#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkd s SER 33 N 0.00 6.67 0.46 1.61 1.04 -1.26 -4.94 113.70 117.28 3kkd s SER 33 Ca 0.00 1.50 0.20 0.00 0.48 0.00 0.00 55.95 58.12 3kkd s SER 33 Cb 0.00 -2.47 1.12 0.00 0.10 0.00 0.00 66.02 64.77 3kkd s SER 33 CO 0.00 -0.49 1.98 -0.08 0.98 0.00 0.00 173.24 175.63 3kkd h GLU 34 N 1.23 0.00 -0.95 4.02 4.81 -2.05 -1.58 114.58 120.06 3kkd h GLU 34 Ca -0.47 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.86 3kkd h GLU 34 Cb 1.18 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.49 3kkd h GLU 34 CO 0.62 0.20 0.59 1.96 -0.73 0.00 0.00 179.01 181.65 3kkd h GLN 35 N 0.00 0.95 0.00 1.92 4.20 -1.98 0.51 115.11 120.71 3kkd h GLN 35 Ca -0.00 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 3kkd h GLN 35 Cb 0.42 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.99 3kkd h GLN 35 CO 0.03 0.63 -0.60 -0.09 -0.67 0.00 0.00 178.83 178.12 3kkd h ARG 36 N 0.98 0.41 -0.37 1.46 2.43 -1.68 0.11 114.38 117.72 3kkd h ARG 36 Ca 0.45 -0.44 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3kkd h ARG 36 Cb 0.37 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.95 3kkd h ARG 36 CO -0.24 1.11 -0.38 -0.09 -1.51 0.00 0.00 179.97 178.85 3kkd h ARG 37 N -0.11 -0.30 -0.62 0.20 2.43 -1.34 -0.72 114.38 113.92 3kkd h ARG 37 Ca -0.08 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3kkd h ARG 37 Cb 1.32 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.91 3kkd h ARG 37 CO 0.12 -0.20 0.37 0.37 -1.51 0.00 0.00 179.97 179.12 3kkd h GLN 38 N -0.32 0.83 -0.48 0.20 5.75 -0.69 -0.59 115.11 119.81 3kkd h GLN 38 Ca 0.15 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 3kkd h GLN 38 Cb 0.57 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 3kkd h GLN 38 CO -0.54 0.58 0.29 0.00 -2.65 0.00 0.00 178.83 176.51 3kkd h ALA 39 N 1.56 0.61 -0.15 3.38 0.00 0.19 -0.59 119.26 124.27 3kkd h ALA 39 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kkd h ALA 39 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kkd h ALA 39 CO -0.04 -0.01 0.09 0.82 0.00 0.00 0.00 179.25 180.11 3kkd h ILE 40 N 0.58 1.06 -0.80 0.00 2.04 -0.28 -1.97 117.51 118.15 3kkd h ILE 40 Ca 0.19 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.97 3kkd h ILE 40 Cb 0.01 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 3kkd h ILE 40 CO -0.08 0.05 0.50 -0.07 0.00 0.00 0.00 178.15 178.55 3kkd h LEU 41 N 0.18 0.80 -1.36 1.44 3.38 -0.90 -1.10 115.31 117.76 3kkd h LEU 41 Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3kkd h LEU 41 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3kkd h LEU 41 CO -0.01 0.54 -0.19 0.44 0.09 0.00 0.00 178.44 179.31 3kkd h ASP 42 N 0.94 0.00 0.10 -0.43 3.32 -0.84 -2.97 116.42 116.55 3kkd h ASP 42 Ca 0.33 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.24 3kkd h ASP 42 Cb 0.08 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.64 3kkd h ASP 42 CO -0.14 0.19 -0.65 0.00 -1.72 0.00 0.00 179.24 176.92 3kkd h ALA 43 N 1.81 -0.05 0.00 3.45 0.00 -0.66 -1.79 119.26 122.01 3kkd h ALA 43 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3kkd h ALA 43 Cb 0.62 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kkd h ALA 43 CO 0.02 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3kkd n ALA 44 N -2.68 0.90 0.00 0.00 0.00 -0.48 -1.54 120.51 116.71 3kkd n ALA 44 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3kkd n ALA 44 Cb 0.74 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3kkd n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kkd n ARG 46 N 0.62 0.00 -0.09 0.00 1.74 -0.68 -0.81 116.66 117.44 3kkd n ARG 46 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3kkd n ARG 46 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3kkd n ARG 46 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3kkd h LEU 47 N 0.00 0.60 -0.78 0.55 3.38 -1.56 -2.23 115.31 115.27 3kkd h LEU 47 Ca 0.00 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.54 3kkd h LEU 47 Cb 0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3kkd h LEU 47 CO 0.00 0.92 0.51 0.40 0.09 0.00 0.00 178.44 180.36 3kkd h ILE 48 N 0.30 1.19 -0.29 1.22 2.04 -1.13 0.45 117.51 121.29 3kkd h ILE 48 Ca 0.05 -0.36 -0.17 0.00 1.00 0.00 0.00 64.86 65.38 3kkd h ILE 48 Cb 0.71 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3kkd h ILE 48 CO 0.05 0.19 -0.51 0.58 0.00 0.00 0.00 178.15 178.46 3kkd h VAL 49 N 1.04 1.28 0.00 1.67 2.07 -1.80 0.45 116.25 120.96 3kkd h VAL 49 Ca 0.29 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3kkd h VAL 49 Cb -0.11 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3kkd h VAL 49 CO -0.07 0.55 -0.03 -0.09 0.02 0.00 0.00 177.57 177.96 3kkd h ARG 50 N 0.65 0.00 0.00 1.57 2.43 -1.19 -3.42 114.38 114.42 3kkd h ARG 50 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3kkd h ARG 50 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3kkd h ARG 50 CO 0.11 0.99 0.00 -0.25 -1.51 0.00 0.00 179.97 179.31 3kkd n ASP 51 N -4.61 0.91 -0.08 -3.80 8.00 0.16 -5.10 116.55 112.02 3kkd n ASP 51 Ca -0.10 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3kkd n ASP 51 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3kkd n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kkd n GLY 52 N -0.03 -2.02 0.17 0.44 0.00 0.16 -4.40 105.19 99.50 3kkd n GLY 52 Ca 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 46.02 44.66 3kkd n GLY 52 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kkd h VAL 53 N -0.01 0.87 0.00 1.61 3.04 -1.81 -2.32 116.25 117.63 3kkd h VAL 53 Ca 0.00 -1.82 0.00 0.00 -1.01 0.00 0.00 66.70 63.87 3kkd h VAL 53 Cb 0.01 2.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3kkd h VAL 53 CO 0.00 0.42 0.00 0.03 -1.01 0.00 0.00 177.57 177.01 3kkd h ARG 54 N 0.00 0.00 0.00 4.17 3.08 -1.97 0.17 114.38 119.83 3kkd h ARG 54 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kkd h ARG 54 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3kkd h ARG 54 CO 0.06 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.96 3kkd n ALA 55 N -1.94 2.05 -2.63 0.04 0.00 -0.87 -4.64 120.51 112.52 3kkd n ALA 55 Ca -0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 3kkd n ALA 55 Cb 0.18 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 3kkd n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kkd s VAL 56 N -3.09 4.12 0.05 0.00 1.01 0.04 -4.70 120.40 117.83 3kkd s VAL 56 Ca 0.10 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3kkd s VAL 56 Cb 0.13 -5.03 -0.03 0.00 0.00 0.00 0.00 36.38 31.45 3kkd s VAL 56 CO 0.47 -1.88 -0.07 -0.13 0.00 0.00 0.00 175.10 173.49 3kkd s ARG 57 N 4.38 0.54 0.21 2.72 0.52 -1.26 -5.04 118.95 121.02 3kkd s ARG 57 Ca 0.45 -0.83 -0.09 0.00 -0.52 0.00 0.00 55.73 54.74 3kkd s ARG 57 Cb -0.00 -0.20 0.29 0.00 0.52 0.00 0.00 34.95 35.56 3kkd s ARG 57 CO -0.07 0.02 1.73 0.45 0.02 0.00 0.00 175.30 177.45 3kkd h HIS 58 N 4.28 0.32 -0.29 -0.53 3.86 -1.99 -1.17 115.15 119.63 3kkd h HIS 58 Ca -0.35 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 58.76 3kkd h HIS 58 Cb 1.20 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 3kkd h HIS 58 CO 0.64 0.04 -0.32 0.00 0.86 0.00 0.00 177.93 179.15 3kkd h ARG 59 N 0.34 0.73 -0.75 2.45 -0.00 -1.97 0.66 114.38 115.85 3kkd h ARG 59 Ca 0.31 -0.39 -0.04 0.00 -0.50 0.00 0.00 59.98 59.36 3kkd h ARG 59 Cb 0.43 0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.38 3kkd h ARG 59 CO -0.35 1.01 0.32 0.00 0.00 0.00 0.00 179.97 180.96 3kkd h ALA 60 N 0.70 0.97 0.01 0.04 0.00 -1.80 0.10 119.26 119.27 3kkd h ALA 60 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kkd h ALA 60 Cb 0.89 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kkd h ALA 60 CO 0.08 0.57 -0.00 0.28 0.00 0.00 0.00 179.25 180.17 3kkd h VAL 61 N 1.06 1.32 -0.25 0.00 2.07 -0.82 0.51 116.25 120.15 3kkd h VAL 61 Ca 0.25 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.81 3kkd h VAL 61 Cb 0.17 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 3kkd h VAL 61 CO -0.03 0.26 0.01 0.00 0.02 0.00 0.00 177.57 177.83 3kkd h ALA 62 N 0.54 0.23 -0.87 1.67 0.00 -0.79 0.43 119.26 120.46 3kkd h ALA 62 Ca -0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kkd h ALA 62 Cb 0.43 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3kkd h ALA 62 CO 0.00 -0.41 0.57 0.00 0.00 0.00 0.00 179.25 179.42 3kkd h ALA 63 N 1.21 1.10 -0.24 0.00 0.00 -0.76 0.27 119.26 120.84 3kkd h ALA 63 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3kkd h ALA 63 Cb 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kkd h ALA 63 CO -0.19 0.51 -0.39 1.49 0.00 0.00 0.00 179.25 180.67 3kkd h GLU 64 N 1.18 0.56 0.00 0.00 4.57 -0.09 -2.92 114.58 117.89 3kkd h GLU 64 Ca 0.32 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3kkd h GLU 64 Cb -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3kkd h GLU 64 CO -0.07 0.86 -0.14 0.00 -1.18 0.00 0.00 179.01 178.48 3kkd h ALA 65 N 1.11 0.91 -5.86 2.92 0.00 0.15 -3.48 119.26 115.01 3kkd h ALA 65 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3kkd h ALA 65 Cb 0.89 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3kkd h ALA 65 CO 0.08 0.00 -0.42 1.04 0.00 0.00 0.00 179.25 179.95 3kkd n GLN 66 N -2.36 -1.41 -3.85 0.00 6.02 0.92 -4.96 117.38 111.74 3kkd n GLN 66 Ca 0.05 1.20 -0.10 0.00 -0.01 0.00 0.00 57.00 58.14 3kkd n GLN 66 Cb 0.45 -4.56 -0.05 0.00 1.02 0.00 0.00 30.24 27.10 3kkd n GLN 66 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3kkd s VAL 67 N -3.02 0.05 0.67 5.09 -7.23 -1.00 -5.05 120.40 109.90 3kkd s VAL 67 Ca 0.03 -1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 3kkd s VAL 67 Cb -0.01 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 3kkd s VAL 67 CO 0.80 -0.22 1.05 -2.84 -0.31 0.00 0.00 175.10 173.58 3kkd s PRO 68 N -3.92 3.13 0.33 4.82 0.02 -1.26 -4.51 135.00 133.62 3kkd s PRO 68 Ca 0.13 0.84 0.12 0.00 0.02 0.00 0.00 61.00 62.11 3kkd s PRO 68 Cb 0.01 -2.02 1.03 0.00 0.02 0.00 0.00 34.50 33.54 3kkd s PRO 68 CO -0.02 -0.93 1.65 1.25 -0.33 0.00 0.00 177.00 178.62 3kkd h LEU 69 N -0.59 0.35 -1.08 -5.54 5.85 -1.92 -1.40 115.31 110.97 3kkd h LEU 69 Ca -0.44 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 3kkd h LEU 69 Cb 1.21 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 3kkd h LEU 69 CO 0.59 -0.18 0.23 0.77 -0.34 0.00 0.00 178.44 179.50 3kkd h SER 70 N 0.25 0.80 -0.51 1.25 4.64 -1.98 -1.00 113.55 117.00 3kkd h SER 70 Ca 0.71 -0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.97 3kkd h SER 70 Cb 1.61 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 63.44 3kkd h SER 70 CO -0.65 0.73 0.23 0.00 -0.87 0.00 0.00 176.83 176.27 3kkd h ALA 71 N 1.39 0.65 -0.23 5.18 0.00 -1.61 -0.48 119.26 124.15 3kkd h ALA 71 Ca 0.20 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 3kkd h ALA 71 Cb 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kkd h ALA 71 CO -0.02 -0.14 -0.58 1.79 0.00 0.00 0.00 179.25 180.31 3kkd h THR 72 N 0.45 1.29 0.00 0.00 1.35 -1.24 -2.32 112.91 112.45 3kkd h THR 72 Ca 0.24 -1.79 -0.11 0.00 -0.55 0.00 0.00 66.41 64.20 3kkd h THR 72 Cb 0.19 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 3kkd h THR 72 CO -0.20 0.57 -0.52 0.71 -0.25 0.00 0.00 175.52 175.83 3kkd h THR 73 N 0.56 1.21 0.23 6.82 1.35 -1.26 0.68 112.91 122.50 3kkd h THR 73 Ca 0.00 -1.90 -0.01 0.00 -0.55 0.00 0.00 66.41 63.96 3kkd h THR 73 Cb 1.16 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3kkd h THR 73 CO 0.12 0.51 -0.11 0.22 -0.25 0.00 0.00 175.52 176.01 3kkd h TYR 74 N 0.00 -0.29 -0.04 4.73 3.20 -0.93 -2.58 116.97 121.06 3kkd h TYR 74 Ca -0.01 -0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.64 3kkd h TYR 74 Cb 1.03 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3kkd h TYR 74 CO 0.00 0.06 -0.86 1.88 -1.64 0.00 0.00 178.16 177.60 3kkd h TYR 75 N -0.70 0.65 -2.11 -3.82 0.05 -1.39 -3.39 116.97 106.26 3kkd h TYR 75 Ca -0.03 -0.33 -0.55 0.00 0.05 0.00 0.00 58.73 57.87 3kkd h TYR 75 Cb 0.48 -0.09 -0.41 0.00 1.01 0.00 0.00 36.73 37.73 3kkd h TYR 75 CO 0.04 1.13 -0.91 1.19 -1.05 0.00 0.00 178.16 178.55 3kkd n PHE 76 N -3.80 1.75 -0.19 4.88 3.01 0.24 -4.95 117.46 118.39 3kkd n PHE 76 Ca -0.06 -3.87 -0.03 0.00 1.01 0.00 0.00 57.45 54.50 3kkd n PHE 76 Cb 0.78 -0.45 0.04 0.00 -0.01 0.00 0.00 39.48 39.84 3kkd n PHE 76 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3kkd h LYS 77 N 3.49 -0.07 -5.55 -1.08 -0.00 -1.59 -3.37 116.57 108.40 3kkd h LYS 77 Ca 0.12 0.00 -0.65 0.00 -0.00 0.00 0.00 60.65 60.13 3kkd h LYS 77 Cb 0.77 0.02 -0.15 0.00 -0.00 0.00 0.00 32.23 32.86 3kkd h LYS 77 CO 0.64 -0.05 -0.59 0.34 -0.00 0.00 0.00 179.45 179.80 3kkd s ASP 78 N -5.19 5.46 0.45 7.07 2.15 -1.26 -4.90 116.67 120.45 3kkd s ASP 78 Ca -0.14 0.11 0.12 0.00 0.43 0.00 0.00 52.55 53.07 3kkd s ASP 78 Cb 0.18 -1.79 1.03 0.00 -0.30 0.00 0.00 42.92 42.03 3kkd s ASP 78 CO 0.72 0.27 2.06 -0.29 -0.17 0.00 0.00 175.17 177.76 3kkd h ILE 79 N 4.58 1.08 0.00 4.11 6.09 -1.98 -0.29 117.51 131.09 3kkd h ILE 79 Ca -0.43 -0.27 -0.01 0.00 -1.37 0.00 0.00 64.86 62.78 3kkd h ILE 79 Cb 1.19 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 39.40 3kkd h ILE 79 CO 0.63 0.09 -0.06 0.44 -3.07 0.00 0.00 178.15 176.18 3kkd h ASP 80 N 0.21 0.00 -0.23 2.19 3.32 -1.94 -0.33 116.42 119.64 3kkd h ASP 80 Ca 0.05 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 3kkd h ASP 80 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3kkd h ASP 80 CO -0.00 0.06 -0.37 0.44 -1.72 0.00 0.00 179.24 177.64 3kkd h ASP 81 N 0.00 0.80 -0.36 6.45 3.32 -1.41 -0.43 116.42 124.80 3kkd h ASP 81 Ca -0.00 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 3kkd h ASP 81 Cb 0.18 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3kkd h ASP 81 CO 0.01 1.09 -0.09 0.25 -1.72 0.00 0.00 179.24 178.78 3kkd h LEU 82 N 0.63 0.70 -0.28 1.55 5.85 -1.18 -1.76 115.31 120.81 3kkd h LEU 82 Ca 0.06 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.47 3kkd h LEU 82 Cb 0.92 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 3kkd h LEU 82 CO 0.08 0.90 -0.13 0.40 -0.34 0.00 0.00 178.44 179.36 3kkd h ILE 83 N 0.48 0.59 -0.43 4.05 1.08 -0.99 -0.39 117.51 121.91 3kkd h ILE 83 Ca 0.09 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.59 3kkd h ILE 83 Cb 0.60 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 3kkd h ILE 83 CO 0.04 0.00 0.23 0.74 -0.69 0.00 0.00 178.15 178.46 3kkd h THR 84 N -0.08 0.99 -0.27 -0.27 2.02 -0.96 -1.54 112.91 112.80 3kkd h THR 84 Ca 0.15 -0.16 -0.13 0.00 0.77 0.00 0.00 66.41 67.04 3kkd h THR 84 Cb 0.31 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3kkd h THR 84 CO -0.34 0.08 -0.36 0.44 0.37 0.00 0.00 175.52 175.71 3kkd h ASP 85 N 0.45 0.64 -0.45 4.18 3.32 -1.02 -1.24 116.42 122.30 3kkd h ASP 85 Ca 0.18 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 3kkd h ASP 85 Cb 0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3kkd h ASP 85 CO -0.11 0.94 -0.13 0.71 -1.72 0.00 0.00 179.24 178.94 3kkd h THR 86 N 0.51 1.27 -0.37 0.35 1.35 -0.89 -1.54 112.91 113.59 3kkd h THR 86 Ca 0.05 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 3kkd h THR 86 Cb 0.86 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3kkd h THR 86 CO 0.07 0.44 0.24 0.15 -0.25 0.00 0.00 175.52 176.17 3kkd h PHE 87 N 0.83 0.48 -0.38 4.73 3.57 -1.15 -1.84 116.94 123.18 3kkd h PHE 87 Ca 0.13 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3kkd h PHE 87 Cb 0.66 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3kkd h PHE 87 CO 0.04 0.32 0.23 0.00 -2.23 0.00 0.00 178.31 176.67 3kkd h ALA 88 N 1.12 0.48 -0.28 2.41 0.00 -0.94 -0.10 119.26 121.95 3kkd h ALA 88 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kkd h ALA 88 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kkd h ALA 88 CO -0.03 -0.02 0.18 1.25 0.00 0.00 0.00 179.25 180.63 3kkd h LEU 89 N 0.50 0.33 -0.76 0.00 5.85 -1.20 0.59 115.31 120.62 3kkd h LEU 89 Ca 0.14 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3kkd h LEU 89 Cb 0.00 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3kkd h LEU 89 CO -0.03 0.26 0.50 2.19 -0.34 0.00 0.00 178.44 181.03 3kkd h PHE 90 N 0.37 0.95 -0.37 1.25 -0.00 -0.74 -0.88 116.94 117.54 3kkd h PHE 90 Ca 0.10 0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 58.04 3kkd h PHE 90 Cb -0.02 -0.32 -0.01 0.00 -0.00 0.00 0.00 35.95 35.60 3kkd h PHE 90 CO -0.05 0.60 0.02 0.28 -0.00 0.00 0.00 178.31 179.16 3kkd h VAL 91 N 1.02 1.25 -0.65 0.88 2.07 -0.77 -1.92 116.25 118.13 3kkd h VAL 91 Ca 0.28 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3kkd h VAL 91 Cb -0.11 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3kkd h VAL 91 CO -0.07 0.31 0.28 -0.08 0.02 0.00 0.00 177.57 178.04 3kkd h GLU 92 N 0.46 0.94 -0.17 1.57 4.81 -0.33 0.19 114.58 122.05 3kkd h GLU 92 Ca 0.11 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 3kkd h GLU 92 Cb 0.42 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.64 3kkd h GLU 92 CO 0.01 0.75 -0.55 0.00 -0.73 0.00 0.00 179.01 178.50 3kkd h ARG 93 N 0.93 0.68 0.00 1.92 3.08 -1.07 -2.57 114.38 117.34 3kkd h ARG 93 Ca 0.22 -0.50 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 3kkd h ARG 93 Cb 0.15 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3kkd h ARG 93 CO -0.02 1.12 -0.29 -0.91 -1.07 0.00 0.00 179.97 178.79 3kkd h ASN 94 N 0.36 0.00 -0.36 7.04 2.35 -0.67 -2.20 115.58 122.11 3kkd h ASN 94 Ca -0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 3kkd h ASN 94 Cb 1.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 3kkd h ASN 94 CO 0.12 0.29 -0.06 0.00 -1.65 0.00 0.00 177.43 176.13 3kkd h ALA 95 N 1.71 0.49 -0.54 -0.83 0.00 -0.58 -2.52 119.26 116.99 3kkd h ALA 95 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3kkd h ALA 95 Cb 0.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3kkd h ALA 95 CO 0.04 0.31 0.07 0.93 0.00 0.00 0.00 179.25 180.60 3kkd h GLU 96 N 0.47 0.87 -0.43 0.00 5.08 -1.37 -1.15 114.58 118.05 3kkd h GLU 96 Ca 0.09 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 3kkd h GLU 96 Cb 0.55 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3kkd h GLU 96 CO 0.03 0.83 -0.26 0.00 -1.00 0.00 0.00 179.01 178.61 3kkd h ALA 97 N 1.25 0.72 -0.12 3.43 0.00 -1.30 -1.39 119.26 121.85 3kkd h ALA 97 Ca 0.17 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 3kkd h ALA 97 Cb 0.39 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kkd h ALA 97 CO 0.01 0.67 -0.83 1.25 0.00 0.00 0.00 179.25 180.34 3kkd h LEU 98 N 0.78 0.93 -0.96 0.00 5.85 -1.20 -0.50 115.31 120.20 3kkd h LEU 98 Ca 0.09 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3kkd h LEU 98 Cb 0.82 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3kkd h LEU 98 CO 0.07 1.44 0.62 0.28 -0.34 0.00 0.00 178.44 180.51 3kkd h SER 99 N 0.51 1.12 -0.61 1.25 0.02 -1.17 -0.50 113.55 114.17 3kkd h SER 99 Ca -0.07 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3kkd h SER 99 Cb 1.46 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 3kkd h SER 99 CO 0.17 0.83 0.37 0.00 -1.14 0.00 0.00 176.83 177.06 3kkd h ALA 100 N 1.34 0.79 -0.25 3.77 0.00 -1.15 -0.55 119.26 123.22 3kkd h ALA 100 Ca 0.35 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3kkd h ALA 100 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3kkd h ALA 100 CO -0.07 0.10 0.14 0.35 0.00 0.00 0.00 179.25 179.78 3kkd h PHE 101 N 0.73 0.27 -0.39 0.00 3.57 -0.13 -0.97 116.94 120.02 3kkd h PHE 101 Ca 0.25 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 3kkd h PHE 101 Cb 0.03 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3kkd h PHE 101 CO -0.06 0.16 0.11 -1.49 -2.23 0.00 0.00 178.31 174.80 3kkd h TRP 102 N 0.30 0.64 -0.94 0.41 -0.00 -0.88 -2.14 115.95 113.34 3kkd h TRP 102 Ca 0.10 -0.07 0.11 0.00 -0.00 0.00 0.00 58.89 59.03 3kkd h TRP 102 Cb 0.00 -0.18 -0.08 0.00 -0.00 0.00 0.00 29.16 28.90 3kkd h TRP 102 CO -0.08 0.61 0.57 0.77 -0.00 0.00 0.00 178.44 180.32 3kkd h SER 103 N 0.49 0.84 0.74 -3.49 0.02 -0.97 -1.82 113.55 109.37 3kkd h SER 103 Ca 0.12 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3kkd h SER 103 Cb 0.28 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3kkd h SER 103 CO -0.00 0.46 -0.16 0.77 -1.14 0.00 0.00 176.83 176.76 3kkd h SER 104 N 0.93 0.00 -0.00 3.07 4.64 -0.52 -2.58 113.55 119.09 3kkd h SER 104 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3kkd h SER 104 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3kkd h SER 104 CO -0.25 0.16 -0.93 0.52 -0.87 0.00 0.00 176.83 175.46 3kkd n VAL 105 N -3.42 0.00 -0.30 0.95 0.31 -0.83 -4.69 118.33 110.35 3kkd n VAL 105 Ca -0.00 -0.04 -0.05 0.00 -0.01 0.00 0.00 64.34 64.24 3kkd n VAL 105 Cb 0.35 1.03 0.07 0.00 -0.91 0.00 0.00 33.84 34.38 3kkd n VAL 105 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3kkd h GLU 106 N 0.32 1.16 0.25 5.55 4.57 -0.93 -0.12 114.58 125.37 3kkd h GLU 106 Ca 0.00 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 3kkd h GLU 106 Cb 0.53 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 3kkd h GLU 106 CO 0.00 0.89 -0.44 0.78 -1.18 0.00 0.00 179.01 179.06 3kkd h GLY 107 N 1.15 -0.98 -0.18 1.92 0.00 -1.84 0.27 103.07 103.41 3kkd h GLY 107 Ca 0.28 0.53 0.18 0.00 0.00 0.00 0.00 47.33 48.32 3kkd h GLY 107 CO -0.04 -0.30 0.21 -0.55 0.00 0.00 0.00 176.54 175.86 3kkd h ASP 108 N -0.76 0.03 -0.08 0.19 3.32 -1.84 -0.76 116.42 116.52 3kkd h ASP 108 Ca -0.01 0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.23 3kkd h ASP 108 Cb 0.74 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 3kkd h ASP 108 CO -0.18 -0.06 -0.12 0.25 -1.72 0.00 0.00 179.24 177.41 3kkd h LEU 109 N 0.27 -0.35 -0.36 1.55 5.85 -0.03 -3.11 115.31 119.12 3kkd h LEU 109 Ca 0.46 0.06 -0.19 0.00 0.84 0.00 0.00 57.88 59.06 3kkd h LEU 109 Cb 0.83 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3kkd h LEU 109 CO -0.55 -0.16 -0.82 1.56 -0.34 0.00 0.00 178.44 178.13 3kkd h GLN 110 N -0.16 0.21 -1.84 1.25 4.20 0.68 -3.34 115.11 116.12 3kkd h GLN 110 Ca 0.07 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3kkd h GLN 110 Cb 0.26 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3kkd h GLN 110 CO -0.18 0.92 0.00 -1.91 -0.67 0.00 0.00 178.83 176.99 3kkd n GLU 111 N -3.71 0.00 0.00 1.46 2.13 -0.41 -4.01 120.64 116.10 3kkd n GLU 111 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 3kkd n GLU 111 Cb 0.76 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 31.17 3kkd n GLU 111 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kkd n ALA 113 N 1.08 0.00 0.06 4.31 0.00 -1.26 -1.57 120.51 123.13 3kkd n ALA 113 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3kkd n ALA 113 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3kkd n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kkd h ALA 114 N 0.00 0.02 -0.22 0.00 0.00 -1.94 -0.12 119.26 117.00 3kkd h ALA 114 Ca 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 54.91 54.03 3kkd h ALA 114 Cb 0.00 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3kkd h ALA 114 CO 0.00 0.71 -0.30 0.28 0.00 0.00 0.00 179.25 179.93 3kkd h VAL 115 N -0.14 0.30 -0.64 0.00 2.07 -1.64 1.37 116.25 117.57 3kkd h VAL 115 Ca -0.26 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.30 3kkd h VAL 115 Cb 1.89 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 3kkd h VAL 115 CO 0.16 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 178.05 3kkd h LEU 116 N -0.33 0.60 -0.53 2.57 3.38 -1.72 1.50 115.31 120.78 3kkd h LEU 116 Ca 0.12 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3kkd h LEU 116 Cb 0.52 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3kkd h LEU 116 CO -0.40 0.41 0.35 0.00 0.09 0.00 0.00 178.44 178.88 3kkd h ALA 117 N 1.30 0.67 0.00 1.53 0.00 0.25 -3.14 119.26 119.87 3kkd h ALA 117 Ca 0.27 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 3kkd h ALA 117 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kkd h ALA 117 CO -0.13 0.11 -0.90 0.22 0.00 0.00 0.00 179.25 178.54 3kkd h ASP 118 N 0.71 0.00 -0.76 0.00 3.58 0.24 -3.44 116.42 116.75 3kkd h ASP 118 Ca 0.20 -0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.71 3kkd h ASP 118 Cb -0.08 -0.00 -0.20 0.00 1.72 0.00 0.00 39.33 40.77 3kkd h ASP 118 CO -0.05 0.90 -0.28 -0.62 -2.88 0.00 0.00 179.24 176.32 3kkd s ASP 119 N -6.75 -1.23 0.00 2.28 2.15 0.51 -5.03 116.67 108.60 3kkd s ASP 119 Ca 0.00 -0.03 0.22 0.00 0.43 0.00 0.00 52.55 53.17 3kkd s ASP 119 Cb 0.11 1.72 0.00 0.00 -0.30 0.00 0.00 42.92 44.45 3kkd s ASP 119 CO 0.81 -0.20 1.07 -0.81 -0.17 0.00 0.00 175.17 175.87 3kkd n PRO 120 N 5.05 1.31 0.00 4.34 -0.05 -1.21 -2.05 135.00 142.40 3kkd n PRO 120 Ca 0.07 -1.03 0.02 0.00 -0.05 0.00 0.00 63.50 62.51 3kkd n PRO 120 Cb 0.56 -1.46 0.09 0.00 -0.05 0.00 0.00 33.50 32.64 3kkd n PRO 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3kkd n GLY 121 N 1.39 -0.57 0.00 0.55 0.00 -1.26 -2.52 105.19 102.78 3kkd n GLY 121 Ca 0.09 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.18 3kkd n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkd n ALA 122 N -1.43 1.80 -0.27 4.61 0.00 -0.87 -4.15 120.51 120.20 3kkd n ALA 122 Ca 0.01 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.44 3kkd n ALA 122 Cb 0.04 -1.28 0.18 0.00 0.00 0.00 0.00 19.45 18.40 3kkd n ALA 122 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3kkd h ARG 123 N 0.00 0.59 -0.55 0.00 0.11 -1.71 -1.23 114.38 111.59 3kkd h ARG 123 Ca 0.00 -0.04 0.10 0.00 0.10 0.00 0.00 59.98 60.15 3kkd h ARG 123 Cb 0.29 -0.13 -0.08 0.00 1.11 0.00 0.00 29.97 31.15 3kkd h ARG 123 CO 0.00 0.39 0.10 0.78 0.10 0.00 0.00 179.97 181.34 3kkd h GLY 124 N 0.61 0.68 2.00 0.08 0.00 -1.87 -1.37 103.07 103.19 3kkd h GLY 124 Ca 0.41 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.61 3kkd h GLY 124 CO -0.33 -0.10 -0.59 1.48 0.00 0.00 0.00 176.54 177.00 3kkd h SER 125 N 0.23 0.00 -0.30 0.19 4.64 -1.68 -2.72 113.55 113.91 3kkd h SER 125 Ca 0.29 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.50 3kkd h SER 125 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3kkd h SER 125 CO -0.38 0.59 -0.23 -0.07 -0.87 0.00 0.00 176.83 175.87 3kkd h LEU 126 N 0.00 0.73 -1.55 5.97 3.38 -0.83 -2.67 115.31 120.33 3kkd h LEU 126 Ca -0.01 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.59 3kkd h LEU 126 Cb 1.17 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3kkd h LEU 126 CO 0.08 1.02 0.40 0.58 0.09 0.00 0.00 178.44 180.60 3kkd h VAL 127 N 0.44 0.97 -0.25 1.22 2.07 -1.10 -0.83 116.25 118.77 3kkd h VAL 127 Ca 0.06 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3kkd h VAL 127 Cb 0.79 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3kkd h VAL 127 CO 0.06 0.10 0.02 -0.33 0.02 0.00 0.00 177.57 177.43 3kkd h GLU 128 N 0.53 0.10 -0.28 1.57 4.39 -1.16 -0.91 114.58 118.81 3kkd h GLU 128 Ca 0.26 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.83 3kkd h GLU 128 Cb 0.35 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3kkd h GLU 128 CO -0.08 0.06 -0.37 -0.09 -1.16 0.00 0.00 179.01 177.38 3kkd h ARG 129 N 0.10 0.64 -0.20 2.33 9.65 -1.23 -2.22 114.38 123.45 3kkd h ARG 129 Ca 0.12 -0.31 -0.02 0.00 -1.10 0.00 0.00 59.98 58.67 3kkd h ARG 129 Cb 0.14 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 3kkd h ARG 129 CO -0.19 0.91 0.05 0.82 2.80 0.00 0.00 179.97 184.36 3kkd h ILE 130 N 0.53 1.21 -0.52 1.20 2.04 -0.91 -1.71 117.51 119.35 3kkd h ILE 130 Ca 0.05 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 3kkd h ILE 130 Cb 0.88 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3kkd h ILE 130 CO 0.08 0.21 0.03 0.58 0.00 0.00 0.00 178.15 179.04 3kkd h VAL 131 N 0.14 1.26 -0.36 1.67 2.07 -1.12 0.69 116.25 120.59 3kkd h VAL 131 Ca 0.06 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.60 3kkd h VAL 131 Cb 0.27 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 3kkd h VAL 131 CO 0.00 0.37 0.02 -0.08 0.02 0.00 0.00 177.57 177.90 3kkd h GLU 132 N 0.77 0.12 -0.19 1.57 4.81 -1.34 -0.38 114.58 119.94 3kkd h GLU 132 Ca 0.15 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3kkd h GLU 132 Cb 0.48 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3kkd h GLU 132 CO 0.02 0.08 0.08 -0.07 -0.73 0.00 0.00 179.01 178.39 3kkd h LEU 133 N 0.12 0.26 -0.41 1.64 3.38 -0.89 0.56 115.31 119.97 3kkd h LEU 133 Ca 0.18 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3kkd h LEU 133 Cb 0.24 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3kkd h LEU 133 CO -0.28 0.35 0.20 0.00 0.09 0.00 0.00 178.44 178.80 3kkd h ALA 134 N 0.92 0.51 -0.01 1.53 0.00 -0.76 -0.71 119.26 120.74 3kkd h ALA 134 Ca 0.06 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3kkd h ALA 134 Cb 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kkd h ALA 134 CO -0.01 -0.16 -0.68 0.28 0.00 0.00 0.00 179.25 178.68 3kkd h VAL 135 N 0.40 1.47 -0.84 0.00 2.07 -0.91 -2.09 116.25 116.36 3kkd h VAL 135 Ca 0.18 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.41 3kkd h VAL 135 Cb 0.10 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3kkd h VAL 135 CO -0.13 0.66 0.51 -0.61 0.02 0.00 0.00 177.57 178.01 3kkd h GLN 136 N 0.04 1.13 0.06 1.57 4.15 -0.27 -0.53 115.11 121.26 3kkd h GLN 136 Ca -0.01 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.33 3kkd h GLN 136 Cb 1.21 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.62 3kkd h GLN 136 CO 0.09 0.79 -0.24 -0.92 -1.93 0.00 0.00 178.83 176.63 3kkd h TYR 137 N 1.15 -0.64 -0.54 3.99 3.20 -0.60 -1.43 116.97 122.11 3kkd h TYR 137 Ca 0.30 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 3kkd h TYR 137 Cb -0.05 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3kkd h TYR 137 CO -0.00 -0.33 0.31 0.28 -1.64 0.00 0.00 178.16 176.77 3kkd h VAL 138 N -0.41 1.17 -0.27 1.81 2.07 -1.12 -0.56 116.25 118.94 3kkd h VAL 138 Ca 0.04 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.16 3kkd h VAL 138 Cb 0.46 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3kkd h VAL 138 CO -0.17 0.18 0.16 1.56 0.02 0.00 0.00 177.57 179.32 3kkd h GLN 139 N 0.72 0.32 -0.42 1.57 4.20 -0.62 -0.92 115.11 119.95 3kkd h GLN 139 Ca 0.19 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.97 3kkd h GLN 139 Cb 0.02 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 27.64 3kkd h GLN 139 CO -0.03 0.21 -0.15 0.28 -0.67 0.00 0.00 178.83 178.46 3kkd h VAL 140 N 0.33 0.48 -0.63 -0.54 2.07 -0.97 -0.46 116.25 116.53 3kkd h VAL 140 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 3kkd h VAL 140 Cb -0.00 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3kkd h VAL 140 CO -0.05 0.00 0.36 1.56 0.02 0.00 0.00 177.57 179.46 3kkd h GLN 141 N -0.07 0.66 0.00 1.57 1.08 -0.39 -0.96 115.11 117.00 3kkd h GLN 141 Ca 0.20 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3kkd h GLN 141 Cb 0.38 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3kkd h GLN 141 CO -0.47 0.44 0.00 1.28 -0.95 0.00 0.00 178.83 179.13 3kkd n LEU 142 N -4.78 0.79 0.00 1.46 4.77 -0.42 -1.84 117.00 116.98 3kkd n LEU 142 Ca 0.07 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 3kkd n LEU 142 Cb 0.14 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3kkd n LEU 142 CO 0.30 -0.25 0.00 0.41 -1.33 0.00 0.00 177.39 176.52 3kkd n THR 143 N -2.26 0.00 -0.12 -5.08 -1.04 -0.21 -4.43 114.28 101.14 3kkd n THR 143 Ca 0.05 0.10 -0.02 0.00 -2.04 0.00 0.00 64.05 62.14 3kkd n THR 143 Cb 0.40 -0.95 0.21 0.00 -1.82 0.00 0.00 70.33 68.16 3kkd n THR 143 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3kkd h GLU 144 N 0.00 0.80 -0.80 -2.82 5.08 -1.41 -3.08 114.58 112.36 3kkd h GLU 144 Ca 0.00 -0.15 -0.57 0.00 -1.00 0.00 0.00 59.36 57.63 3kkd h GLU 144 Cb 0.00 -0.12 -0.40 0.00 0.50 0.00 0.00 28.75 28.73 3kkd h GLU 144 CO 0.00 0.71 -0.48 0.54 -1.00 0.00 0.00 179.01 178.78 3kkd n ARG 145 N -4.29 3.43 -0.03 2.33 1.74 -0.76 -4.77 116.66 114.31 3kkd n ARG 145 Ca 0.04 -3.99 -0.14 0.00 -0.77 0.00 0.00 57.85 52.98 3kkd n ARG 145 Cb 0.22 -2.28 -0.10 0.00 -1.02 0.00 0.00 32.46 29.28 3kkd n ARG 145 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3kkd h ARG 146 N 2.14 0.25 -1.00 5.56 2.43 -1.27 -1.82 114.38 120.67 3kkd h ARG 146 Ca 0.42 -0.20 0.08 0.00 -0.81 0.00 0.00 59.98 59.47 3kkd h ARG 146 Cb 1.40 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.91 3kkd h ARG 146 CO 0.92 0.84 0.64 0.93 -1.51 0.00 0.00 179.97 181.79 3kkd h GLU 147 N -0.28 1.09 -0.49 0.20 5.08 -1.86 0.23 114.58 118.56 3kkd h GLU 147 Ca -0.01 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3kkd h GLU 147 Cb 0.88 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3kkd h GLU 147 CO 0.05 0.72 0.13 0.45 -1.00 0.00 0.00 179.01 179.36 3kkd h HIS 148 N 1.12 0.80 -0.59 4.33 3.86 -1.92 -1.82 115.15 120.94 3kkd h HIS 148 Ca 0.45 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.49 3kkd h HIS 148 Cb 0.25 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 3kkd h HIS 148 CO -0.00 0.71 0.08 -0.07 0.86 0.00 0.00 177.93 179.51 3kkd h LEU 149 N 0.66 0.96 -0.90 2.43 3.38 -0.67 -3.12 115.31 118.04 3kkd h LEU 149 Ca 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3kkd h LEU 149 Cb 0.30 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3kkd h LEU 149 CO -0.00 0.98 0.39 -0.07 0.09 0.00 0.00 178.44 179.84 3kkd h LEU 150 N 0.89 1.08 -0.70 1.67 3.38 -0.50 -1.64 115.31 119.49 3kkd h LEU 150 Ca 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kkd h LEU 150 Cb 0.45 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3kkd h LEU 150 CO 0.02 0.91 0.39 0.00 0.09 0.00 0.00 178.44 179.84 3kkd h ALA 151 N 1.25 0.89 -0.02 1.53 0.00 -1.28 0.47 119.26 122.11 3kkd h ALA 151 Ca 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kkd h ALA 151 Cb 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kkd h ALA 151 CO -0.04 0.40 -0.08 1.49 0.00 0.00 0.00 179.25 181.03 3kkd h GLU 152 N 0.95 0.09 0.00 0.00 4.81 -1.49 -3.28 114.58 115.66 3kkd h GLU 152 Ca 0.25 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3kkd h GLU 152 Cb 0.03 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3kkd h GLU 152 CO -0.04 0.71 -0.08 0.37 -0.73 0.00 0.00 179.01 179.24 3kkd h GLN 153 N -0.52 0.00 0.00 1.92 5.75 -1.13 0.35 115.11 121.47 3kkd h GLN 153 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3kkd h GLN 153 Cb 0.73 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.28 3kkd h GLN 153 CO 0.02 0.08 0.00 0.00 -2.65 0.00 0.00 178.83 176.28 3kkd n ALA 154 N -2.48 1.62 -0.08 3.38 0.00 0.16 -0.18 120.51 122.94 3kkd n ALA 154 Ca -0.03 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.44 3kkd n ALA 154 Cb 0.16 -1.16 0.17 0.00 0.00 0.00 0.00 19.45 18.62 3kkd n ALA 154 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kkd n PHE 155 N -1.29 0.47 -0.32 0.00 3.01 0.11 -4.54 117.46 114.90 3kkd n PHE 155 Ca 0.05 -0.41 0.18 0.00 1.01 0.00 0.00 57.45 58.28 3kkd n PHE 155 Cb 0.08 -0.02 0.38 0.00 -0.01 0.00 0.00 39.48 39.91 3kkd n PHE 155 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 3kkd h ARG 156 N 2.53 0.32 0.06 -1.08 0.11 -0.61 -0.83 114.38 114.89 3kkd h ARG 156 Ca 0.00 -0.02 -0.36 0.00 0.10 0.00 0.00 59.98 59.70 3kkd h ARG 156 Cb 0.75 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.71 3kkd h ARG 156 CO 0.00 0.21 -2.12 0.94 0.10 0.00 0.00 179.97 179.11 3kkd n GLN 157 N -5.09 0.70 -0.21 0.08 0.00 -1.26 -4.23 117.38 107.38 3kkd n GLN 157 Ca 0.27 0.21 0.01 0.00 -0.00 0.00 0.00 57.00 57.49 3kkd n GLN 157 Cb 0.81 -1.65 0.12 0.00 0.00 0.00 0.00 30.24 29.52 3kkd n GLN 157 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 3kkd h GLU 158 N 0.03 0.21 0.00 3.69 4.57 -1.68 0.42 114.58 121.81 3kkd h GLU 158 Ca -0.45 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3kkd h GLU 158 Cb 2.02 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.56 3kkd h GLU 158 CO 0.03 0.14 0.00 0.00 -1.18 0.00 0.00 179.01 178.00 3kkd h ALA 159 N 1.52 1.00 0.00 2.92 0.00 -1.36 -0.43 119.26 122.91 3kkd h ALA 159 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3kkd h ALA 159 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3kkd h ALA 159 CO -0.45 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 178.73 3kkd h LEU 160 N 0.00 0.00 -2.45 0.00 3.38 -1.08 -3.06 115.31 112.11 3kkd h LEU 160 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kkd h LEU 160 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3kkd h LEU 160 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3kkd n LEU 161 N -2.85 3.62 -3.69 1.67 4.77 -0.17 -4.89 117.00 115.45 3kkd n LEU 161 Ca 0.03 -1.82 -0.11 0.00 -0.03 0.00 0.00 56.01 54.08 3kkd n LEU 161 Cb 0.39 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 3kkd n LEU 161 CO 0.29 0.80 -0.03 0.21 -1.33 0.00 0.00 177.39 177.33 3kkd s ASN 162 N -0.95 -0.24 0.22 -1.43 3.84 -1.24 -5.06 114.94 110.09 3kkd s ASN 162 Ca 0.43 0.77 0.00 0.00 0.21 0.00 0.00 52.86 54.27 3kkd s ASN 162 Cb 0.24 0.79 0.22 0.00 -0.55 0.00 0.00 41.25 41.95 3kkd s ASN 162 CO 0.26 -0.20 1.57 -0.65 -2.79 0.00 0.00 177.10 175.29 3kkd h PRO 163 N 7.58 0.46 0.00 0.43 0.11 -1.90 0.11 132.00 138.80 3kkd h PRO 163 Ca -0.29 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3kkd h PRO 163 Cb 1.15 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kkd h PRO 163 CO 0.25 0.85 0.00 0.54 -0.21 0.00 0.00 178.00 179.42 3kkd n ARG 164 N -3.98 0.00 -0.27 1.05 1.74 -1.26 -2.44 116.66 111.50 3kkd n ARG 164 Ca -0.02 0.71 0.22 0.00 -0.77 0.00 0.00 57.85 57.99 3kkd n ARG 164 Cb 0.56 -1.32 0.54 0.00 -1.02 0.00 0.00 32.46 31.22 3kkd n ARG 164 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3kkd h LEU 165 N 0.00 0.37 -0.47 0.55 3.38 -1.68 -3.09 115.31 114.38 3kkd h LEU 165 Ca 0.00 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3kkd h LEU 165 Cb 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3kkd h LEU 165 CO 0.00 0.12 0.05 0.03 0.09 0.00 0.00 178.44 178.73 3kkd h ARG 166 N 0.35 0.17 -0.53 1.13 3.08 -0.45 -1.31 114.38 116.82 3kkd h ARG 166 Ca 0.51 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.57 3kkd h ARG 166 Cb 1.38 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 3kkd h ARG 166 CO -0.19 0.11 0.32 0.93 -1.07 0.00 0.00 179.97 180.07 3kkd h GLU 167 N 0.17 0.62 -0.19 0.04 5.08 -1.58 -2.55 114.58 116.17 3kkd h GLU 167 Ca 0.23 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3kkd h GLU 167 Cb 0.32 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3kkd h GLU 167 CO -0.34 0.41 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.96 3kkd h LEU 168 N 0.64 0.27 -1.92 1.33 3.38 -1.55 -2.75 115.31 114.71 3kkd h LEU 168 Ca 0.21 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3kkd h LEU 168 Cb 0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3kkd h LEU 168 CO -0.08 0.36 -0.11 0.00 0.09 0.00 0.00 178.44 178.70 3kkd h ALA 169 N 1.68 1.24 0.00 1.53 0.00 -0.83 -2.78 119.26 120.09 3kkd h ALA 169 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kkd h ALA 169 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kkd h ALA 169 CO 0.01 0.13 -0.46 -3.47 0.00 0.00 0.00 179.25 175.46 3kkd n ASP 170 N -3.56 0.59 -0.02 0.00 2.03 -1.04 -4.48 116.55 110.07 3kkd n ASP 170 Ca -0.02 0.11 -0.11 0.00 0.52 0.00 0.00 54.79 55.29 3kkd n ASP 170 Cb 0.24 0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.60 3kkd n ASP 170 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kkd h ALA 171 N 2.69 0.15 0.44 -1.67 0.00 -1.54 -2.04 119.26 117.30 3kkd h ALA 171 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kkd h ALA 171 Cb 0.65 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3kkd h ALA 171 CO 0.00 -0.28 -0.32 1.25 0.00 0.00 0.00 179.25 179.89 3kkd h HIS 172 N 0.05 -0.86 -0.97 0.00 -0.00 -1.80 -1.03 115.15 110.53 3kkd h HIS 172 Ca 0.04 -0.00 0.19 0.00 -0.00 0.00 0.00 60.37 60.60 3kkd h HIS 172 Cb 0.13 0.32 -0.18 0.00 -0.00 0.00 0.00 27.41 27.68 3kkd h HIS 172 CO -0.03 -0.48 -0.26 0.37 -0.00 0.00 0.00 177.93 177.54 3kkd h GLN 173 N -0.75 -0.00 -0.73 5.26 -0.00 -1.85 0.14 115.11 117.18 3kkd h GLN 173 Ca -0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.55 3kkd h GLN 173 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.09 3kkd h GLN 173 CO 0.01 -0.00 0.23 -0.09 0.00 0.00 0.00 178.83 178.98 3kkd h ARG 174 N -0.00 1.13 0.03 1.69 2.43 -0.50 -0.44 114.38 118.72 3kkd h ARG 174 Ca 0.45 -0.24 -0.24 0.00 -0.81 0.00 0.00 59.98 59.15 3kkd h ARG 174 Cb 0.70 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3kkd h ARG 174 CO -1.00 0.96 -1.16 0.82 -1.51 0.00 0.00 179.97 178.08 3kkd h ILE 175 N 1.08 1.54 -0.10 1.20 1.08 -0.37 -1.84 117.51 120.10 3kkd h ILE 175 Ca 0.24 -3.24 0.01 0.00 -0.39 0.00 0.00 64.86 61.48 3kkd h ILE 175 Cb 0.30 2.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 3kkd h ILE 175 CO -0.01 0.90 0.02 -0.07 -0.69 0.00 0.00 178.15 178.30 3kkd h LEU 176 N 0.02 0.01 0.11 1.44 3.38 -0.84 -2.22 115.31 117.21 3kkd h LEU 176 Ca -0.08 0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.63 3kkd h LEU 176 Cb 1.85 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 3kkd h LEU 176 CO 0.14 0.02 -1.29 0.77 0.09 0.00 0.00 178.44 178.17 3kkd h SER 177 N 0.06 0.37 -0.54 -0.43 4.64 -1.02 0.16 113.55 116.78 3kkd h SER 177 Ca 0.04 -0.42 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 3kkd h SER 177 Cb 0.03 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3kkd h SER 177 CO -0.06 1.33 0.22 0.25 -0.87 0.00 0.00 176.83 177.71 3kkd h LEU 178 N 0.06 0.74 -1.06 5.97 5.85 -1.37 0.14 115.31 125.65 3kkd h LEU 178 Ca -0.15 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.43 3kkd h LEU 178 Cb 1.96 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.75 3kkd h LEU 178 CO 0.19 0.70 0.63 1.23 -0.34 0.00 0.00 178.44 180.85 3kkd h GLY 179 N 0.73 1.38 1.74 3.75 0.00 -1.30 -3.04 103.07 106.34 3kkd h GLY 179 Ca 0.18 -0.49 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 3kkd h GLY 179 CO -0.02 0.44 -0.67 0.00 0.00 0.00 0.00 176.54 176.30 3kkd h ALA 180 N 1.42 0.75 -0.25 3.60 0.00 0.07 -2.41 119.26 122.45 3kkd h ALA 180 Ca 0.37 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3kkd h ALA 180 Cb -0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3kkd h ALA 180 CO -0.10 0.77 -0.06 0.28 0.00 0.00 0.00 179.25 180.13 3kkd h VAL 181 N 0.18 0.75 -0.34 0.00 2.07 -0.72 -0.42 116.25 117.77 3kkd h VAL 181 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kkd h VAL 181 Cb 1.20 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3kkd h VAL 181 CO 0.10 0.00 0.22 -0.74 0.02 0.00 0.00 177.57 177.17 3kkd h HIS 182 N -0.01 0.44 -0.19 1.57 6.17 -1.41 0.90 115.15 122.63 3kkd h HIS 182 Ca 0.12 0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.25 3kkd h HIS 182 Cb 0.19 -0.15 -0.07 0.00 2.52 0.00 0.00 27.41 29.90 3kkd h HIS 182 CO -0.25 0.30 -0.41 0.35 0.71 0.00 0.00 177.93 178.62 3kkd h PHE 183 N 0.45 -1.18 -0.17 5.26 3.57 -0.99 -0.79 116.94 123.09 3kkd h PHE 183 Ca 0.12 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3kkd h PHE 183 Cb -0.02 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3kkd h PHE 183 CO -0.05 -0.46 -0.14 0.74 -2.23 0.00 0.00 178.31 176.17 3kkd h PHE 184 N -0.45 0.28 -0.51 0.41 0.04 -0.99 -0.28 116.94 115.44 3kkd h PHE 184 Ca 0.09 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 3kkd h PHE 184 Cb 0.61 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 3kkd h PHE 184 CO -0.51 0.41 0.21 0.37 -0.60 0.00 0.00 178.31 178.19 3kkd h GLN 185 N 0.25 0.76 -0.21 1.51 5.75 -0.14 -1.02 115.11 122.00 3kkd h GLN 185 Ca 0.05 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 3kkd h GLN 185 Cb 0.41 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 3kkd h GLN 185 CO 0.02 0.66 -0.16 0.28 -2.65 0.00 0.00 178.83 176.99 3kkd h VAL 186 N 0.68 1.32 -0.88 2.39 2.07 -0.64 -2.97 116.25 118.22 3kkd h VAL 186 Ca 0.17 -1.28 0.26 0.00 0.82 0.00 0.00 66.70 66.66 3kkd h VAL 186 Cb 0.18 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3kkd h VAL 186 CO -0.02 0.39 0.78 -0.07 0.02 0.00 0.00 177.57 178.68 3kkd h LEU 187 N 0.17 0.00 0.00 2.57 3.38 -0.99 -3.41 115.31 117.03 3kkd h LEU 187 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kkd h LEU 187 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3kkd h LEU 187 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3kkd n GLY 188 N -1.66 0.78 3.51 0.83 0.00 -1.04 -5.03 105.19 102.58 3kkd n GLY 188 Ca 0.19 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.69 3kkd n GLY 188 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kkd n SER 189 N 0.00 0.31 0.03 1.61 2.88 -0.42 -4.88 113.62 113.16 3kkd n SER 189 Ca 0.00 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.72 3kkd n SER 189 Cb 0.00 -1.07 0.42 0.00 -0.75 0.00 0.00 64.21 62.81 3kkd n SER 189 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3kkd h GLY 190 N 2.62 0.50 -5.95 0.46 0.00 -1.89 -3.36 103.07 95.45 3kkd h GLY 190 Ca -0.41 -0.21 -0.55 0.00 0.00 0.00 0.00 47.33 46.16 3kkd h GLY 190 CO 0.65 0.20 -0.96 -1.06 0.00 0.00 0.00 176.54 175.37 3kkd n GLN 191 N -4.44 1.50 -0.07 4.80 6.02 -1.26 -4.98 117.38 118.95 3kkd n GLN 191 Ca 0.02 -3.79 0.15 0.00 -0.01 0.00 0.00 57.00 53.37 3kkd n GLN 191 Cb 0.10 -1.69 0.56 0.00 1.02 0.00 0.00 30.24 30.23 3kkd n GLN 191 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3kkd h PRO 192 N 3.65 0.27 0.19 -1.09 0.13 -1.87 -1.12 132.00 132.15 3kkd h PRO 192 Ca 0.11 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 3kkd h PRO 192 Cb 0.81 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3kkd h PRO 192 CO 0.60 0.18 -0.09 0.93 -0.23 0.00 0.00 178.00 179.38 3kkd h GLU 193 N 0.27 -0.24 -0.52 0.86 3.07 -1.94 -0.51 114.58 115.57 3kkd h GLU 193 Ca 0.28 0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.09 3kkd h GLU 193 Cb 0.74 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 3kkd h GLU 193 CO -0.06 0.02 0.05 1.96 -1.40 0.00 0.00 179.01 179.58 3kkd h GLN 194 N -0.50 0.88 -0.45 2.33 7.50 -1.95 -1.79 115.11 121.12 3kkd h GLN 194 Ca -0.03 -0.25 0.03 0.00 0.50 0.00 0.00 58.65 58.91 3kkd h GLN 194 Cb 0.38 -0.09 -0.04 0.00 0.05 0.00 0.00 27.48 27.78 3kkd h GLN 194 CO 0.04 0.88 0.24 -0.44 -1.50 0.00 0.00 178.83 178.05 3kkd h ASP 195 N 0.75 0.35 -0.79 1.46 3.32 -1.20 -1.56 116.42 118.76 3kkd h ASP 195 Ca 0.15 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.28 3kkd h ASP 195 Cb 0.45 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 3kkd h ASP 195 CO 0.02 0.25 0.49 0.00 -1.72 0.00 0.00 179.24 178.27 3kkd h ALA 196 N 1.23 1.07 -0.39 3.45 0.00 -0.99 -0.33 119.26 123.31 3kkd h ALA 196 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3kkd h ALA 196 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kkd h ALA 196 CO -0.13 0.24 -0.04 0.87 0.00 0.00 0.00 179.25 180.19 3kkd h LYS 197 N 0.91 0.64 -0.32 0.00 1.79 -0.94 -1.26 116.57 117.39 3kkd h LYS 197 Ca 0.34 -0.17 -0.17 0.00 -2.18 0.00 0.00 60.65 58.47 3kkd h LYS 197 Cb 0.13 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3kkd h LYS 197 CO -0.16 0.69 -0.47 0.28 -1.08 0.00 0.00 179.45 178.72 3kkd h VAL 198 N 0.60 1.28 -0.33 0.50 2.07 -0.29 -1.95 116.25 118.13 3kkd h VAL 198 Ca 0.12 -1.65 -0.08 0.00 0.82 0.00 0.00 66.70 65.91 3kkd h VAL 198 Cb 0.44 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3kkd h VAL 198 CO 0.02 0.54 -0.09 0.25 0.02 0.00 0.00 177.57 178.31 3kkd h LEU 199 N 0.68 0.66 -0.32 2.57 5.85 -0.92 -1.79 115.31 122.04 3kkd h LEU 199 Ca 0.04 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.45 3kkd h LEU 199 Cb 1.06 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 3kkd h LEU 199 CO 0.11 0.88 -0.10 0.74 -0.34 0.00 0.00 178.44 179.72 3kkd h THR 200 N 0.43 0.64 -0.32 1.05 2.02 -1.20 0.62 112.91 116.15 3kkd h THR 200 Ca 0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.33 3kkd h THR 200 Cb 0.59 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 3kkd h THR 200 CO 0.04 0.00 -0.16 0.28 0.37 0.00 0.00 175.52 176.05 3kkd h SER 201 N -0.03 -0.52 -0.32 4.18 0.02 -1.18 0.15 113.55 115.84 3kkd h SER 201 Ca 0.16 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.27 3kkd h SER 201 Cb 0.27 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 3kkd h SER 201 CO -0.35 -0.19 0.08 0.40 -1.14 0.00 0.00 176.83 175.63 3kkd h ILE 202 N -0.11 0.87 -0.49 3.27 2.04 -0.91 -2.30 117.51 119.87 3kkd h ILE 202 Ca 0.16 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.83 3kkd h ILE 202 Cb 0.36 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3kkd h ILE 202 CO -0.39 0.04 -0.17 0.40 0.00 0.00 0.00 178.15 178.03 3kkd h ILE 203 N 0.20 1.27 -0.26 -0.67 1.08 -0.36 -2.61 117.51 116.16 3kkd h ILE 203 Ca 0.15 -1.32 -0.10 0.00 -0.39 0.00 0.00 64.86 63.20 3kkd h ILE 203 Cb 0.15 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3kkd h ILE 203 CO -0.18 0.46 -0.25 -0.07 -0.69 0.00 0.00 178.15 177.42 3kkd h LEU 204 N 0.85 0.51 -2.09 1.44 3.38 -0.87 -0.17 115.31 118.36 3kkd h LEU 204 Ca 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kkd h LEU 204 Cb 0.73 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kkd h LEU 204 CO 0.06 0.75 0.00 1.67 0.09 0.00 0.00 178.44 181.01 3kkd n GLN 205 N -4.12 0.52 0.00 1.13 -0.06 -0.88 -1.78 117.38 112.19 3kkd n GLN 205 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3kkd n GLN 205 Cb 0.41 -1.24 0.00 0.00 -4.06 0.00 0.00 30.24 25.35 3kkd n GLN 205 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 3kkd n GLU 207 N 0.80 0.00 -0.13 3.69 1.02 -0.08 -1.46 120.64 124.48 3kkd n GLU 207 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 3kkd n GLU 207 Cb 0.26 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.70 3kkd n GLU 207 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3kkd h TYR 208 N 0.00 0.40 -0.37 -0.32 3.20 -1.61 -1.18 116.97 117.09 3kkd h TYR 208 Ca 0.00 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 3kkd h TYR 208 Cb 0.00 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3kkd h TYR 208 CO 0.00 0.21 -0.22 1.96 -1.64 0.00 0.00 178.16 178.48 3kkd h GLN 209 N 0.44 0.81 -0.84 1.82 1.08 -1.52 -1.96 115.11 114.93 3kkd h GLN 209 Ca 0.17 -0.37 0.07 0.00 -1.45 0.00 0.00 58.65 57.07 3kkd h GLN 209 Cb 0.06 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 3kkd h GLN 209 CO -0.11 1.00 0.55 0.78 -0.95 0.00 0.00 178.83 180.10 3kkd h GLY 210 N 0.61 1.19 1.24 3.46 0.00 -1.79 -0.04 103.07 107.74 3kkd h GLY 210 Ca 0.08 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 3kkd h GLY 210 CO 0.06 0.26 -0.16 1.41 0.00 0.00 0.00 176.54 178.12 3kkd h LEU 211 N 0.91 0.89 0.06 3.11 3.38 -0.75 0.30 115.31 123.21 3kkd h LEU 211 Ca 0.37 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3kkd h LEU 211 Cb 0.25 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kkd h LEU 211 CO -0.14 1.04 -0.45 0.58 0.09 0.00 0.00 178.44 179.56 3kkd h VAL 212 N 0.78 1.60 0.00 1.22 2.07 -1.12 -3.37 116.25 117.43 3kkd h VAL 212 Ca 0.12 -2.41 -0.17 0.00 0.82 0.00 0.00 66.70 65.06 3kkd h VAL 212 Cb 0.69 3.21 -0.03 0.00 -1.52 0.00 0.00 31.29 33.64 3kkd h VAL 212 CO 0.05 0.63 -1.20 0.44 0.02 0.00 0.00 177.57 177.51 3kkd h ASP 213 N -0.74 0.00 -4.10 0.57 3.32 -1.10 -3.51 116.42 110.86 3kkd h ASP 213 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3kkd h ASP 213 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3kkd h ASP 213 CO 0.04 0.64 0.00 0.61 -1.72 0.00 0.00 179.24 178.81 3kkd n GLY 214 N 1.37 -1.92 3.17 2.75 0.00 0.11 -4.99 105.19 105.67 3kkd n GLY 214 Ca -0.07 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 3kkd n GLY 214 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kkd s VAL 215 N -2.63 1.62 0.00 1.61 -7.23 -1.26 -4.76 120.40 107.75 3kkd s VAL 215 Ca 0.00 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 3kkd s VAL 215 Cb 0.00 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.55 3kkd s VAL 215 CO 0.00 0.46 0.00 -0.62 -0.31 0.00 0.00 175.10 174.63 3kkd n GLU 216 N 3.18 1.89 -0.15 4.82 1.02 -1.26 -5.03 120.64 125.12 3kkd n GLU 216 Ca -0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.86 3kkd n GLU 216 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.94 3kkd n GLU 216 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3kkd h GLN 217 N 0.00 0.71 -0.84 3.49 5.75 -1.99 -2.22 115.11 120.00 3kkd h GLN 217 Ca 0.00 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 3kkd h GLN 217 Cb 0.00 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 3kkd h GLN 217 CO 0.00 0.76 0.44 1.25 -2.65 0.00 0.00 178.83 178.64 3kkd h LEU 218 N 0.56 1.06 -0.22 -2.39 5.85 -1.99 0.67 115.31 118.84 3kkd h LEU 218 Ca 0.12 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 3kkd h LEU 218 Cb 0.41 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3kkd h LEU 218 CO 0.01 0.86 -0.29 0.00 -0.34 0.00 0.00 178.44 178.68 3kkd h ALA 219 N 1.31 0.33 -0.90 1.25 0.00 -1.89 -0.73 119.26 118.63 3kkd h ALA 219 Ca 0.29 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3kkd h ALA 219 Cb 0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3kkd h ALA 219 CO -0.04 0.34 0.58 0.28 0.00 0.00 0.00 179.25 180.40 3kkd h VAL 220 N 0.27 1.09 -0.32 0.00 2.07 -1.15 -2.46 116.25 115.76 3kkd h VAL 220 Ca 0.02 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 3kkd h VAL 220 Cb 0.87 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3kkd h VAL 220 CO 0.07 0.20 -0.43 0.44 0.02 0.00 0.00 177.57 177.87 3kkd h ASP 221 N 1.08 0.86 0.00 0.57 3.32 -0.49 -0.11 116.42 121.64 3kkd h ASP 221 Ca 0.38 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3kkd h ASP 221 Cb 0.10 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3kkd h ASP 221 CO -0.15 1.16 0.00 1.21 -1.72 0.00 0.00 179.24 179.74 3kkd n GLU 222 N -4.03 0.00 0.00 3.56 2.13 -0.31 -1.07 120.64 120.92 3kkd n GLU 222 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3kkd n GLU 222 Cb 0.56 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.99 3kkd n GLU 222 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kkd n ARG 224 N 0.77 0.00 -0.23 5.31 1.74 -0.05 -1.73 116.66 122.48 3kkd n ARG 224 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 3kkd n ARG 224 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 3kkd n ARG 224 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kkd h ALA 225 N 0.00 0.82 -0.17 7.54 0.00 -1.37 0.16 119.26 126.24 3kkd h ALA 225 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3kkd h ALA 225 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kkd h ALA 225 CO 0.00 0.40 -0.12 0.82 0.00 0.00 0.00 179.25 180.35 3kkd h ILE 226 N 0.88 1.32 0.02 0.00 2.04 -1.61 -1.67 117.51 118.50 3kkd h ILE 226 Ca 0.22 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 3kkd h ILE 226 Cb 0.14 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3kkd h ILE 226 CO -0.02 0.36 -0.01 -0.07 0.00 0.00 0.00 178.15 178.41 3kkd h LEU 227 N 0.05 -0.02 -0.93 1.44 3.38 -1.79 -2.91 115.31 114.54 3kkd h LEU 227 Ca 0.03 -0.12 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3kkd h LEU 227 Cb 0.62 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 3kkd h LEU 227 CO 0.03 0.10 0.56 -0.09 0.09 0.00 0.00 178.44 179.14 3kkd h ARG 228 N -0.15 0.88 -0.32 1.13 2.43 -0.64 -0.34 114.38 117.36 3kkd h ARG 228 Ca -0.00 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3kkd h ARG 228 Cb 0.14 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3kkd h ARG 228 CO 0.00 0.58 0.08 -0.09 -1.51 0.00 0.00 179.97 179.04 3kkd h ARG 229 N 0.90 0.20 -0.22 0.20 9.65 -1.15 0.31 114.38 124.27 3kkd h ARG 229 Ca 0.45 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 59.17 3kkd h ARG 229 Cb 0.43 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 3kkd h ARG 229 CO -0.26 0.13 -0.45 -0.92 2.80 0.00 0.00 179.97 181.27 3kkd h TYR 230 N 0.20 0.88 -0.57 2.20 3.20 -1.23 -2.64 116.97 119.01 3kkd h TYR 230 Ca 0.15 -0.32 -0.09 0.00 3.14 0.00 0.00 58.73 61.60 3kkd h TYR 230 Cb 0.15 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3kkd h TYR 230 CO -0.16 1.10 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.37 3kkd h LEU 231 N 0.41 0.98 -0.38 2.82 3.38 -0.73 -2.10 115.31 119.69 3kkd h LEU 231 Ca 0.01 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.78 3kkd h LEU 231 Cb 1.06 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 3kkd h LEU 231 CO 0.10 1.04 -0.10 0.78 0.09 0.00 0.00 178.44 180.35 3kkd h ASN 232 N 0.92 -0.37 -0.55 -0.43 2.35 -0.41 -2.78 115.58 114.30 3kkd h ASN 232 Ca 0.16 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3kkd h ASN 232 Cb 0.55 0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 3kkd h ASN 232 CO 0.03 -0.13 0.34 -0.07 -1.65 0.00 0.00 177.43 175.95 3kkd h LEU 233 N -0.01 0.65 -1.80 1.61 3.38 -1.07 -0.01 115.31 118.06 3kkd h LEU 233 Ca 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kkd h LEU 233 Cb 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kkd h LEU 233 CO -0.40 0.51 0.00 0.52 0.09 0.00 0.00 178.44 179.16 3kkd n VAL 234 N -4.67 0.00 -1.74 1.22 0.31 -0.83 -4.34 118.33 108.28 3kkd n VAL 234 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3kkd n VAL 234 Cb 0.05 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 3kkd n VAL 234 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kkd n GLY 236 N 0.83 -0.22 0.85 2.92 0.00 -0.56 -4.88 105.19 104.13 3kkd n GLY 236 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3kkd n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36