2kkp h PRO 105 Ca -0.14 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.52 2kkp h PRO 105 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2kkp h PRO 105 CO 0.66 -0.01 0.35 -1.25 -0.21 0.00 0.00 178.00 177.54 2kkp s PRO 106 N -6.19 4.13 0.00 1.05 0.04 -1.26 -4.97 135.00 127.80 2kkp s PRO 106 Ca -0.13 1.16 0.22 0.00 0.04 0.00 0.00 61.00 62.28 2kkp s PRO 106 Cb 0.06 -2.16 0.54 0.00 0.04 0.00 0.00 34.50 32.98 2kkp s PRO 106 CO 0.66 -0.12 1.46 2.89 0.04 0.00 0.00 177.00 181.93 2kkp n ARG 107 N -0.76 2.46 -0.10 4.56 1.85 -1.26 -4.35 116.66 119.05 2kkp n ARG 107 Ca 0.07 -2.24 -0.10 0.00 -1.00 0.00 0.00 57.85 54.59 2kkp n ARG 107 Cb 0.54 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.42 2kkp n ARG 107 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2kkp h HIS 108 N 3.97 0.50 -4.01 2.89 2.76 -1.98 -3.44 115.15 115.84 2kkp h HIS 108 Ca 0.00 -0.05 -0.55 0.00 -2.20 0.00 0.00 60.37 57.57 2kkp h HIS 108 Cb 0.89 -0.15 0.17 0.00 1.55 0.00 0.00 27.41 29.88 2kkp h HIS 108 CO 0.34 0.50 0.33 -0.35 -1.30 0.00 0.00 177.93 177.45 2kkp n PRO 109 N -4.69 0.68 -2.91 5.26 -0.04 -1.26 -3.89 135.00 128.14 2kkp n PRO 109 Ca -0.02 0.29 -0.04 0.00 -0.04 0.00 0.00 63.50 63.70 2kkp n PRO 109 Cb 0.16 -2.41 0.02 0.00 -0.04 0.00 0.00 33.50 31.23 2kkp n PRO 109 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kkp n LEU 110 N -2.17 -5.91 0.12 1.53 4.77 -1.26 -4.89 117.00 109.18 2kkp n LEU 110 Ca 0.14 -0.22 0.10 0.00 -0.03 0.00 0.00 56.01 56.00 2kkp n LEU 110 Cb 0.49 -2.98 0.45 0.00 -2.33 0.00 0.00 43.42 39.05 2kkp n LEU 110 CO 0.48 -0.68 0.79 -0.62 -1.33 0.00 0.00 177.39 176.02 2kkp n GLU 111 N -2.05 0.13 -2.22 3.23 -0.58 -1.25 -4.85 120.64 113.05 2kkp n GLU 111 Ca -0.02 0.51 -0.12 0.00 -0.42 0.00 0.00 57.16 57.11 2kkp n GLU 111 Cb 0.53 -1.83 -0.01 0.00 -0.57 0.00 0.00 31.44 29.56 2kkp n GLU 111 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2kkp n HIS 112 N -2.08 -0.58 -3.46 -0.32 -0.00 -1.26 -5.02 115.22 102.50 2kkp n HIS 112 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.62 2kkp n HIS 112 Cb 0.11 -2.77 0.01 0.00 -0.00 0.00 0.00 29.99 27.35 2kkp n HIS 112 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kkp n HIS 113 N -3.99 -1.61 -1.83 1.57 1.44 -1.26 -5.02 115.22 104.51 2kkp n HIS 113 Ca -0.15 -1.03 -0.39 0.00 -2.01 0.00 0.00 57.72 54.14 2kkp n HIS 113 Cb 0.61 -0.22 -0.03 0.00 0.12 0.00 0.00 29.99 30.47 2kkp n HIS 113 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kkp s HIS 114 N -1.05 1.45 0.00 -1.40 3.76 -1.26 -4.20 115.29 112.60 2kkp s HIS 114 Ca 0.19 0.99 0.00 0.00 -0.15 0.00 0.00 55.06 56.08 2kkp s HIS 114 Cb -0.01 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.76 2kkp s HIS 114 CO 0.12 -2.68 0.00 1.58 -0.85 0.00 0.00 174.74 172.91 2kkp n HIS 115 N 13.20 0.00 -3.38 1.40 -0.00 -1.26 -5.12 115.22 120.06 2kkp n HIS 115 Ca 0.27 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.59 2kkp n HIS 115 Cb 0.51 0.03 -0.09 0.00 -0.00 0.00 0.00 29.99 30.44 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 0.00 3.21 -2.31 1.57 2.46 -1.26 -5.19 115.29 113.78 2kkp s HIS 116 Ca 0.00 0.12 0.30 0.00 0.47 0.00 0.00 55.06 55.95 2kkp s HIS 116 Cb 0.00 -2.68 1.37 0.00 -0.13 0.00 0.00 32.58 31.14 2kkp s HIS 116 CO 0.00 -0.39 1.93 1.58 -2.47 0.00 0.00 174.74 175.39