#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 n ARG 2 N 0.00 -5.25 -0.76 0.00 0.63 -1.26 -4.64 116.66 105.39 3kc4 n ARG 2 Ca 0.00 0.62 0.07 0.00 -0.92 0.00 0.00 57.85 57.62 3kc4 n ARG 2 Cb 0.00 -4.98 -0.04 0.00 0.45 0.00 0.00 32.46 27.89 3kc4 n ARG 2 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3kc4 n ILE 3 N -3.70 -0.69 -3.77 5.15 2.08 -1.26 -5.07 119.36 112.10 3kc4 n ILE 3 Ca -0.13 0.55 -0.13 0.00 0.56 0.00 0.00 62.75 63.60 3kc4 n ILE 3 Cb 0.59 -0.84 -0.09 0.00 -0.75 0.00 0.00 39.64 38.56 3kc4 n ILE 3 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kc4 s ALA 4 N -3.88 -0.71 0.00 -1.39 0.00 -1.26 -5.17 121.76 109.35 3kc4 s ALA 4 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3kc4 s ALA 4 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3kc4 s ALA 4 CO 0.00 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3kc4 n GLY 5 N 1.17 2.93 0.00 0.00 0.00 -1.26 -5.11 105.19 102.91 3kc4 n GLY 5 Ca -0.21 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3kc4 n GLY 5 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kc4 n ILE 6 N 0.00 0.00 -3.21 -0.61 -5.35 -1.26 -5.11 119.36 103.83 3kc4 n ILE 6 Ca 0.00 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.37 3kc4 n ILE 6 Cb 0.00 0.18 0.05 0.00 -1.74 0.00 0.00 39.64 38.14 3kc4 n ILE 6 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3kc4 n ASN 7 N 0.00 -6.93 -4.86 7.28 4.13 -1.26 -5.06 115.26 108.56 3kc4 n ASN 7 Ca 0.00 -0.55 -0.21 0.00 1.68 0.00 0.00 54.58 55.50 3kc4 n ASN 7 Cb 0.00 -5.20 -0.03 0.00 -1.54 0.00 0.00 39.78 33.00 3kc4 n ASN 7 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3kc4 s ILE 8 N -3.29 3.82 0.65 2.41 -4.36 -1.26 -5.05 121.20 114.12 3kc4 s ILE 8 Ca 0.34 -1.34 -0.14 0.00 -0.26 0.00 0.00 60.65 59.25 3kc4 s ILE 8 Cb -0.05 -3.27 -0.01 0.00 1.25 0.00 0.00 42.46 40.39 3kc4 s ILE 8 CO 0.75 -0.21 1.07 -2.16 0.24 0.00 0.00 174.94 174.62 3kc4 s PRO 9 N -3.98 3.03 0.14 0.37 0.04 -1.26 -5.05 135.00 128.29 3kc4 s PRO 9 Ca 0.39 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3kc4 s PRO 9 Cb -0.07 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3kc4 s PRO 9 CO 0.27 -1.04 0.01 -0.51 0.04 0.00 0.00 177.00 175.77 3kc4 s ASP 10 N -3.07 0.78 0.00 6.66 1.11 -1.26 -4.81 116.67 116.08 3kc4 s ASP 10 Ca 0.62 -1.15 0.00 0.00 0.18 0.00 0.00 52.55 52.20 3kc4 s ASP 10 Cb -0.16 0.19 0.00 0.00 1.07 0.00 0.00 42.92 44.02 3kc4 s ASP 10 CO 0.44 -0.62 0.00 1.41 1.18 0.00 0.00 175.17 177.58 3kc4 n HIS 11 N -0.13 0.00 -4.24 4.23 8.25 -1.26 -5.03 115.22 117.05 3kc4 n HIS 11 Ca -0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 3kc4 n HIS 11 Cb 0.63 -0.34 -0.10 0.00 1.12 0.00 0.00 29.99 31.30 3kc4 n HIS 11 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3kc4 s LYS 12 N -1.44 1.13 0.79 -0.41 -2.85 -1.26 -4.32 119.74 111.38 3kc4 s LYS 12 Ca 0.00 -1.56 -0.15 0.00 -1.00 0.00 0.00 55.97 53.26 3kc4 s LYS 12 Cb 0.00 -0.17 -0.00 0.00 -2.06 0.00 0.00 37.83 35.59 3kc4 s LYS 12 CO 0.00 -0.18 0.62 0.72 0.10 0.00 0.00 175.35 176.61 3kc4 n HIS 13 N -0.25 -0.58 0.13 1.78 8.25 -1.26 -0.00 115.22 123.29 3kc4 n HIS 13 Ca -0.05 0.33 0.01 0.00 -0.26 0.00 0.00 57.72 57.76 3kc4 n HIS 13 Cb 0.64 -1.92 0.01 0.00 1.12 0.00 0.00 29.99 29.84 3kc4 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kc4 h ALA 14 N -0.71 0.64 0.07 -1.41 0.00 -1.56 -3.35 119.26 112.94 3kc4 h ALA 14 Ca -0.45 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 53.95 3kc4 h ALA 14 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kc4 h ALA 14 CO 0.41 0.69 -0.03 -0.39 0.00 0.00 0.00 179.25 179.93 3kc4 h VAL 15 N 0.00 1.04 -0.26 0.00 -1.51 -1.89 -0.65 116.25 112.98 3kc4 h VAL 15 Ca -0.01 -0.37 0.03 0.00 -1.23 0.00 0.00 66.70 65.12 3kc4 h VAL 15 Cb 1.42 1.28 -0.04 0.00 -2.13 0.00 0.00 31.29 31.83 3kc4 h VAL 15 CO 0.07 0.09 -0.20 -0.29 -1.23 0.00 0.00 177.57 176.02 3kc4 h ILE 16 N -0.26 0.00 -0.78 7.19 6.09 -1.96 0.14 117.51 127.93 3kc4 h ILE 16 Ca -0.01 0.00 0.12 0.00 -1.37 0.00 0.00 64.86 63.60 3kc4 h ILE 16 Cb 0.22 0.00 -0.05 0.00 0.47 0.00 0.00 36.82 37.46 3kc4 h ILE 16 CO 0.02 0.00 0.51 0.00 -3.07 0.00 0.00 178.15 175.61 3kc4 h ALA 17 N -0.63 1.92 -0.29 0.18 0.00 -1.64 0.28 119.26 119.09 3kc4 h ALA 17 Ca 0.04 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3kc4 h ALA 17 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kc4 h ALA 17 CO -0.28 -0.11 -0.20 -0.07 0.00 0.00 0.00 179.25 178.59 3kc4 h LEU 18 N 0.58 0.53 -1.58 0.00 4.07 -0.62 -0.99 115.31 117.29 3kc4 h LEU 18 Ca 0.38 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.17 3kc4 h LEU 18 Cb 0.65 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.25 3kc4 h LEU 18 CO -0.14 0.74 0.00 0.71 -1.08 0.00 0.00 178.44 178.67 3kc4 h THR 19 N 0.47 0.00 -0.05 0.22 1.35 0.24 -2.75 112.91 112.39 3kc4 h THR 19 Ca 0.08 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3kc4 h THR 19 Cb 0.62 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3kc4 h THR 19 CO 0.04 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.11 3kc4 n SER 20 N -2.66 1.70 -3.58 5.36 7.64 -0.91 -1.94 113.62 119.23 3kc4 n SER 20 Ca -0.00 -1.44 -0.34 0.00 1.01 0.00 0.00 58.87 58.09 3kc4 n SER 20 Cb 0.17 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 3kc4 n SER 20 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3kc4 n ILE 21 N 0.18 4.04 -1.08 0.44 -5.35 -0.42 -4.62 119.36 112.56 3kc4 n ILE 21 Ca 0.04 -5.64 -0.37 0.00 -0.27 0.00 0.00 62.75 56.51 3kc4 n ILE 21 Cb 0.18 -1.91 0.03 0.00 -1.74 0.00 0.00 39.64 36.21 3kc4 n ILE 21 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3kc4 n TYR 22 N 0.70 -4.50 0.00 4.28 4.02 -0.82 -3.46 117.16 117.38 3kc4 n TYR 22 Ca 0.31 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 58.32 3kc4 n TYR 22 Cb 0.36 -1.51 0.00 0.00 -0.02 0.00 0.00 39.34 38.17 3kc4 n TYR 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kc4 n GLY 23 N 3.18 3.42 3.24 2.72 0.00 -1.26 -4.18 105.19 112.31 3kc4 n GLY 23 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 3kc4 n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kc4 s VAL 24 N -2.70 1.27 0.00 1.61 -7.23 -1.22 -5.04 120.40 107.09 3kc4 s VAL 24 Ca 0.00 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 3kc4 s VAL 24 Cb 0.00 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.37 3kc4 s VAL 24 CO 0.00 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 3kc4 n GLY 25 N 0.40 4.27 0.40 2.32 0.00 -1.26 -3.69 105.19 107.63 3kc4 n GLY 25 Ca -0.14 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 3kc4 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kc4 h LYS 26 N 0.00 -0.96 0.67 1.61 1.79 -1.92 0.40 116.57 118.16 3kc4 h LYS 26 Ca 0.00 0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 3kc4 h LYS 26 Cb 0.00 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 3kc4 h LYS 26 CO 0.00 -0.64 -0.50 1.15 -1.08 0.00 0.00 179.45 178.38 3kc4 h THR 27 N -1.00 0.00 -0.65 -0.16 2.02 -1.98 -0.88 112.91 110.26 3kc4 h THR 27 Ca -0.10 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.24 3kc4 h THR 27 Cb 0.77 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3kc4 h THR 27 CO 0.17 0.00 0.45 0.03 0.37 0.00 0.00 175.52 176.54 3kc4 h ARG 28 N -1.12 0.17 0.00 6.66 2.47 -1.99 -2.90 114.38 117.67 3kc4 h ARG 28 Ca -0.09 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3kc4 h ARG 28 Cb 0.93 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 3kc4 h ARG 28 CO 0.03 0.11 0.00 0.45 0.56 0.00 0.00 179.97 181.12 3kc4 n SER 29 N -4.41 0.00 0.18 7.04 2.88 0.14 -2.98 113.62 116.47 3kc4 n SER 29 Ca 0.12 0.37 0.16 0.00 -1.33 0.00 0.00 58.87 58.19 3kc4 n SER 29 Cb 0.61 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.67 3kc4 n SER 29 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3kc4 h LYS 30 N 0.00 0.00 -0.37 -1.46 2.10 -1.26 0.16 116.57 115.75 3kc4 h LYS 30 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 3kc4 h LYS 30 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3kc4 h LYS 30 CO 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 179.45 177.13 3kc4 h ALA 31 N 1.05 0.53 -0.39 0.07 0.00 -1.57 -3.11 119.26 115.84 3kc4 h ALA 31 Ca 0.13 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3kc4 h ALA 31 Cb 1.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kc4 h ALA 31 CO -0.00 0.58 0.02 0.82 0.00 0.00 0.00 179.25 180.67 3kc4 h ILE 32 N 0.66 1.26 -0.79 0.00 2.04 -0.60 -3.40 117.51 116.67 3kc4 h ILE 32 Ca 0.06 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.99 3kc4 h ILE 32 Cb 0.90 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 3kc4 h ILE 32 CO 0.08 0.33 0.52 -0.07 0.00 0.00 0.00 178.15 179.01 3kc4 h LEU 33 N 0.51 0.83 -0.43 1.44 3.38 -1.31 -2.90 115.31 116.82 3kc4 h LEU 33 Ca 0.11 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3kc4 h LEU 33 Cb 0.45 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3kc4 h LEU 33 CO 0.02 0.57 0.17 0.00 0.09 0.00 0.00 178.44 179.28 3kc4 h ALA 34 N 1.54 0.52 -0.73 1.53 0.00 -1.73 -2.06 119.26 118.33 3kc4 h ALA 34 Ca 0.32 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.42 3kc4 h ALA 34 Cb 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 3kc4 h ALA 34 CO -0.10 -0.21 -0.14 0.00 0.00 0.00 0.00 179.25 178.81 3kc4 h ALA 35 N 1.26 0.55 -0.49 0.00 0.00 -1.82 -1.32 119.26 117.44 3kc4 h ALA 35 Ca 0.20 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3kc4 h ALA 35 Cb 0.16 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kc4 h ALA 35 CO -0.18 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.65 3kc4 n ALA 36 N -3.14 2.42 -0.95 0.00 0.00 -1.11 -4.99 120.51 112.75 3kc4 n ALA 36 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3kc4 n ALA 36 Cb 0.39 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3kc4 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc4 n GLY 37 N 1.37 0.47 0.55 0.00 0.00 -0.50 -4.81 105.19 102.27 3kc4 n GLY 37 Ca 0.18 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 3kc4 n GLY 37 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kc4 n ILE 38 N -2.95 0.00 -3.90 -0.61 -5.35 -1.22 -4.95 119.36 100.39 3kc4 n ILE 38 Ca 0.00 -0.38 -0.11 0.00 -0.27 0.00 0.00 62.75 61.99 3kc4 n ILE 38 Cb 0.00 0.11 -0.01 0.00 -1.74 0.00 0.00 39.64 38.00 3kc4 n ILE 38 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kc4 n ALA 39 N -2.72 -0.83 0.25 -1.28 0.00 -1.14 -4.20 120.51 110.59 3kc4 n ALA 39 Ca -0.03 -1.36 0.08 0.00 0.00 0.00 0.00 53.44 52.13 3kc4 n ALA 39 Cb 0.10 1.09 0.62 0.00 0.00 0.00 0.00 19.45 21.26 3kc4 n ALA 39 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kc4 h GLU 40 N 0.00 0.00 -0.00 0.00 4.11 -1.96 -2.49 114.58 114.24 3kc4 h GLU 40 Ca -0.27 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3kc4 h GLU 40 Cb 1.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3kc4 h GLU 40 CO 0.36 0.03 -0.07 -0.25 0.07 0.00 0.00 179.01 179.14 3kc4 n ASP 41 N -4.51 0.23 -4.17 3.06 10.43 -1.26 -4.80 116.55 115.53 3kc4 n ASP 41 Ca -0.03 -0.61 -0.12 0.00 2.57 0.00 0.00 54.79 56.60 3kc4 n ASP 41 Cb 0.11 0.87 -0.10 0.00 1.84 0.00 0.00 41.12 43.84 3kc4 n ASP 41 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3kc4 s VAL 42 N -1.04 0.75 0.44 2.53 -7.23 -1.23 -4.99 120.40 109.64 3kc4 s VAL 42 Ca 0.01 -1.83 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 3kc4 s VAL 42 Cb 0.01 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.40 3kc4 s VAL 42 CO 0.07 -0.78 0.61 -0.54 -0.31 0.00 0.00 175.10 174.15 3kc4 s LYS 43 N -3.50 2.82 0.56 4.82 1.02 -1.26 -2.89 119.74 121.32 3kc4 s LYS 43 Ca 0.10 -1.02 0.28 0.00 0.02 0.00 0.00 55.97 55.35 3kc4 s LYS 43 Cb 0.03 -2.68 1.68 0.00 -0.52 0.00 0.00 37.83 36.34 3kc4 s LYS 43 CO -0.03 -0.33 2.19 0.82 -0.92 0.00 0.00 175.35 177.08 3kc4 h ILE 44 N 0.51 0.56 -0.79 2.17 2.04 -0.67 -2.65 117.51 118.68 3kc4 h ILE 44 Ca -0.42 -0.19 0.21 0.00 1.00 0.00 0.00 64.86 65.46 3kc4 h ILE 44 Cb 1.28 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 3kc4 h ILE 44 CO 0.49 0.04 0.55 0.28 0.00 0.00 0.00 178.15 179.52 3kc4 h SER 45 N 0.00 0.13 0.42 1.72 0.02 -1.80 -3.01 113.55 111.02 3kc4 h SER 45 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3kc4 h SER 45 Cb 0.12 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3kc4 h SER 45 CO 0.01 0.05 -0.83 -0.62 -1.14 0.00 0.00 176.83 174.30 3kc4 n GLU 46 N -4.37 0.16 -0.41 3.45 -0.58 -1.00 -5.02 120.64 112.88 3kc4 n GLU 46 Ca 0.16 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.62 3kc4 n GLU 46 Cb 0.77 -1.56 0.26 0.00 -0.57 0.00 0.00 31.44 30.35 3kc4 n GLU 46 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3kc4 n LEU 47 N -1.76 -1.45 -4.20 -4.62 7.94 -1.14 -5.07 117.00 106.69 3kc4 n LEU 47 Ca 0.03 -0.43 -0.12 0.00 -1.11 0.00 0.00 56.01 54.39 3kc4 n LEU 47 Cb 0.39 -1.11 -0.10 0.00 0.53 0.00 0.00 43.42 43.13 3kc4 n LEU 47 CO 0.39 -3.75 -0.32 -0.44 -1.11 0.00 0.00 177.39 172.16 3kc4 s SER 48 N -2.52 0.85 -0.16 1.96 0.01 -1.26 -5.08 113.70 107.50 3kc4 s SER 48 Ca 0.65 -1.19 0.16 0.00 1.31 0.00 0.00 55.95 56.89 3kc4 s SER 48 Cb -0.19 0.19 0.67 0.00 0.21 0.00 0.00 66.02 66.89 3kc4 s SER 48 CO 0.61 -0.63 1.58 -0.62 0.41 0.00 0.00 173.24 174.59 3kc4 n GLU 49 N -0.18 3.82 -0.09 12.44 -0.58 -1.26 -2.56 120.64 132.23 3kc4 n GLU 49 Ca -0.06 -2.89 -0.12 0.00 -0.42 0.00 0.00 57.16 53.66 3kc4 n GLU 49 Cb 0.63 -1.94 -0.04 0.00 -0.57 0.00 0.00 31.44 29.52 3kc4 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kc4 n GLY 50 N 0.49 -0.49 0.39 0.62 0.00 -1.26 -4.54 105.19 100.40 3kc4 n GLY 50 Ca 0.24 -0.28 0.18 0.00 0.00 0.00 0.00 46.02 46.17 3kc4 n GLY 50 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kc4 h GLN 51 N -0.94 0.33 -0.92 1.61 4.20 -1.89 -0.78 115.11 116.72 3kc4 h GLN 51 Ca -0.13 -0.02 0.25 0.00 0.06 0.00 0.00 58.65 58.81 3kc4 h GLN 51 Cb 1.06 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.72 3kc4 h GLN 51 CO -0.08 0.22 0.64 0.97 -0.67 0.00 0.00 178.83 179.92 3kc4 h ILE 52 N 0.34 0.57 0.26 2.54 2.10 -1.73 -0.37 117.51 121.23 3kc4 h ILE 52 Ca 0.40 -0.05 -0.01 0.00 1.08 0.00 0.00 64.86 66.28 3kc4 h ILE 52 Cb 1.05 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.20 3kc4 h ILE 52 CO -0.12 0.03 -0.13 0.44 -1.08 0.00 0.00 178.15 177.29 3kc4 h ASP 53 N 0.14 -0.30 0.60 2.19 5.19 -1.40 -2.80 116.42 120.04 3kc4 h ASP 53 Ca 0.46 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.75 3kc4 h ASP 53 Cb 1.58 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 41.17 3kc4 h ASP 53 CO -0.08 0.19 -0.06 0.00 -3.12 0.00 0.00 179.24 176.17 3kc4 h THR 54 N -1.04 0.24 0.18 0.35 1.03 -1.57 -1.45 112.91 110.64 3kc4 h THR 54 Ca -0.04 -0.49 -0.01 0.00 -0.01 0.00 0.00 66.41 65.87 3kc4 h THR 54 Cb 0.39 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 3kc4 h THR 54 CO 0.06 0.06 -0.10 0.25 -0.01 0.00 0.00 175.52 175.78 3kc4 h LEU 55 N 0.00 -0.24 -1.22 0.00 5.85 -1.12 -2.25 115.31 116.33 3kc4 h LEU 55 Ca -0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3kc4 h LEU 55 Cb 0.38 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3kc4 h LEU 55 CO 0.01 -0.16 0.33 0.03 -0.34 0.00 0.00 178.44 178.31 3kc4 h ARG 56 N -0.25 0.87 -0.72 1.25 3.08 -1.11 -1.57 114.38 115.93 3kc4 h ARG 56 Ca -0.02 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 60.01 3kc4 h ARG 56 Cb 0.20 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 3kc4 h ARG 56 CO 0.03 0.65 0.38 -0.44 -1.07 0.00 0.00 179.97 179.52 3kc4 h ASP 57 N 0.87 0.52 0.71 7.04 3.32 -1.35 -0.20 116.42 127.34 3kc4 h ASP 57 Ca 0.22 0.05 -0.23 0.00 0.02 0.00 0.00 57.03 57.09 3kc4 h ASP 57 Cb 0.05 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3kc4 h ASP 57 CO -0.03 0.31 -1.03 -0.33 -1.72 0.00 0.00 179.24 176.43 3kc4 h GLU 58 N 0.66 0.17 0.00 3.56 5.08 -0.68 -3.19 114.58 120.17 3kc4 h GLU 58 Ca 0.35 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kc4 h GLU 58 Cb 0.32 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3kc4 h GLU 58 CO -0.24 1.06 -0.04 0.28 -1.00 0.00 0.00 179.01 179.06 3kc4 h VAL 59 N 0.07 0.00 0.00 3.13 2.07 -1.10 -3.34 116.25 117.08 3kc4 h VAL 59 Ca -0.07 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3kc4 h VAL 59 Cb 1.73 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 3kc4 h VAL 59 CO 0.16 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.75 3kc4 n ALA 60 N -1.96 2.09 0.52 1.67 0.00 -0.11 -3.52 120.51 119.21 3kc4 n ALA 60 Ca 0.05 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.46 3kc4 n ALA 60 Cb 0.48 -1.31 0.22 0.00 0.00 0.00 0.00 19.45 18.84 3kc4 n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kc4 n LYS 61 N -1.16 2.09 -4.12 0.00 5.02 -1.25 -4.93 118.16 113.80 3kc4 n LYS 61 Ca 0.11 -1.69 -0.09 0.00 -2.02 0.00 0.00 58.31 54.62 3kc4 n LYS 61 Cb 0.11 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 3kc4 n LYS 61 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3kc4 s PHE 62 N -1.39 0.71 -0.08 2.13 0.08 -1.23 -5.15 117.98 113.04 3kc4 s PHE 62 Ca 0.32 -0.93 -0.09 0.00 0.12 0.00 0.00 56.93 56.36 3kc4 s PHE 62 Cb 0.17 -0.44 -0.04 0.00 -0.57 0.00 0.00 43.02 42.13 3kc4 s PHE 62 CO 0.22 -0.23 0.21 0.08 -0.10 0.00 0.00 175.22 175.39 3kc4 s VAL 63 N -3.47 5.39 0.33 -0.44 1.01 -1.26 -5.07 120.40 116.89 3kc4 s VAL 63 Ca 0.07 0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 3kc4 s VAL 63 Cb 0.04 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.96 3kc4 s VAL 63 CO -0.06 0.59 0.58 0.68 0.00 0.00 0.00 175.10 176.89 3kc4 s VAL 64 N -1.06 0.00 0.00 2.92 -7.23 -1.26 -4.57 120.40 109.20 3kc4 s VAL 64 Ca 0.18 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3kc4 s VAL 64 Cb -0.13 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.22 3kc4 s VAL 64 CO 0.07 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.24 3kc4 n GLU 65 N -0.51 0.00 -0.33 4.82 1.02 -1.26 -2.39 120.64 122.00 3kc4 n GLU 65 Ca -0.03 0.00 0.25 0.00 -0.02 0.00 0.00 57.16 57.36 3kc4 n GLU 65 Cb 0.61 0.00 0.48 0.00 -0.02 0.00 0.00 31.44 32.51 3kc4 n GLU 65 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kc4 h GLY 66 N 0.00 1.92 1.00 0.62 0.00 -1.97 -0.49 103.07 104.15 3kc4 h GLY 66 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3kc4 h GLY 66 CO 0.00 -0.65 -0.00 -0.55 0.00 0.00 0.00 176.54 175.33 3kc4 h ASP 67 N 0.07 -0.01 0.26 0.19 5.19 -2.01 -2.00 116.42 118.12 3kc4 h ASP 67 Ca 0.75 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 57.15 3kc4 h ASP 67 Cb 1.82 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.34 3kc4 h ASP 67 CO -0.77 -0.00 -0.13 0.25 -3.12 0.00 0.00 179.24 175.46 3kc4 h LEU 68 N -0.01 -0.32 -1.60 1.55 5.85 -0.74 -2.03 115.31 118.02 3kc4 h LEU 68 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3kc4 h LEU 68 Cb 0.01 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3kc4 h LEU 68 CO 0.00 -0.22 0.33 0.03 -0.34 0.00 0.00 178.44 178.24 3kc4 h ARG 69 N -0.36 0.00 0.03 1.25 2.47 -0.98 -1.86 114.38 114.91 3kc4 h ARG 69 Ca -0.03 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3kc4 h ARG 69 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3kc4 h ARG 69 CO 0.05 0.00 -0.01 0.00 0.56 0.00 0.00 179.97 180.57 3kc4 h ARG 70 N 0.00 -0.03 -0.57 0.04 3.08 -0.63 -3.27 114.38 113.00 3kc4 h ARG 70 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3kc4 h ARG 70 Cb 0.66 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 3kc4 h ARG 70 CO 0.00 -0.02 -0.32 0.39 -1.07 0.00 0.00 179.97 178.95 3kc4 n GLU 71 N -2.97 -0.23 -0.17 0.04 1.02 -0.94 -0.82 120.64 116.58 3kc4 n GLU 71 Ca -0.00 0.86 -0.03 0.00 -0.02 0.00 0.00 57.16 57.97 3kc4 n GLU 71 Cb 0.01 -1.27 0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3kc4 n GLU 71 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kc4 h ILE 72 N 0.00 0.39 0.00 -3.67 1.08 -1.54 -2.76 117.51 111.01 3kc4 h ILE 72 Ca 0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 3kc4 h ILE 72 Cb 0.25 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 34.39 3kc4 h ILE 72 CO -0.54 0.00 -0.08 0.28 -0.69 0.00 0.00 178.15 177.12 3kc4 h SER 73 N -0.06 0.00 0.58 1.72 0.02 -1.03 -0.86 113.55 113.92 3kc4 h SER 73 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3kc4 h SER 73 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3kc4 h SER 73 CO -0.56 0.08 0.00 0.24 -1.14 0.00 0.00 176.83 175.45 3kc4 h MET 74 N 0.00 0.00 0.00 3.45 2.86 -1.35 -2.82 114.93 117.07 3kc4 h MET 74 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3kc4 h MET 74 Cb 0.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3kc4 h MET 74 CO 0.01 0.00 -1.81 0.43 1.06 0.00 0.00 176.91 176.60 3kc4 n SER 75 N -3.07 1.44 0.23 1.22 7.64 -0.34 -2.47 113.62 118.27 3kc4 n SER 75 Ca -0.01 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.97 3kc4 n SER 75 Cb 0.20 1.40 0.50 0.00 -1.01 0.00 0.00 64.21 65.31 3kc4 n SER 75 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3kc4 h ILE 76 N 0.00 0.56 0.00 0.44 2.04 -1.46 -3.27 117.51 115.81 3kc4 h ILE 76 Ca -0.14 -1.04 -0.33 0.00 1.00 0.00 0.00 64.86 64.34 3kc4 h ILE 76 Cb 1.14 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.86 3kc4 h ILE 76 CO 0.01 0.21 -2.31 1.17 0.00 0.00 0.00 178.15 177.23 3kc4 n LYS 77 N -3.43 0.68 -0.16 2.37 3.00 -1.07 -3.21 118.16 116.34 3kc4 n LYS 77 Ca -0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.26 3kc4 n LYS 77 Cb 0.40 -1.54 -0.04 0.00 0.00 0.00 0.00 35.03 33.85 3kc4 n LYS 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3kc4 n ARG 78 N -2.73 -0.17 -0.33 1.64 0.63 -1.03 -1.07 116.66 113.59 3kc4 n ARG 78 Ca -0.30 1.16 0.12 0.00 -0.92 0.00 0.00 57.85 57.91 3kc4 n ARG 78 Cb 1.10 -1.72 0.33 0.00 0.45 0.00 0.00 32.46 32.63 3kc4 n ARG 78 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3kc4 h LEU 79 N 0.00 0.76 0.00 6.15 3.38 -1.60 0.15 115.31 124.15 3kc4 h LEU 79 Ca 0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kc4 h LEU 79 Cb 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kc4 h LEU 79 CO -0.37 0.33 -0.18 0.24 0.09 0.00 0.00 178.44 178.56 3kc4 h MET 80 N 0.77 0.00 -0.06 1.13 2.86 -1.47 -2.05 114.93 116.11 3kc4 h MET 80 Ca 0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 3kc4 h MET 80 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.45 3kc4 h MET 80 CO -0.30 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.42 3kc4 n ASP 81 N -2.67 2.58 -0.01 1.22 9.92 -0.10 -3.85 116.55 123.64 3kc4 n ASP 81 Ca 0.04 -1.85 0.10 0.00 -0.53 0.00 0.00 54.79 52.55 3kc4 n ASP 81 Cb 0.49 -0.02 -0.15 0.00 -0.64 0.00 0.00 41.12 40.80 3kc4 n ASP 81 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3kc4 n LEU 82 N 1.01 0.38 -0.62 0.64 4.77 0.32 -4.95 117.00 118.54 3kc4 n LEU 82 Ca 0.16 -0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 55.88 3kc4 n LEU 82 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 3kc4 n LEU 82 CO 0.15 0.09 -0.07 0.61 -1.33 0.00 0.00 177.39 176.85 3kc4 n GLY 83 N 1.36 0.54 3.71 -0.72 0.00 -1.04 -4.99 105.19 104.05 3kc4 n GLY 83 Ca -0.01 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 3kc4 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kc4 h TYR 85 N -1.06 -1.49 -0.76 0.00 3.20 -1.94 -0.08 116.97 114.84 3kc4 h TYR 85 Ca -0.45 0.07 0.11 0.00 3.14 0.00 0.00 58.73 61.59 3kc4 h TYR 85 Cb 1.28 0.68 -0.05 0.00 1.54 0.00 0.00 36.73 40.18 3kc4 h TYR 85 CO 0.50 -0.50 0.50 0.00 -1.64 0.00 0.00 178.16 177.02 3kc4 h ARG 86 N -0.47 0.61 0.00 1.82 3.08 -1.91 0.20 114.38 117.72 3kc4 h ARG 86 Ca 0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kc4 h ARG 86 Cb 0.63 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3kc4 h ARG 86 CO -0.50 0.40 0.00 0.41 -1.07 0.00 0.00 179.97 179.22 3kc4 n GLY 87 N -1.47 -1.73 0.30 0.04 0.00 -0.94 -1.53 105.19 99.85 3kc4 n GLY 87 Ca 0.13 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.44 3kc4 n GLY 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kc4 n LEU 88 N 0.00 0.27 0.25 0.99 4.77 -0.08 -0.20 117.00 122.99 3kc4 n LEU 88 Ca 0.00 1.35 0.11 0.00 -0.03 0.00 0.00 56.01 57.44 3kc4 n LEU 88 Cb 0.00 -0.66 0.72 0.00 -2.33 0.00 0.00 43.42 41.15 3kc4 n LEU 88 CO 0.00 -1.51 1.10 0.03 -1.33 0.00 0.00 177.39 175.68 3kc4 h ARG 89 N 0.00 0.00 0.00 3.23 2.47 -0.49 0.49 114.38 120.08 3kc4 h ARG 89 Ca 0.72 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.44 3kc4 h ARG 89 Cb 2.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.33 3kc4 h ARG 89 CO -0.59 0.00 0.00 0.45 0.56 0.00 0.00 179.97 180.39 3kc4 h HIS 90 N 0.00 0.00 0.00 3.04 3.86 0.49 0.20 115.15 122.74 3kc4 h HIS 90 Ca 0.02 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 3kc4 h HIS 90 Cb 0.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 3kc4 h HIS 90 CO 0.00 0.00 -2.05 0.54 0.86 0.00 0.00 177.93 177.28 3kc4 n ARG 91 N -2.84 0.76 0.10 2.45 1.74 -0.37 -3.66 116.66 114.83 3kc4 n ARG 91 Ca 0.03 -0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.06 3kc4 n ARG 91 Cb 0.44 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.40 3kc4 n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kc4 h ARG 92 N 0.00 0.00 -5.14 5.56 3.08 -0.13 -3.49 114.38 114.26 3kc4 h ARG 92 Ca -0.20 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.62 3kc4 h ARG 92 Cb 1.40 0.00 0.17 0.00 0.08 0.00 0.00 29.97 31.62 3kc4 h ARG 92 CO 0.01 0.21 -0.74 0.41 -1.07 0.00 0.00 179.97 178.79 3kc4 n GLY 93 N 1.26 -0.82 3.19 0.04 0.00 0.60 -4.98 105.19 104.47 3kc4 n GLY 93 Ca -0.03 0.42 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 3kc4 n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kc4 s LEU 94 N -5.17 1.21 -0.04 0.99 1.43 -0.52 -3.96 118.68 112.62 3kc4 s LEU 94 Ca 0.35 -0.21 -0.34 0.00 -1.03 0.00 0.00 54.13 52.90 3kc4 s LEU 94 Cb -0.05 1.04 -0.12 0.00 0.03 0.00 0.00 46.19 47.10 3kc4 s LEU 94 CO 0.64 -0.51 1.87 -2.65 0.23 0.00 0.00 176.35 175.93 3kc4 n PRO 95 N 0.92 2.28 0.22 1.29 -0.02 -1.26 -4.66 135.00 133.77 3kc4 n PRO 95 Ca -0.20 0.84 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 3kc4 n PRO 95 Cb 0.58 -2.69 0.41 0.00 -0.02 0.00 0.00 33.50 31.77 3kc4 n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kc4 h VAL 96 N 5.29 0.50 -0.60 -1.45 2.07 -1.90 -2.48 116.25 117.68 3kc4 h VAL 96 Ca -0.48 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 65.86 3kc4 h VAL 96 Cb 1.26 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 3kc4 h VAL 96 CO 0.94 0.22 0.40 0.03 0.02 0.00 0.00 177.57 179.18 3kc4 h ARG 97 N 0.00 0.79 0.00 1.57 2.47 -1.90 -3.47 114.38 113.83 3kc4 h ARG 97 Ca -0.00 -0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.72 3kc4 h ARG 97 Cb 0.82 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 3kc4 h ARG 97 CO 0.03 0.52 -0.07 0.41 0.56 0.00 0.00 179.97 181.42 3kc4 n GLY 98 N -1.26 -2.08 3.15 0.04 0.00 -0.93 -4.92 105.19 99.20 3kc4 n GLY 98 Ca 0.04 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3kc4 n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kc4 n GLN 99 N -1.24 0.00 -3.44 1.61 1.13 -1.26 -4.42 117.38 109.76 3kc4 n GLN 99 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 3kc4 n GLN 99 Cb 0.09 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.38 3kc4 n GLN 99 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3kc4 s ARG 100 N 0.00 2.82 0.25 -1.09 3.52 -1.26 -4.89 118.95 118.30 3kc4 s ARG 100 Ca 0.00 -1.88 0.24 0.00 -0.13 0.00 0.00 55.73 53.96 3kc4 s ARG 100 Cb 0.00 -4.12 0.29 0.00 -1.56 0.00 0.00 34.95 29.56 3kc4 s ARG 100 CO 0.00 -1.26 1.37 1.79 -0.81 0.00 0.00 175.30 176.39 3kc4 h THR 101 N 5.82 0.00 -4.48 4.11 1.35 -1.83 -3.40 112.91 114.49 3kc4 h THR 101 Ca -0.19 -0.80 -0.38 0.00 -0.55 0.00 0.00 66.41 64.49 3kc4 h THR 101 Cb 1.07 1.52 0.10 0.00 -1.73 0.00 0.00 68.15 69.12 3kc4 h THR 101 CO 0.91 0.00 0.21 2.29 -0.25 0.00 0.00 175.52 178.67 3kc4 n LYS 102 N -2.59 -0.47 -0.69 4.72 2.85 -1.26 -4.13 118.16 116.59 3kc4 n LYS 102 Ca 0.03 -2.04 -0.25 0.00 -1.05 0.00 0.00 58.31 54.99 3kc4 n LYS 102 Cb 0.50 -0.81 0.03 0.00 -0.65 0.00 0.00 35.03 34.09 3kc4 n LYS 102 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3kc4 n THR 103 N -3.02 0.00 -1.38 0.58 -2.24 -1.26 -4.47 114.28 102.49 3kc4 n THR 103 Ca 0.14 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3kc4 n THR 103 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3kc4 n THR 103 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kc4 n ASN 104 N 2.41 -1.41 -2.76 3.42 3.02 -1.26 -4.99 115.26 113.69 3kc4 n ASN 104 Ca -0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.50 3kc4 n ASN 104 Cb 0.40 -0.35 0.04 0.00 -0.61 0.00 0.00 39.78 39.26 3kc4 n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kc4 n ALA 105 N -0.74 2.94 -0.51 5.41 0.00 -1.26 -4.69 120.51 121.66 3kc4 n ALA 105 Ca 0.00 -2.92 0.05 0.00 0.00 0.00 0.00 53.44 50.58 3kc4 n ALA 105 Cb 0.35 -0.90 0.11 0.00 0.00 0.00 0.00 19.45 19.02 3kc4 n ALA 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kc4 n ARG 106 N -0.39 2.45 -1.40 0.00 5.12 -1.26 -1.25 116.66 119.92 3kc4 n ARG 106 Ca 0.08 -2.14 0.01 0.00 -1.93 0.00 0.00 57.85 53.88 3kc4 n ARG 106 Cb 0.81 -1.33 0.09 0.00 -1.16 0.00 0.00 32.46 30.87 3kc4 n ARG 106 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3kc4 n THR 107 N -0.60 1.23 0.00 0.55 -2.24 -1.26 -4.56 114.28 107.40 3kc4 n THR 107 Ca 0.10 -2.41 0.00 0.00 -2.27 0.00 0.00 64.05 59.47 3kc4 n THR 107 Cb 0.50 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3kc4 n THR 107 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kc4 n ARG 108 N -0.35 2.64 0.00 -0.78 5.12 -1.14 -4.95 116.66 117.19 3kc4 n ARG 108 Ca 0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 3kc4 n ARG 108 Cb 0.92 -0.64 0.00 0.00 -1.16 0.00 0.00 32.46 31.58 3kc4 n ARG 108 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3kc4 n LYS 109 N -0.67 0.00 0.00 5.56 2.85 -0.38 -4.47 118.16 121.05 3kc4 n LYS 109 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3kc4 n LYS 109 Cb 0.07 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.45 3kc4 n LYS 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kc4 n GLY 110 N 0.00 1.44 3.51 2.58 0.00 -0.98 -5.00 105.19 106.75 3kc4 n GLY 110 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 3kc4 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kc4 n PRO 111 N 2.99 -3.21 -1.22 1.61 -0.04 -1.26 -4.72 135.00 129.15 3kc4 n PRO 111 Ca 0.00 -1.75 -0.48 0.00 -0.04 0.00 0.00 63.50 61.23 3kc4 n PRO 111 Cb 0.00 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.74 3kc4 n PRO 111 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kc4 n ARG 112 N -4.89 0.00 0.00 0.54 1.74 -1.26 -5.12 116.66 107.67 3kc4 n ARG 112 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3kc4 n ARG 112 Cb 0.59 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 3kc4 n ARG 112 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74