#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kd4 n ALA 24 N 0.00 -0.10 0.57 0.00 0.00 -1.26 -3.51 120.51 116.21 3kd4 n ALA 24 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3kd4 n ALA 24 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 3kd4 n ALA 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kd4 n SER 25 N -1.57 2.40 0.05 0.00 3.41 -1.26 -3.53 113.62 113.12 3kd4 n SER 25 Ca 0.00 -2.21 -0.04 0.00 -0.26 0.00 0.00 58.87 56.36 3kd4 n SER 25 Cb 0.00 -0.40 -0.09 0.00 -0.26 0.00 0.00 64.21 63.46 3kd4 n SER 25 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kd4 h GLU 26 N 1.80 0.00 -2.93 4.33 4.39 -1.97 -3.46 114.58 116.75 3kd4 h GLU 26 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3kd4 h GLU 26 Cb 0.79 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.30 3kd4 h GLU 26 CO 0.11 0.64 0.09 0.00 -1.16 0.00 0.00 179.01 178.70 3kd4 s ALA 27 N -2.77 -1.38 -0.10 3.43 0.00 -1.23 -0.51 121.76 119.19 3kd4 s ALA 27 Ca -0.01 0.48 -0.08 0.00 0.00 0.00 0.00 51.96 52.36 3kd4 s ALA 27 Cb 0.09 0.61 0.03 0.00 0.00 0.00 0.00 23.12 23.86 3kd4 s ALA 27 CO 0.81 -0.63 0.26 -2.00 0.00 0.00 0.00 175.76 174.20 3kd4 s GLU 28 N -3.14 0.27 -0.51 0.00 2.12 -0.45 -4.28 118.70 112.72 3kd4 s GLU 28 Ca -0.02 0.45 -0.25 0.00 0.36 0.00 0.00 54.97 55.51 3kd4 s GLU 28 Cb -0.00 0.04 0.03 0.00 0.26 0.00 0.00 34.13 34.46 3kd4 s GLU 28 CO -0.07 -0.09 0.95 0.71 -0.54 0.00 0.00 175.26 176.21 3kd4 s TYR 29 N 0.63 2.84 0.16 5.30 2.02 0.26 -0.63 117.35 127.92 3kd4 s TYR 29 Ca -0.04 0.19 -0.12 0.00 -0.37 0.00 0.00 57.07 56.73 3kd4 s TYR 29 Cb -0.05 -4.05 0.03 0.00 -0.40 0.00 0.00 41.96 37.49 3kd4 s TYR 29 CO -0.04 -1.25 1.64 0.78 -1.57 0.00 0.00 175.55 175.11 3kd4 h GLY 30 N 10.85 0.94 -5.40 0.71 0.00 -1.45 0.98 103.07 109.71 3kd4 h GLY 30 Ca -0.25 -0.64 -0.19 0.00 0.00 0.00 0.00 47.33 46.25 3kd4 h GLY 30 CO 1.07 0.60 -0.55 0.54 0.00 0.00 0.00 176.54 178.19 3kd4 s LYS 31 N -5.16 0.18 -0.03 4.80 1.02 -1.20 -2.85 119.74 116.50 3kd4 s LYS 31 Ca -0.13 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.05 3kd4 s LYS 31 Cb 0.12 0.09 -0.00 0.00 -0.52 0.00 0.00 37.83 37.52 3kd4 s LYS 31 CO 0.81 -0.03 -0.13 0.08 -0.92 0.00 0.00 175.35 175.17 3kd4 s VAL 32 N -0.04 1.12 -0.04 3.17 1.01 0.28 -0.77 120.40 125.13 3kd4 s VAL 32 Ca -0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3kd4 s VAL 32 Cb -0.01 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.42 3kd4 s VAL 32 CO 0.00 0.33 0.01 -0.55 0.00 0.00 0.00 175.10 174.90 3kd4 s SER 33 N 0.11 0.84 -0.04 3.32 0.15 -0.05 -0.74 113.70 117.29 3kd4 s SER 33 Ca -0.03 -0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.63 3kd4 s SER 33 Cb -0.10 -0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 63.94 3kd4 s SER 33 CO 0.01 -0.15 -0.16 -0.54 1.20 0.00 0.00 173.24 173.61 3kd4 s LYS 34 N 1.44 1.66 -0.04 5.44 1.02 -0.01 -0.66 119.74 128.58 3kd4 s LYS 34 Ca -0.04 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.41 3kd4 s LYS 34 Cb -0.13 -1.44 0.02 0.00 -0.52 0.00 0.00 37.83 35.76 3kd4 s LYS 34 CO -0.03 0.21 -0.02 0.00 -0.92 0.00 0.00 175.35 174.59 3kd4 s ALA 35 N 0.11 0.54 -0.06 5.17 0.00 -0.14 -1.41 121.76 125.98 3kd4 s ALA 35 Ca -0.05 0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.96 3kd4 s ALA 35 Cb -0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3kd4 s ALA 35 CO 0.02 -0.12 -0.13 -1.58 0.00 0.00 0.00 175.76 173.95 3kd4 s TRP 36 N 1.14 2.74 -0.05 0.00 0.51 -0.00 -1.01 118.94 122.27 3kd4 s TRP 36 Ca -0.08 -0.20 0.02 0.00 -2.12 0.00 0.00 56.10 53.72 3kd4 s TRP 36 Cb -0.14 -1.66 0.01 0.00 -0.81 0.00 0.00 33.47 30.87 3kd4 s TRP 36 CO -0.01 0.15 -0.09 0.99 -0.51 0.00 0.00 176.95 177.48 3kd4 s THR 37 N -0.60 0.83 -0.16 2.01 2.01 -0.03 -0.56 115.64 119.14 3kd4 s THR 37 Ca 0.09 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 3kd4 s THR 37 Cb -0.11 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 3kd4 s THR 37 CO 0.01 0.28 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.98 3kd4 s LEU 38 N 0.60 3.30 0.26 4.42 2.96 0.34 -1.18 118.68 129.39 3kd4 s LEU 38 Ca -0.10 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3kd4 s LEU 38 Cb -0.13 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3kd4 s LEU 38 CO 0.02 0.16 0.41 -1.00 -1.32 0.00 0.00 176.35 174.62 3kd4 s HIS 39 N 0.44 3.47 0.50 5.38 3.76 -0.13 -3.89 115.29 124.83 3kd4 s HIS 39 Ca -0.03 0.14 0.23 0.00 -0.15 0.00 0.00 55.06 55.25 3kd4 s HIS 39 Cb -0.14 -1.70 1.31 0.00 1.11 0.00 0.00 32.58 33.15 3kd4 s HIS 39 CO 0.03 0.34 1.98 0.00 -0.85 0.00 0.00 174.74 176.24 3kd4 h ALA 40 N 1.20 2.40 -0.01 -1.40 0.00 -2.00 -0.15 119.26 119.30 3kd4 h ALA 40 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kd4 h ALA 40 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kd4 h ALA 40 CO 0.62 -0.57 0.00 -0.40 0.00 0.00 0.00 179.25 178.91 3kd4 n ASP 41 N -4.40 0.45 0.00 0.00 5.68 -1.26 -4.89 116.55 112.13 3kd4 n ASP 41 Ca 0.11 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 3kd4 n ASP 41 Cb 0.59 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 3kd4 n ASP 41 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kd4 n GLY 42 N 1.02 0.91 3.74 6.12 0.00 -0.07 -4.64 105.19 112.27 3kd4 n GLY 42 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3kd4 n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kd4 s SER 43 N -2.68 4.29 0.09 1.61 1.04 -1.26 -4.54 113.70 112.25 3kd4 s SER 43 Ca 0.00 2.04 0.02 0.00 0.48 0.00 0.00 55.95 58.49 3kd4 s SER 43 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 3kd4 s SER 43 CO 0.00 -2.18 -0.06 -1.10 0.98 0.00 0.00 173.24 170.87 3kd4 s GLN 44 N -4.46 0.76 -0.01 4.02 -0.21 -0.26 -0.95 119.66 118.55 3kd4 s GLN 44 Ca 0.66 -1.23 0.03 0.00 0.02 0.00 0.00 55.36 54.84 3kd4 s GLN 44 Cb -0.21 -0.19 -0.00 0.00 1.00 0.00 0.00 33.01 33.60 3kd4 s GLN 44 CO 0.51 -0.01 -0.10 -2.00 -2.12 0.00 0.00 175.29 171.56 3kd4 s GLU 45 N -3.45 0.90 -0.16 2.91 2.12 -0.32 -0.75 118.70 119.94 3kd4 s GLU 45 Ca 0.08 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.07 3kd4 s GLU 45 Cb 0.03 -0.85 0.01 0.00 0.26 0.00 0.00 34.13 33.58 3kd4 s GLU 45 CO -0.04 0.19 -0.20 -0.47 -0.54 0.00 0.00 175.26 174.20 3kd4 s TYR 46 N -0.11 2.73 -0.11 5.30 5.04 -0.07 -0.85 117.35 129.26 3kd4 s TYR 46 Ca 0.02 -1.41 0.03 0.00 -2.44 0.00 0.00 57.07 53.27 3kd4 s TYR 46 Cb -0.05 -1.87 0.01 0.00 0.35 0.00 0.00 41.96 40.40 3kd4 s TYR 46 CO -0.00 -0.67 -0.21 0.50 -1.34 0.00 0.00 175.55 173.84 3kd4 s ARG 47 N 0.99 2.77 -0.12 4.97 3.52 -0.18 -0.27 118.95 130.63 3kd4 s ARG 47 Ca -0.02 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 3kd4 s ARG 47 Cb -0.15 -2.19 0.02 0.00 -1.56 0.00 0.00 34.95 31.08 3kd4 s ARG 47 CO -0.06 0.06 -0.11 0.45 -0.81 0.00 0.00 175.30 174.83 3kd4 s SER 48 N 0.64 2.36 0.41 -2.12 0.15 0.72 -0.96 113.70 114.91 3kd4 s SER 48 Ca -0.13 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.18 3kd4 s SER 48 Cb -0.16 -1.00 -0.04 0.00 -1.71 0.00 0.00 66.02 63.11 3kd4 s SER 48 CO 0.03 -0.07 0.05 -0.94 1.20 0.00 0.00 173.24 173.52 3kd4 s SER 49 N 1.45 3.24 -0.24 5.45 1.04 0.17 -1.16 113.70 123.64 3kd4 s SER 49 Ca 0.02 -1.53 -0.10 0.00 0.48 0.00 0.00 55.95 54.82 3kd4 s SER 49 Cb -0.13 0.18 0.10 0.00 0.10 0.00 0.00 66.02 66.26 3kd4 s SER 49 CO -0.07 -0.73 0.55 -1.61 0.98 0.00 0.00 173.24 172.35 3kd4 s GLU 51 N -3.80 0.49 -0.15 4.02 2.02 0.05 -0.87 118.70 120.46 3kd4 s GLU 51 Ca 0.25 1.19 -0.01 0.00 0.02 0.00 0.00 54.97 56.41 3kd4 s GLU 51 Cb 0.05 0.45 0.04 0.00 0.10 0.00 0.00 34.13 34.77 3kd4 s GLU 51 CO 0.12 -0.20 -0.01 -1.17 0.02 0.00 0.00 175.26 174.02 3kd4 s LEU 52 N 2.38 1.19 -0.14 1.80 2.96 -0.22 -1.22 118.68 125.43 3kd4 s LEU 52 Ca -0.06 -0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 53.17 3kd4 s LEU 52 Cb -0.10 -0.68 -0.05 0.00 0.50 0.00 0.00 46.19 45.86 3kd4 s LEU 52 CO -0.16 -0.22 0.32 -0.89 -1.32 0.00 0.00 176.35 174.07 3kd4 s THR 53 N 1.80 5.28 -0.21 3.68 2.01 0.19 -0.09 115.64 128.30 3kd4 s THR 53 Ca 0.01 0.61 -0.05 0.00 0.31 0.00 0.00 61.69 62.57 3kd4 s THR 53 Cb -0.15 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 3kd4 s THR 53 CO -0.07 0.41 0.01 -0.76 -0.69 0.00 0.00 174.62 173.51 3kd4 s LEU 54 N 0.29 3.27 -0.01 4.42 1.43 -0.72 -1.34 118.68 126.02 3kd4 s LEU 54 Ca 0.18 -0.21 0.18 0.00 -1.03 0.00 0.00 54.13 53.25 3kd4 s LEU 54 Cb -0.13 -1.83 -0.23 0.00 0.03 0.00 0.00 46.19 44.03 3kd4 s LEU 54 CO 0.05 0.05 0.63 0.49 0.23 0.00 0.00 176.35 177.80 3kd4 n PHE 55 N 4.34 0.00 -4.25 0.29 3.72 0.33 -0.51 117.46 121.37 3kd4 n PHE 55 Ca -0.17 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.08 3kd4 n PHE 55 Cb 0.52 -0.15 -0.10 0.00 -0.94 0.00 0.00 39.48 38.80 3kd4 n PHE 55 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kd4 s THR 56 N -2.89 1.20 0.45 4.37 -4.23 -1.24 -4.45 115.64 108.85 3kd4 s THR 56 Ca 0.02 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.64 3kd4 s THR 56 Cb 0.13 -1.79 0.29 0.00 1.34 0.00 0.00 72.50 72.47 3kd4 s THR 56 CO 0.74 -0.69 2.06 0.45 -0.54 0.00 0.00 174.62 176.64 3kd4 h HIS 57 N 2.91 0.34 -0.23 3.99 3.86 -1.95 -2.70 115.15 121.37 3kd4 h HIS 57 Ca -0.37 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 58.88 3kd4 h HIS 57 Cb 1.19 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 3kd4 h HIS 57 CO 0.65 0.20 0.04 1.15 0.86 0.00 0.00 177.93 180.83 3kd4 h THR 58 N 0.36 0.89 0.00 2.45 2.02 -1.97 0.32 112.91 116.98 3kd4 h THR 58 Ca 0.14 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3kd4 h THR 58 Cb 0.13 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3kd4 h THR 58 CO -0.03 0.02 0.00 0.00 0.37 0.00 0.00 175.52 175.88 3kd4 n ALA 59 N -2.31 1.18 0.00 6.16 0.00 -1.02 -2.38 120.51 122.15 3kd4 n ALA 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3kd4 n ALA 59 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3kd4 n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kd4 n ASN 61 N 0.58 0.00 -2.51 0.00 3.02 0.10 -4.25 115.26 112.20 3kd4 n ASN 61 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 3kd4 n ASN 61 Cb 0.02 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 3kd4 n ASN 61 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kd4 n SER 62 N 0.00 0.13 0.00 6.41 3.41 -1.00 -4.90 113.62 117.66 3kd4 n SER 62 Ca 0.00 -1.17 0.07 0.00 -0.26 0.00 0.00 58.87 57.51 3kd4 n SER 62 Cb 0.00 -0.21 0.33 0.00 -0.26 0.00 0.00 64.21 64.07 3kd4 n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kd4 n THR 63 N -2.20 0.69 0.26 6.66 -2.24 -1.26 -1.37 114.28 114.82 3kd4 n THR 63 Ca 0.04 0.17 0.17 0.00 -2.27 0.00 0.00 64.05 62.16 3kd4 n THR 63 Cb 0.14 -0.95 0.89 0.00 -2.10 0.00 0.00 70.33 68.31 3kd4 n THR 63 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3kd4 h TYR 64 N 0.00 0.00 0.00 4.78 0.05 -1.92 -1.34 116.97 118.53 3kd4 h TYR 64 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3kd4 h TYR 64 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 3kd4 h TYR 64 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 3kd4 n GLY 65 N -1.08 -0.98 3.20 3.88 0.00 -0.47 -4.77 105.19 104.96 3kd4 n GLY 65 Ca -0.02 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3kd4 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kd4 s GLU 66 N -3.16 0.92 0.09 1.61 8.01 -0.51 -0.93 118.70 124.73 3kd4 s GLU 66 Ca 0.04 -1.34 0.08 0.00 0.01 0.00 0.00 54.97 53.77 3kd4 s GLU 66 Cb 0.07 -0.44 -0.04 0.00 -4.31 0.00 0.00 34.13 29.42 3kd4 s GLU 66 CO 0.25 0.04 -0.19 -1.12 0.01 0.00 0.00 175.26 174.25 3kd4 s SER 67 N -2.95 3.80 -0.12 -0.19 0.01 -0.24 -4.96 113.70 109.05 3kd4 s SER 67 Ca 0.12 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.87 3kd4 s SER 67 Cb 0.02 -0.55 0.02 0.00 0.21 0.00 0.00 66.02 65.73 3kd4 s SER 67 CO -0.02 0.21 -0.13 -0.36 0.41 0.00 0.00 173.24 173.35 3kd4 s PHE 68 N -1.04 1.93 -0.20 2.43 0.08 -1.26 -0.55 117.98 119.37 3kd4 s PHE 68 Ca 0.16 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 56.22 3kd4 s PHE 68 Cb -0.10 -1.44 0.05 0.00 -0.57 0.00 0.00 43.02 40.95 3kd4 s PHE 68 CO 0.08 -0.56 -0.06 0.42 -0.10 0.00 0.00 175.22 175.00 3kd4 s ILE 69 N 1.33 1.32 -0.11 0.64 1.01 -1.26 -5.02 121.20 119.11 3kd4 s ILE 69 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 3kd4 s ILE 69 Cb -0.14 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 3kd4 s ILE 69 CO -0.07 0.05 0.27 -0.69 0.00 0.00 0.00 174.94 174.50 3kd4 s VAL 70 N 1.52 5.30 0.23 2.92 1.01 -1.26 -4.20 120.40 125.92 3kd4 s VAL 70 Ca -0.02 0.50 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 3kd4 s VAL 70 Cb -0.17 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.67 3kd4 s VAL 70 CO -0.07 0.52 0.58 -0.72 0.00 0.00 0.00 175.10 175.40 3kd4 s TYR 71 N -0.43 -0.09 -0.40 5.22 1.13 0.40 -4.99 117.35 118.18 3kd4 s TYR 71 Ca 0.17 -0.28 -0.06 0.00 -1.41 0.00 0.00 57.07 55.50 3kd4 s TYR 71 Cb -0.14 0.47 0.09 0.00 -1.10 0.00 0.00 41.96 41.28 3kd4 s TYR 71 CO 0.06 -1.02 0.20 1.21 -2.51 0.00 0.00 175.55 173.49 3kd4 s ASN 72 N -2.90 5.38 0.08 -0.18 3.84 -1.26 -1.47 114.94 118.43 3kd4 s ASN 72 Ca 0.11 -1.66 0.15 0.00 0.21 0.00 0.00 52.86 51.67 3kd4 s ASN 72 Cb -0.02 -1.89 0.66 0.00 -0.55 0.00 0.00 41.25 39.44 3kd4 s ASN 72 CO 0.01 -0.50 1.48 -0.81 -2.79 0.00 0.00 177.10 174.49 3kd4 n PRO 73 N 4.76 0.05 0.25 0.43 -0.04 -1.26 0.07 135.00 139.26 3kd4 n PRO 73 Ca -0.08 0.34 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 3kd4 n PRO 73 Cb 0.42 -1.61 0.66 0.00 -0.04 0.00 0.00 33.50 32.93 3kd4 n PRO 73 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kd4 h ASP 74 N 0.00 0.00 0.00 3.54 3.32 -1.93 -3.33 116.42 118.01 3kd4 h ASP 74 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kd4 h ASP 74 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3kd4 h ASP 74 CO 0.00 0.11 0.00 0.49 -1.72 0.00 0.00 179.24 178.12 3kd4 n PHE 75 N -4.07 0.00 -4.38 4.55 3.01 -0.66 -5.05 117.46 110.86 3kd4 n PHE 75 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.20 3kd4 n PHE 75 Cb 0.19 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.53 3kd4 n PHE 75 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3kd4 s GLN 76 N -0.15 1.18 -0.03 -1.08 -0.21 0.11 -1.06 119.66 118.41 3kd4 s GLN 76 Ca 0.00 -1.08 0.07 0.00 0.02 0.00 0.00 55.36 54.37 3kd4 s GLN 76 Cb 0.00 -1.39 -0.02 0.00 1.00 0.00 0.00 33.01 32.61 3kd4 s GLN 76 CO 0.00 0.33 -0.26 0.99 -2.12 0.00 0.00 175.29 174.24 3kd4 s THR 77 N -1.06 2.05 -0.21 -0.19 2.01 -0.07 -4.09 115.64 114.07 3kd4 s THR 77 Ca 0.06 -1.09 -0.12 0.00 0.31 0.00 0.00 61.69 60.85 3kd4 s THR 77 Cb -0.10 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 3kd4 s THR 77 CO 0.03 0.57 0.22 -0.22 -0.69 0.00 0.00 174.62 174.54 3kd4 s LEU 78 N -0.44 4.16 -0.15 4.42 2.96 -1.26 -0.79 118.68 127.58 3kd4 s LEU 78 Ca 0.05 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 3kd4 s LEU 78 Cb -0.11 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.38 3kd4 s LEU 78 CO 0.01 0.07 -0.17 -0.75 -1.32 0.00 0.00 176.35 174.19 3kd4 s LYS 79 N 0.86 2.56 -0.31 1.98 2.47 0.38 -5.00 119.74 122.69 3kd4 s LYS 79 Ca 0.11 -0.67 -0.18 0.00 -1.56 0.00 0.00 55.97 53.67 3kd4 s LYS 79 Cb -0.13 -2.23 -0.01 0.00 -1.46 0.00 0.00 37.83 33.99 3kd4 s LYS 79 CO 0.04 -0.17 0.52 0.42 0.16 0.00 0.00 175.35 176.32 3kd4 s ILE 80 N 1.26 5.03 -0.01 5.43 -1.09 -1.26 -0.74 121.20 129.82 3kd4 s ILE 80 Ca 0.01 0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 58.88 3kd4 s ILE 80 Cb -0.14 -3.91 -0.33 0.00 -1.58 0.00 0.00 42.46 36.50 3kd4 s ILE 80 CO -0.09 -0.08 0.88 0.45 -1.23 0.00 0.00 174.94 174.88 3kd4 h HIS 81 N 8.26 0.82 -2.16 3.97 3.86 -0.86 -3.48 115.15 125.55 3kd4 h HIS 81 Ca -0.28 -0.60 -0.02 0.00 -1.16 0.00 0.00 60.37 58.31 3kd4 h HIS 81 Cb 1.13 -0.03 -0.18 0.00 1.06 0.00 0.00 27.41 29.39 3kd4 h HIS 81 CO 0.74 1.54 0.27 -1.54 0.86 0.00 0.00 177.93 179.80 3kd4 s SER 82 N -7.38 -0.58 -0.28 2.45 1.04 -0.90 -4.99 113.70 103.07 3kd4 s SER 82 Ca -0.12 0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.75 3kd4 s SER 82 Cb 0.04 0.51 0.16 0.00 0.10 0.00 0.00 66.02 66.82 3kd4 s SER 82 CO 0.89 -0.65 0.53 -0.55 0.98 0.00 0.00 173.24 174.44 3kd4 s SER 83 N -1.59 -0.79 0.20 7.02 0.15 -1.26 -1.47 113.70 115.95 3kd4 s SER 83 Ca -0.06 0.76 -0.20 0.00 0.70 0.00 0.00 55.95 57.15 3kd4 s SER 83 Cb -0.00 1.81 0.04 0.00 -1.71 0.00 0.00 66.02 66.16 3kd4 s SER 83 CO 0.03 -0.27 0.59 -0.72 1.20 0.00 0.00 173.24 174.07 3kd4 s TYR 84 N 2.75 -0.28 -0.12 3.44 1.13 -0.73 -1.46 117.35 122.09 3kd4 s TYR 84 Ca 0.14 -0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.76 3kd4 s TYR 84 Cb -0.15 0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 41.21 3kd4 s TYR 84 CO -0.19 -0.96 -0.13 0.99 -2.51 0.00 0.00 175.55 172.75 3kd4 s THR 85 N -3.84 3.06 -0.32 -3.49 2.01 0.41 -0.31 115.64 113.16 3kd4 s THR 85 Ca 0.07 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.30 3kd4 s THR 85 Cb -0.02 -2.27 -0.00 0.00 0.01 0.00 0.00 72.50 70.21 3kd4 s THR 85 CO -0.04 0.53 0.17 -0.60 -0.69 0.00 0.00 174.62 173.99 3kd4 s ARG 86 N 0.20 3.29 0.68 4.92 3.52 0.96 -0.33 118.95 132.19 3kd4 s ARG 86 Ca -0.08 -0.75 -0.11 0.00 -0.13 0.00 0.00 55.73 54.65 3kd4 s ARG 86 Cb -0.15 -3.61 -0.01 0.00 -1.56 0.00 0.00 34.95 29.62 3kd4 s ARG 86 CO 0.05 -0.45 1.07 -0.65 -0.81 0.00 0.00 175.30 174.50 3kd4 s GLN 87 N 1.62 3.12 0.38 5.12 -0.21 0.10 -0.39 119.66 129.41 3kd4 s GLN 87 Ca 0.04 0.63 0.07 0.00 0.02 0.00 0.00 55.36 56.13 3kd4 s GLN 87 Cb -0.17 -2.04 0.80 0.00 1.00 0.00 0.00 33.01 32.60 3kd4 s GLN 87 CO 0.07 -0.89 2.00 0.87 -2.12 0.00 0.00 175.29 175.22 3kd4 h LYS 88 N -0.55 0.64 0.00 2.91 1.57 -1.85 0.16 116.57 119.45 3kd4 h LYS 88 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3kd4 h LYS 88 Cb 1.22 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3kd4 h LYS 88 CO 0.62 0.43 0.00 -0.40 -0.57 0.00 0.00 179.45 179.53 3kd4 n ASP 89 N -4.47 0.00 0.00 0.86 5.68 -1.26 -4.87 116.55 112.49 3kd4 n ASP 89 Ca 0.08 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 3kd4 n ASP 89 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3kd4 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kd4 n GLY 90 N 0.58 0.73 3.74 6.12 0.00 0.04 -5.05 105.19 111.35 3kd4 n GLY 90 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3kd4 n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kd4 s THR 91 N -2.26 2.32 -0.20 2.61 2.01 -1.25 -4.74 115.64 114.12 3kd4 s THR 91 Ca 0.00 0.26 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 3kd4 s THR 91 Cb 0.00 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 3kd4 s THR 91 CO 0.00 0.04 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.34 3kd4 s ILE 92 N 0.13 3.90 -0.35 1.82 -1.09 -1.26 -0.72 121.20 123.63 3kd4 s ILE 92 Ca 0.63 -0.33 -0.01 0.00 -2.23 0.00 0.00 60.65 58.71 3kd4 s ILE 92 Cb -0.45 -2.77 0.09 0.00 -1.58 0.00 0.00 42.46 37.75 3kd4 s ILE 92 CO 0.44 0.42 0.10 -0.69 -1.23 0.00 0.00 174.94 173.98 3kd4 s VAL 93 N 1.07 2.94 0.19 2.92 1.01 0.56 -4.97 120.40 124.12 3kd4 s VAL 93 Ca 0.02 -1.89 -0.30 0.00 0.00 0.00 0.00 61.98 59.82 3kd4 s VAL 93 Cb -0.14 -2.93 -0.08 0.00 0.00 0.00 0.00 36.38 33.22 3kd4 s VAL 93 CO 0.01 -0.46 1.17 -0.75 0.00 0.00 0.00 175.10 175.07 3kd4 s LYS 94 N 1.13 4.52 0.01 2.72 2.20 -1.26 -0.44 119.74 128.62 3kd4 s LYS 94 Ca 0.04 1.83 -0.30 0.00 -0.36 0.00 0.00 55.97 57.18 3kd4 s LYS 94 Cb -0.21 -3.25 -0.07 0.00 -1.51 0.00 0.00 37.83 32.79 3kd4 s LYS 94 CO -0.04 -0.03 1.77 0.99 -0.36 0.00 0.00 175.35 177.68 3kd4 s THR 95 N -0.17 3.22 0.66 3.43 2.01 -0.53 -4.94 115.64 119.31 3kd4 s THR 95 Ca 0.51 0.40 -0.12 0.00 0.31 0.00 0.00 61.69 62.79 3kd4 s THR 95 Cb -0.32 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 3kd4 s THR 95 CO 0.37 -0.03 1.05 -2.16 -0.69 0.00 0.00 174.62 173.16 3kd4 s PRO 96 N 3.79 3.14 0.29 4.92 0.04 -1.26 -4.94 135.00 140.97 3kd4 s PRO 96 Ca 0.79 0.98 0.02 0.00 0.04 0.00 0.00 61.00 62.83 3kd4 s PRO 96 Cb -0.38 -2.02 0.62 0.00 0.04 0.00 0.00 34.50 32.76 3kd4 s PRO 96 CO 0.34 -0.94 1.80 -0.44 0.04 0.00 0.00 177.00 177.80 3kd4 h ASP 97 N -0.37 0.78 0.03 6.66 3.32 -1.97 -1.47 116.42 123.41 3kd4 h ASP 97 Ca -0.45 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3kd4 h ASP 97 Cb 1.21 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3kd4 h ASP 97 CO 0.58 0.34 0.00 -0.46 -1.72 0.00 0.00 179.24 177.98 3kd4 n ASN 98 N -4.74 0.00 -0.80 6.45 0.23 -1.26 -1.82 115.26 113.33 3kd4 n ASN 98 Ca 0.20 -0.64 0.12 0.00 -0.53 0.00 0.00 54.58 53.73 3kd4 n ASN 98 Cb 0.46 -0.02 0.30 0.00 -2.08 0.00 0.00 39.78 38.43 3kd4 n ASN 98 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kd4 n ALA 99 N -1.02 2.49 -2.75 -2.53 0.00 -0.55 -4.78 120.51 111.37 3kd4 n ALA 99 Ca 0.16 -0.67 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 3kd4 n ALA 99 Cb 0.08 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.44 3kd4 n ALA 99 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kd4 s PHE 100 N -1.83 3.22 -0.11 0.00 0.40 -0.76 -0.91 117.98 118.00 3kd4 s PHE 100 Ca 0.34 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 3kd4 s PHE 100 Cb 0.20 -2.43 0.01 0.00 0.51 0.00 0.00 43.02 41.31 3kd4 s PHE 100 CO 0.30 -0.53 -0.17 0.08 0.70 0.00 0.00 175.22 175.60 3kd4 s VAL 101 N 1.61 1.66 -0.14 -0.44 1.01 -0.24 -4.97 120.40 118.88 3kd4 s VAL 101 Ca 0.04 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 3kd4 s VAL 101 Cb -0.18 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3kd4 s VAL 101 CO 0.07 0.47 0.22 -0.70 0.00 0.00 0.00 175.10 175.17 3kd4 s GLU 102 N 0.89 3.99 0.20 2.72 2.12 -1.26 -0.47 118.70 126.88 3kd4 s GLU 102 Ca -0.08 -0.02 -0.02 0.00 0.36 0.00 0.00 54.97 55.21 3kd4 s GLU 102 Cb -0.15 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 3kd4 s GLU 102 CO -0.01 0.45 0.15 0.14 -0.54 0.00 0.00 175.26 175.46 3kd4 s VAL 103 N -0.13 0.00 0.06 3.70 -7.23 -0.25 -4.98 120.40 111.58 3kd4 s VAL 103 Ca 0.14 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 3kd4 s VAL 103 Cb -0.13 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 3kd4 s VAL 103 CO 0.03 -0.02 1.00 -0.22 -0.31 0.00 0.00 175.10 175.58 3kd4 s LEU 104 N -3.14 4.43 0.47 1.32 2.96 -1.26 -0.61 118.68 122.84 3kd4 s LEU 104 Ca 0.37 1.77 -0.25 0.00 -0.22 0.00 0.00 54.13 55.81 3kd4 s LEU 104 Cb 0.06 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 3kd4 s LEU 104 CO 0.11 -0.20 1.42 -2.65 -1.32 0.00 0.00 176.35 173.72 3kd4 n PRO 105 N 3.34 2.15 -0.15 0.98 -0.02 -1.26 -4.82 135.00 135.21 3kd4 n PRO 105 Ca 0.04 0.77 0.03 0.00 -2.02 0.00 0.00 63.50 62.33 3kd4 n PRO 105 Cb 0.50 -2.62 0.33 0.00 -0.02 0.00 0.00 33.50 31.68 3kd4 n PRO 105 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3kd4 h ARG 106 N 2.13 0.79 0.00 -0.52 -0.00 -2.00 -1.46 114.38 113.33 3kd4 h ARG 106 Ca -0.51 -0.05 0.00 0.00 -0.00 0.00 0.00 59.98 59.42 3kd4 h ARG 106 Cb 1.28 -0.18 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 3kd4 h ARG 106 CO 0.60 0.52 0.00 0.27 -0.00 0.00 0.00 179.97 181.37 3kd4 h PHE 107 N 0.82 0.00 -0.10 4.08 -5.15 -1.90 -2.17 116.94 112.51 3kd4 h PHE 107 Ca 0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.03 3kd4 h PHE 107 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.20 3kd4 h PHE 107 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 3kd4 n ALA 108 N -2.06 2.47 -1.77 12.09 0.00 -0.55 -4.06 120.51 126.63 3kd4 n ALA 108 Ca -0.02 -0.72 -0.40 0.00 0.00 0.00 0.00 53.44 52.30 3kd4 n ALA 108 Cb 0.10 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 18.70 3kd4 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kd4 s ALA 109 N -1.90 3.26 -1.70 0.00 0.00 -0.82 -2.52 121.76 118.08 3kd4 s ALA 109 Ca 0.31 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.74 3kd4 s ALA 109 Cb 0.21 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3kd4 s ALA 109 CO 0.31 -1.18 0.00 -0.25 0.00 0.00 0.00 175.76 174.64 3kd4 n ASP 110 N -0.15 -5.52 -3.56 0.00 8.00 -1.26 -4.95 116.55 109.11 3kd4 n ASP 110 Ca 0.05 0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.34 3kd4 n ASP 110 Cb 0.42 -4.64 -0.11 0.00 -0.02 0.00 0.00 41.12 36.76 3kd4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kd4 s ALA 111 N -2.93 2.01 0.32 2.24 0.00 -1.05 -5.01 121.76 117.34 3kd4 s ALA 111 Ca 0.00 -2.73 0.07 0.00 0.00 0.00 0.00 51.96 49.30 3kd4 s ALA 111 Cb 0.00 -1.77 0.75 0.00 0.00 0.00 0.00 23.12 22.10 3kd4 s ALA 111 CO 0.00 -2.03 1.81 -1.35 0.00 0.00 0.00 175.76 174.19 3kd4 h PRO 112 N 5.89 0.74 0.00 0.00 0.11 -1.92 0.12 132.00 136.94 3kd4 h PRO 112 Ca 0.18 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kd4 h PRO 112 Cb 0.88 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 3kd4 h PRO 112 CO 0.46 0.49 -0.01 0.00 -0.21 0.00 0.00 178.00 178.73 3kd4 h ALA 113 N 1.61 1.12 -0.21 -0.75 0.00 -1.95 -2.65 119.26 116.42 3kd4 h ALA 113 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3kd4 h ALA 113 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3kd4 h ALA 113 CO -0.31 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.62 3kd4 n TYR 114 N -3.27 0.71 1.20 0.00 4.01 0.41 -4.70 117.16 115.53 3kd4 n TYR 114 Ca -0.02 -0.88 0.12 0.00 -0.16 0.00 0.00 57.90 56.96 3kd4 n TYR 114 Cb 0.12 -0.26 0.62 0.00 -0.31 0.00 0.00 39.34 39.50 3kd4 n TYR 114 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3kd4 n ASN 115 N -0.64 0.00 0.13 7.72 0.23 -1.00 -2.03 115.26 119.67 3kd4 n ASN 115 Ca 0.19 -0.22 0.13 0.00 -0.53 0.00 0.00 54.58 54.15 3kd4 n ASN 115 Cb 0.81 -0.22 0.32 0.00 -2.08 0.00 0.00 39.78 38.61 3kd4 n ASN 115 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3kd4 h GLN 116 N 0.00 0.00 -7.01 -3.83 -0.00 -1.84 -3.48 115.11 98.95 3kd4 h GLN 116 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 58.65 58.11 3kd4 h GLN 116 Cb 0.17 0.00 0.12 0.00 -0.00 0.00 0.00 27.48 27.76 3kd4 h GLN 116 CO 0.00 0.00 0.63 -0.51 -0.00 0.00 0.00 178.83 178.95 3kd4 s LEU 117 N -4.94 3.99 0.05 0.06 1.43 -0.86 -4.48 118.68 113.92 3kd4 s LEU 117 Ca 0.09 2.76 0.07 0.00 -1.03 0.00 0.00 54.13 56.03 3kd4 s LEU 117 Cb 0.11 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.18 3kd4 s LEU 117 CO 0.63 -1.31 -0.20 -0.54 0.23 0.00 0.00 176.35 175.16 3kd4 s LYS 118 N -2.67 1.32 0.00 1.70 -0.14 -0.54 -4.45 119.74 114.97 3kd4 s LYS 118 Ca 0.66 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 54.33 3kd4 s LYS 118 Cb -0.40 -1.43 0.00 0.00 -1.68 0.00 0.00 37.83 34.32 3kd4 s LYS 118 CO 0.50 0.36 0.00 -1.91 -0.76 0.00 0.00 175.35 173.54 3kd4 n GLU 119 N 1.79 1.44 -3.36 1.68 2.13 0.22 -0.45 120.64 124.09 3kd4 n GLU 119 Ca -0.17 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.67 3kd4 n GLU 119 Cb 0.53 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.21 3kd4 n GLU 119 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kd4 s VAL 121 N -1.02 -0.53 -0.33 6.31 1.01 0.38 -1.09 120.40 125.14 3kd4 s VAL 121 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 3kd4 s VAL 121 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3kd4 s VAL 121 CO 0.00 0.00 0.31 -0.69 0.00 0.00 0.00 175.10 174.72 3kd4 s VAL 122 N 2.57 5.22 -0.36 2.92 1.01 0.29 -1.08 120.40 130.97 3kd4 s VAL 122 Ca -0.01 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 3kd4 s VAL 122 Cb -0.07 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3kd4 s VAL 122 CO -0.17 0.00 0.58 -0.69 0.00 0.00 0.00 175.10 174.83 3kd4 s VAL 123 N 1.91 4.94 -0.12 2.92 1.01 -0.08 -1.08 120.40 129.89 3kd4 s VAL 123 Ca 0.10 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 3kd4 s VAL 123 Cb -0.17 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 3kd4 s VAL 123 CO 0.11 -0.29 1.19 -1.00 0.00 0.00 0.00 175.10 175.11 3kd4 s HIS 124 N 2.57 3.10 0.36 5.22 3.76 -0.11 -4.87 115.29 125.33 3kd4 s HIS 124 Ca 0.22 1.19 0.08 0.00 -0.15 0.00 0.00 55.06 56.40 3kd4 s HIS 124 Cb -0.15 -3.42 -0.03 0.00 1.11 0.00 0.00 32.58 30.09 3kd4 s HIS 124 CO 0.14 -1.29 0.27 0.95 -0.85 0.00 0.00 174.74 173.97 3kd4 s THR 125 N 2.80 3.13 -0.79 1.30 -4.23 -1.26 -4.54 115.64 112.05 3kd4 s THR 125 Ca 0.54 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 3kd4 s THR 125 Cb -0.22 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.54 3kd4 s THR 125 CO 0.17 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3kd4 n GLY 126 N -1.36 0.90 3.77 3.99 0.00 -1.26 -4.47 105.19 106.76 3kd4 n GLY 126 Ca -0.01 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 3kd4 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kd4 s LEU 127 N -1.69 4.38 0.11 0.99 1.43 -1.26 -4.84 118.68 117.80 3kd4 s LEU 127 Ca 0.00 2.80 -0.12 0.00 -1.03 0.00 0.00 54.13 55.79 3kd4 s LEU 127 Cb 0.00 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.58 3kd4 s LEU 127 CO 0.00 -0.68 0.28 -1.61 0.23 0.00 0.00 176.35 174.57 3kd4 s GLU 128 N -1.53 0.96 -0.07 1.70 2.02 -1.26 -5.06 118.70 115.46 3kd4 s GLU 128 Ca 0.53 -0.87 -0.38 0.00 0.02 0.00 0.00 54.97 54.27 3kd4 s GLU 128 Cb -0.43 0.40 -0.16 0.00 0.10 0.00 0.00 34.13 34.04 3kd4 s GLU 128 CO 0.54 -0.34 1.54 1.28 0.02 0.00 0.00 175.26 178.30 3kd4 n LEU 129 N -0.14 2.11 0.00 1.80 4.77 -1.26 -0.98 117.00 123.30 3kd4 n LEU 129 Ca -0.15 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 3kd4 n LEU 129 Cb 0.63 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 3kd4 n LEU 129 CO 0.20 -0.71 0.00 0.61 -1.33 0.00 0.00 177.39 176.17 3kd4 n GLY 130 N 3.34 0.85 3.78 -0.72 0.00 0.33 -4.74 105.19 108.04 3kd4 n GLY 130 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3kd4 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd4 s ALA 131 N -3.33 2.62 -0.14 4.61 0.00 -0.15 -4.36 121.76 121.00 3kd4 s ALA 131 Ca 0.00 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.52 3kd4 s ALA 131 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.84 3kd4 s ALA 131 CO 0.00 -0.97 -0.20 0.99 0.00 0.00 0.00 175.76 175.58 3kd4 s THR 132 N -2.26 1.92 -0.03 0.00 2.01 0.47 -1.76 115.64 116.00 3kd4 s THR 132 Ca 0.67 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 61.51 3kd4 s THR 132 Cb -0.19 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 3kd4 s THR 132 CO 0.36 0.52 0.87 -0.63 -0.69 0.00 0.00 174.62 175.05 3kd4 s ILE 133 N 1.01 4.94 -0.16 1.82 1.01 0.87 -0.03 121.20 130.66 3kd4 s ILE 133 Ca -0.03 1.81 -0.01 0.00 0.00 0.00 0.00 60.65 62.42 3kd4 s ILE 133 Cb -0.15 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 3kd4 s ILE 133 CO -0.05 0.19 -0.13 -0.31 0.00 0.00 0.00 174.94 174.64 3kd4 s TYR 134 N 0.95 2.83 -0.05 3.97 1.51 0.58 -1.06 117.35 126.09 3kd4 s TYR 134 Ca 0.46 -0.95 -0.02 0.00 -1.01 0.00 0.00 57.07 55.56 3kd4 s TYR 134 Cb -0.20 -1.92 0.03 0.00 -0.11 0.00 0.00 41.96 39.77 3kd4 s TYR 134 CO 0.24 -0.43 0.10 -1.17 -1.11 0.00 0.00 175.55 173.18 3kd4 s LEU 135 N 0.84 0.90 -0.10 -1.29 2.96 -1.26 -1.77 118.68 118.97 3kd4 s LEU 135 Ca -0.04 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 3kd4 s LEU 135 Cb -0.15 0.22 0.04 0.00 0.50 0.00 0.00 46.19 46.80 3kd4 s LEU 135 CO 0.00 -0.13 0.07 -0.62 -1.32 0.00 0.00 176.35 174.35 3kd4 s ASP 136 N 1.06 1.69 0.08 3.68 -1.08 -0.55 -4.16 116.67 117.40 3kd4 s ASP 136 Ca -0.08 -0.23 -0.03 0.00 -0.52 0.00 0.00 52.55 51.68 3kd4 s ASP 136 Cb -0.11 -0.20 -0.03 0.00 -1.46 0.00 0.00 42.92 41.12 3kd4 s ASP 136 CO -0.05 -0.29 0.06 -0.72 0.52 0.00 0.00 175.17 174.70 3kd4 s TYR 137 N 2.14 0.49 0.09 -5.34 1.13 -0.31 -0.10 117.35 115.46 3kd4 s TYR 137 Ca 0.04 -0.96 0.08 0.00 -1.41 0.00 0.00 57.07 54.81 3kd4 s TYR 137 Cb -0.14 -0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 40.39 3kd4 s TYR 137 CO -0.06 -0.47 -0.21 -1.12 -2.51 0.00 0.00 175.55 171.18 3kd4 s SER 138 N -2.94 2.53 -0.21 -0.18 0.01 0.08 -0.20 113.70 112.79 3kd4 s SER 138 Ca 0.11 -0.65 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 3kd4 s SER 138 Cb 0.07 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 3kd4 s SER 138 CO -0.07 0.08 -0.05 -0.63 0.41 0.00 0.00 173.24 172.98 3kd4 s ILE 139 N -1.07 3.35 -0.22 1.44 1.01 0.63 -0.47 121.20 125.87 3kd4 s ILE 139 Ca 0.07 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 3kd4 s ILE 139 Cb -0.10 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 3kd4 s ILE 139 CO 0.04 0.43 0.02 -0.63 0.00 0.00 0.00 174.94 174.80 3kd4 s ILE 140 N 1.41 4.06 -0.18 2.92 1.01 0.03 -0.90 121.20 129.55 3kd4 s ILE 140 Ca 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 3kd4 s ILE 140 Cb -0.14 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 3kd4 s ILE 140 CO -0.03 0.40 -0.04 -0.89 0.00 0.00 0.00 174.94 174.38 3kd4 s THR 141 N 1.18 3.67 0.78 2.92 2.01 0.07 -0.89 115.64 125.37 3kd4 s THR 141 Ca 0.03 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 3kd4 s THR 141 Cb -0.14 -2.63 0.06 0.00 0.01 0.00 0.00 72.50 69.79 3kd4 s THR 141 CO 0.02 0.46 1.08 -1.59 -0.69 0.00 0.00 174.62 173.90 3kd4 s LYS 142 N 0.84 2.24 0.71 4.92 -2.85 -0.22 -1.10 119.74 124.27 3kd4 s LYS 142 Ca -0.01 0.90 -0.16 0.00 -1.00 0.00 0.00 55.97 55.70 3kd4 s LYS 142 Cb -0.15 -1.92 0.01 0.00 -2.06 0.00 0.00 37.83 33.72 3kd4 s LYS 142 CO 0.02 -1.58 1.14 -2.30 0.10 0.00 0.00 175.35 172.73 3kd4 n PRO 143 N -3.44 0.69 -0.49 1.78 -0.02 -1.26 -3.76 135.00 128.50 3kd4 n PRO 143 Ca 0.08 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3kd4 n PRO 143 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3kd4 n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kd4 n GLY 144 N 0.92 0.75 0.54 -1.23 0.00 -1.26 -4.92 105.19 99.99 3kd4 n GLY 144 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 3kd4 n GLY 144 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kd4 n TYR 145 N -2.41 0.00 -3.95 1.61 9.36 -1.25 -4.97 117.16 115.56 3kd4 n TYR 145 Ca 0.00 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.87 3kd4 n TYR 145 Cb 0.00 -0.52 -0.10 0.00 -0.63 0.00 0.00 39.34 38.09 3kd4 n TYR 145 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3kd4 s TYR 146 N -2.29 3.27 0.47 2.98 2.02 -1.26 -4.64 117.35 117.89 3kd4 s TYR 146 Ca -0.21 0.09 0.30 0.00 -0.37 0.00 0.00 57.07 56.89 3kd4 s TYR 146 Cb 0.08 -2.10 1.63 0.00 -0.40 0.00 0.00 41.96 41.17 3kd4 s TYR 146 CO 0.26 0.15 2.14 -1.35 -1.57 0.00 0.00 175.55 175.18 3kd4 h PRO 147 N 6.78 0.00 -2.94 -1.71 0.11 -1.93 -3.46 132.00 128.85 3kd4 h PRO 147 Ca -0.37 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.79 3kd4 h PRO 147 Cb 1.17 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 3kd4 h PRO 147 CO 0.70 0.07 0.25 0.00 -0.21 0.00 0.00 178.00 178.82 3kd4 s ALA 148 N -4.27 -1.36 -0.05 -0.75 0.00 -1.26 -4.98 121.76 109.09 3kd4 s ALA 148 Ca -0.03 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 3kd4 s ALA 148 Cb 0.13 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 3kd4 s ALA 148 CO 0.56 -0.96 1.11 -1.17 0.00 0.00 0.00 175.76 175.29 3kd4 s LEU 149 N -2.87 4.29 -0.27 0.00 2.96 -1.26 -4.93 118.68 116.60 3kd4 s LEU 149 Ca 0.08 1.72 -0.01 0.00 -0.22 0.00 0.00 54.13 55.70 3kd4 s LEU 149 Cb -0.04 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.22 3kd4 s LEU 149 CO 0.01 -0.48 0.30 -0.62 -1.32 0.00 0.00 176.35 174.24 3kd4 s ASP 150 N 1.24 1.45 -0.04 3.68 -1.08 -1.26 -0.99 116.67 119.66 3kd4 s ASP 150 Ca 0.53 -0.57 0.06 0.00 -0.52 0.00 0.00 52.55 52.05 3kd4 s ASP 150 Cb -0.23 0.57 -0.01 0.00 -1.46 0.00 0.00 42.92 41.79 3kd4 s ASP 150 CO 0.22 -0.37 -0.24 -0.63 0.52 0.00 0.00 175.17 174.67 3kd4 s ILE 151 N 2.38 1.95 -0.41 4.11 1.01 0.48 -4.72 121.20 126.01 3kd4 s ILE 151 Ca 0.09 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3kd4 s ILE 151 Cb -0.14 -1.64 0.16 0.00 0.01 0.00 0.00 42.46 40.86 3kd4 s ILE 151 CO -0.28 0.55 0.40 0.21 0.00 0.00 0.00 174.94 175.82 3kd4 s ASN 152 N -0.29 1.00 -0.20 3.58 2.47 -1.24 -1.61 114.94 118.65 3kd4 s ASN 152 Ca 0.01 -2.19 -0.03 0.00 0.42 0.00 0.00 52.86 51.07 3kd4 s ASN 152 Cb -0.12 0.34 -0.01 0.00 -1.45 0.00 0.00 41.25 40.01 3kd4 s ASN 152 CO 0.02 -0.20 -0.05 -0.70 -3.72 0.00 0.00 177.10 172.45 3kd4 s GLU 153 N 0.82 3.43 0.09 0.43 2.56 0.93 -4.93 118.70 122.03 3kd4 s GLU 153 Ca 0.25 -0.61 -0.31 0.00 0.00 0.00 0.00 54.97 54.30 3kd4 s GLU 153 Cb -0.07 -2.95 -0.07 0.00 2.00 0.00 0.00 34.13 33.04 3kd4 s GLU 153 CO -0.08 -0.07 1.33 0.50 -0.56 0.00 0.00 175.26 176.38 3kd4 s ARG 154 N 1.16 4.35 -0.02 4.30 3.52 -1.26 -1.03 118.95 129.97 3kd4 s ARG 154 Ca 0.02 1.98 0.15 0.00 -0.13 0.00 0.00 55.73 57.75 3kd4 s ARG 154 Cb -0.14 -3.30 -0.23 0.00 -1.56 0.00 0.00 34.95 29.72 3kd4 s ARG 154 CO -0.01 -0.39 0.37 1.28 -0.81 0.00 0.00 175.30 175.74 3kd4 n LEU 155 N 4.04 0.09 -4.76 -0.88 4.77 -0.06 -4.95 117.00 115.26 3kd4 n LEU 155 Ca 0.11 -0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.62 3kd4 n LEU 155 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3kd4 n LEU 155 CO 0.58 0.02 0.60 -1.58 -1.33 0.00 0.00 177.39 175.68 3kd4 s GLN 156 N -2.96 4.76 0.52 3.23 0.74 -1.24 -4.97 119.66 119.74 3kd4 s GLN 156 Ca -0.04 1.38 0.02 0.00 0.05 0.00 0.00 55.36 56.77 3kd4 s GLN 156 Cb 0.10 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.93 3kd4 s GLN 156 CO 0.63 0.53 0.04 -1.21 -0.55 0.00 0.00 175.29 174.73 3kd4 s GLU 157 N -1.14 2.20 0.25 1.67 0.41 -1.26 -4.95 118.70 115.89 3kd4 s GLU 157 Ca 0.39 -2.37 0.25 0.00 -0.41 0.00 0.00 54.97 52.84 3kd4 s GLU 157 Cb -0.25 -1.59 0.87 0.00 -1.78 0.00 0.00 34.13 31.38 3kd4 s GLU 157 CO 0.30 -0.39 1.76 1.79 -0.49 0.00 0.00 175.26 178.22 3kd4 h THR 158 N 1.28 0.00 -2.55 3.63 1.35 -1.93 0.41 112.91 115.10 3kd4 h THR 158 Ca -0.43 -0.42 -0.58 0.00 -0.55 0.00 0.00 66.41 64.43 3kd4 h THR 158 Cb 1.32 1.33 -0.10 0.00 -1.73 0.00 0.00 68.15 68.96 3kd4 h THR 158 CO 0.72 0.00 -0.65 -0.44 -0.25 0.00 0.00 175.52 174.90 3kd4 s SER 159 N -4.54 4.63 0.64 5.36 0.01 -1.26 -4.13 113.70 114.40 3kd4 s SER 159 Ca 0.08 -0.53 -0.18 0.00 1.31 0.00 0.00 55.95 56.62 3kd4 s SER 159 Cb 0.11 -0.91 -0.02 0.00 0.21 0.00 0.00 66.02 65.41 3kd4 s SER 159 CO 0.53 0.04 1.30 -2.84 0.41 0.00 0.00 173.24 172.69 3kd4 s PRO 160 N -3.31 2.61 -0.24 12.44 0.02 -1.26 -4.31 135.00 140.95 3kd4 s PRO 160 Ca 0.29 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.41 3kd4 s PRO 160 Cb -0.08 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.59 3kd4 s PRO 160 CO 0.19 -1.56 -0.12 0.08 -0.33 0.00 0.00 177.00 175.27 3kd4 s VAL 161 N -1.38 2.34 0.16 3.83 1.01 -0.47 -0.58 120.40 125.31 3kd4 s VAL 161 Ca 0.82 -1.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3kd4 s VAL 161 Cb -0.38 -2.23 -0.08 0.00 0.00 0.00 0.00 36.38 33.69 3kd4 s VAL 161 CO 0.41 0.17 1.45 0.50 0.00 0.00 0.00 175.10 177.62 3kd4 h LYS 162 N 7.88 0.72 -2.75 2.72 3.64 -0.94 0.19 116.57 128.04 3kd4 h LYS 162 Ca -0.29 -0.46 -0.14 0.00 -1.27 0.00 0.00 60.65 58.48 3kd4 h LYS 162 Cb 1.08 0.06 -0.27 0.00 -0.41 0.00 0.00 32.23 32.69 3kd4 h LYS 162 CO 0.54 1.09 -0.35 -2.00 -2.27 0.00 0.00 179.45 176.45 3kd4 s GLU 163 N -4.04 0.34 -0.14 1.90 2.12 -1.13 -0.84 118.70 116.90 3kd4 s GLU 163 Ca -0.09 0.72 -0.01 0.00 0.36 0.00 0.00 54.97 55.95 3kd4 s GLU 163 Cb 0.11 -0.05 0.04 0.00 0.26 0.00 0.00 34.13 34.48 3kd4 s GLU 163 CO 0.87 -0.16 -0.05 0.00 -0.54 0.00 0.00 175.26 175.38 3kd4 s LYS 165 N 1.70 3.53 0.01 0.00 1.02 0.08 -0.08 119.74 126.00 3kd4 s LYS 165 Ca 0.03 -0.59 0.04 0.00 0.02 0.00 0.00 55.97 55.47 3kd4 s LYS 165 Cb -0.14 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 3kd4 s LYS 165 CO -0.08 0.18 -0.13 0.14 -0.92 0.00 0.00 175.35 174.54 3kd4 s VAL 166 N 0.49 1.06 -0.05 3.17 -7.23 -0.72 -0.83 120.40 116.29 3kd4 s VAL 166 Ca -0.05 -0.74 -0.04 0.00 -1.81 0.00 0.00 61.98 59.34 3kd4 s VAL 166 Cb -0.15 -0.92 0.02 0.00 0.56 0.00 0.00 36.38 35.89 3kd4 s VAL 166 CO 0.03 0.17 0.12 -0.55 -0.31 0.00 0.00 175.10 174.57 3kd4 s SER 167 N -0.64 -0.12 -0.08 4.85 0.15 -0.50 -0.90 113.70 116.46 3kd4 s SER 167 Ca 0.04 0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.96 3kd4 s SER 167 Cb -0.06 0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 3kd4 s SER 167 CO 0.00 -0.07 -0.14 -0.63 1.20 0.00 0.00 173.24 173.60 3kd4 s ILE 168 N 0.36 1.33 -0.07 6.45 1.01 0.28 -0.82 121.20 129.74 3kd4 s ILE 168 Ca -0.02 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.07 3kd4 s ILE 168 Cb -0.04 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.24 3kd4 s ILE 168 CO -0.01 0.40 -0.16 -0.44 0.00 0.00 0.00 174.94 174.72 3kd4 s SER 169 N 0.66 2.16 0.08 3.58 0.01 0.28 -1.20 113.70 119.28 3kd4 s SER 169 Ca -0.14 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 3kd4 s SER 169 Cb -0.16 -0.89 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 3kd4 s SER 169 CO 0.04 0.09 -0.00 0.68 0.41 0.00 0.00 173.24 174.46 3kd4 s VAL 170 N 0.42 0.21 0.34 3.43 -7.23 -0.26 -0.50 120.40 116.81 3kd4 s VAL 170 Ca -0.13 -1.86 -0.28 0.00 -1.81 0.00 0.00 61.98 57.90 3kd4 s VAL 170 Cb -0.15 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 3kd4 s VAL 170 CO 0.04 -0.80 1.35 -2.84 -0.31 0.00 0.00 175.10 172.55 3kd4 s PRO 171 N -3.96 4.29 0.24 4.82 0.02 -1.25 -0.11 135.00 139.04 3kd4 s PRO 171 Ca 0.14 2.31 -0.31 0.00 0.02 0.00 0.00 61.00 63.15 3kd4 s PRO 171 Cb 0.08 -3.04 -0.14 0.00 0.02 0.00 0.00 34.50 31.41 3kd4 s PRO 171 CO -0.05 -0.28 1.23 0.39 -0.33 0.00 0.00 177.00 177.96 3kd4 n GLU 172 N 0.70 1.63 0.00 5.54 1.02 -0.17 -1.40 120.64 127.96 3kd4 n GLU 172 Ca 0.00 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 3kd4 n GLU 172 Cb 0.41 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 3kd4 n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kd4 n GLY 173 N 1.77 1.28 3.72 0.62 0.00 -1.26 -5.01 105.19 106.30 3kd4 n GLY 173 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3kd4 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kd4 s THR 174 N -2.30 4.90 0.41 2.61 2.01 -0.49 -5.03 115.64 117.75 3kd4 s THR 174 Ca 0.00 1.78 -0.26 0.00 0.31 0.00 0.00 61.69 63.52 3kd4 s THR 174 Cb 0.00 -4.19 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 3kd4 s THR 174 CO 0.00 0.22 1.29 -2.16 -0.69 0.00 0.00 174.62 173.29 3kd4 s PRO 175 N 0.76 3.95 -0.05 4.92 0.04 -1.26 -4.94 135.00 138.42 3kd4 s PRO 175 Ca 0.45 2.13 -0.02 0.00 0.04 0.00 0.00 61.00 63.59 3kd4 s PRO 175 Cb -0.20 -2.73 0.04 0.00 0.04 0.00 0.00 34.50 31.65 3kd4 s PRO 175 CO 0.24 -0.50 0.09 -1.17 0.04 0.00 0.00 177.00 175.70 3kd4 s LEU 176 N -2.47 0.30 -0.11 -3.56 2.96 -1.26 -4.28 118.68 110.26 3kd4 s LEU 176 Ca 0.57 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 3kd4 s LEU 176 Cb -0.37 0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.34 3kd4 s LEU 176 CO 0.48 -0.22 -0.11 0.00 -1.32 0.00 0.00 176.35 175.18 3kd4 s ALA 177 N 1.92 2.72 -0.03 5.97 0.00 -0.43 -4.99 121.76 126.92 3kd4 s ALA 177 Ca 0.01 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 3kd4 s ALA 177 Cb -0.12 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.80 3kd4 s ALA 177 CO -0.04 0.35 0.14 0.00 0.00 0.00 0.00 175.76 176.21 3kd4 s GLY 179 N -0.66 -0.38 -0.39 0.00 0.00 0.32 -5.00 107.32 101.21 3kd4 s GLY 179 Ca -0.07 1.23 -0.13 0.00 0.00 0.00 0.00 44.72 45.75 3kd4 s GLY 179 CO 0.01 1.00 0.25 -2.27 0.00 0.00 0.00 173.10 172.09 3kd4 s LEU 180 N -0.30 4.89 0.10 0.66 2.96 -1.26 -1.07 118.68 124.66 3kd4 s LEU 180 Ca -0.05 -0.93 -0.11 0.00 -0.22 0.00 0.00 54.13 52.83 3kd4 s LEU 180 Cb -0.03 -2.09 -0.06 0.00 0.50 0.00 0.00 46.19 44.50 3kd4 s LEU 180 CO 0.03 -0.41 0.45 -0.31 -1.32 0.00 0.00 176.35 174.79 3kd4 s TYR 181 N 1.62 3.59 -0.47 5.38 1.51 0.71 -4.32 117.35 125.37 3kd4 s TYR 181 Ca 0.04 0.88 0.00 0.00 -1.01 0.00 0.00 57.07 56.98 3kd4 s TYR 181 Cb -0.19 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.43 3kd4 s TYR 181 CO 0.08 0.49 0.00 0.41 -1.11 0.00 0.00 175.55 175.42 3kd4 n GLY 182 N 0.87 0.57 3.59 0.71 0.00 -1.23 -0.41 105.19 109.30 3kd4 n GLY 182 Ca -0.07 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 3kd4 n GLY 182 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kd4 s SER 183 N -2.90 -0.71 0.00 1.61 0.15 -1.26 -4.03 113.70 106.56 3kd4 s SER 183 Ca 0.00 1.29 0.25 0.00 0.70 0.00 0.00 55.95 58.18 3kd4 s SER 183 Cb 0.00 1.28 1.14 0.00 -1.71 0.00 0.00 66.02 66.73 3kd4 s SER 183 CO 0.00 -0.30 1.77 -0.81 1.20 0.00 0.00 173.24 175.11 3kd4 n PRO 184 N 2.43 1.41 -1.90 5.44 -0.04 -1.26 -4.92 135.00 136.16 3kd4 n PRO 184 Ca -0.15 -0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 62.29 3kd4 n PRO 184 Cb 0.55 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 3kd4 n PRO 184 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kd4 s VAL 185 N -1.94 2.40 0.08 0.52 1.01 -1.26 -4.97 120.40 116.25 3kd4 s VAL 185 Ca 0.36 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 3kd4 s VAL 185 Cb 0.18 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 3kd4 s VAL 185 CO 0.29 0.05 0.53 -0.54 0.00 0.00 0.00 175.10 175.44 3kd4 s LYS 186 N -0.15 4.09 0.35 2.72 -0.14 -1.26 -4.90 119.74 120.44 3kd4 s LYS 186 Ca 0.63 0.61 -0.29 0.00 -1.36 0.00 0.00 55.97 55.56 3kd4 s LYS 186 Cb -0.45 -3.15 -0.11 0.00 -1.68 0.00 0.00 37.83 32.44 3kd4 s LYS 186 CO 0.43 0.60 1.51 0.00 -0.76 0.00 0.00 175.35 177.14 3kd4 n ALA 187 N 1.48 2.38 -3.11 5.17 0.00 -1.26 -4.76 120.51 120.40 3kd4 n ALA 187 Ca -0.10 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.35 3kd4 n ALA 187 Cb 0.51 -2.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.41 3kd4 n ALA 187 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kd4 s VAL 188 N -0.77 3.86 -0.11 0.00 1.01 0.47 -4.95 120.40 119.91 3kd4 s VAL 188 Ca 0.57 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 3kd4 s VAL 188 Cb -0.49 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3kd4 s VAL 188 CO 0.59 0.44 0.11 -1.61 0.00 0.00 0.00 175.10 174.63 3kd4 s GLU 189 N 0.92 3.34 -0.18 2.72 2.02 -1.26 -1.03 118.70 125.23 3kd4 s GLU 189 Ca 0.01 -0.19 -0.05 0.00 0.02 0.00 0.00 54.97 54.75 3kd4 s GLU 189 Cb -0.14 -3.10 0.09 0.00 0.10 0.00 0.00 34.13 31.07 3kd4 s GLU 189 CO 0.02 0.76 0.34 -2.00 0.02 0.00 0.00 175.26 174.40 3kd4 s GLU 190 N -1.00 0.25 0.06 1.61 2.12 0.75 -4.99 118.70 117.49 3kd4 s GLU 190 Ca 0.15 0.80 0.02 0.00 0.36 0.00 0.00 54.97 56.30 3kd4 s GLU 190 Cb -0.12 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.21 3kd4 s GLU 190 CO 0.04 -0.34 0.08 -1.54 -0.54 0.00 0.00 175.26 172.96 3kd4 s SER 191 N 2.51 5.58 -0.27 -1.70 1.04 -1.26 -0.64 113.70 118.96 3kd4 s SER 191 Ca 0.02 0.04 -0.25 0.00 0.48 0.00 0.00 55.95 56.24 3kd4 s SER 191 Cb -0.13 -1.53 0.11 0.00 0.10 0.00 0.00 66.02 64.57 3kd4 s SER 191 CO -0.11 0.20 0.94 -1.38 0.98 0.00 0.00 173.24 173.87 3kd4 s HIS 192 N -1.34 -0.56 -1.47 5.02 -0.00 -0.41 -5.00 115.29 111.54 3kd4 s HIS 192 Ca 0.28 1.34 -0.06 0.00 -0.00 0.00 0.00 55.06 56.61 3kd4 s HIS 192 Cb -0.12 0.34 0.03 0.00 -0.00 0.00 0.00 32.58 32.83 3kd4 s HIS 192 CO 0.20 -0.28 0.60 -0.25 -0.00 0.00 0.00 174.74 175.01 3kd4 n ASP 193 N 2.26 -5.39 -0.08 7.38 8.00 -1.26 -0.06 116.55 127.41 3kd4 n ASP 193 Ca -0.13 -0.34 -0.01 0.00 0.71 0.00 0.00 54.79 55.03 3kd4 n ASP 193 Cb 0.56 -4.37 -0.00 0.00 -0.02 0.00 0.00 41.12 37.28 3kd4 n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kd4 n GLY 194 N -1.44 0.47 3.39 0.44 0.00 -1.26 -5.03 105.19 101.76 3kd4 n GLY 194 Ca -0.08 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3kd4 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kd4 s ILE 195 N -1.87 2.60 -0.23 -0.61 1.01 0.91 -1.00 121.20 122.02 3kd4 s ILE 195 Ca 0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3kd4 s ILE 195 Cb 0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3kd4 s ILE 195 CO 0.00 0.58 0.08 -0.75 0.00 0.00 0.00 174.94 174.85 3kd4 s LYS 196 N -0.62 3.80 -0.02 2.79 2.20 0.84 -1.28 119.74 127.45 3kd4 s LYS 196 Ca 0.09 -0.42 0.06 0.00 -0.36 0.00 0.00 55.97 55.35 3kd4 s LYS 196 Cb -0.11 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 3kd4 s LYS 196 CO 0.00 -0.01 -0.21 -2.00 -0.36 0.00 0.00 175.35 172.78 3kd4 s GLU 197 N 1.15 1.71 -0.01 4.03 -6.30 0.18 -1.10 118.70 118.35 3kd4 s GLU 197 Ca 0.05 -0.74 0.03 0.00 -2.50 0.00 0.00 54.97 51.80 3kd4 s GLU 197 Cb -0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 34.13 32.34 3kd4 s GLU 197 CO 0.03 0.44 -0.10 0.54 0.02 0.00 0.00 175.26 176.19 3kd4 s VAL 198 N -0.47 0.83 0.04 3.70 0.11 -0.34 -0.18 120.40 124.09 3kd4 s VAL 198 Ca 0.07 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 58.68 3kd4 s VAL 198 Cb -0.08 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3kd4 s VAL 198 CO -0.01 0.24 -0.02 -1.38 -3.33 0.00 0.00 175.10 170.60 3kd4 s HIS 199 N -0.17 0.40 0.07 1.54 -3.43 -0.20 -0.56 115.29 112.95 3kd4 s HIS 199 Ca 0.03 -0.83 0.03 0.00 -0.80 0.00 0.00 55.06 53.49 3kd4 s HIS 199 Cb -0.05 -0.30 -0.03 0.00 -1.43 0.00 0.00 32.58 30.77 3kd4 s HIS 199 CO -0.00 -0.31 -0.10 -1.58 -2.00 0.00 0.00 174.74 170.75 3kd4 s TRP 200 N -2.91 0.91 -0.17 0.38 0.51 -0.08 -0.39 118.94 117.19 3kd4 s TRP 200 Ca -0.02 -0.58 0.00 0.00 -2.12 0.00 0.00 56.10 53.38 3kd4 s TRP 200 Cb 0.01 -0.52 0.04 0.00 -0.81 0.00 0.00 33.47 32.18 3kd4 s TRP 200 CO -0.06 -0.04 -0.08 0.99 -0.51 0.00 0.00 176.95 177.25 3kd4 s THR 201 N -1.88 1.36 -0.03 2.01 2.01 -1.26 -1.76 115.64 116.09 3kd4 s THR 201 Ca -0.02 -0.74 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 3kd4 s THR 201 Cb -0.06 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 3kd4 s THR 201 CO 0.00 0.20 0.02 -0.76 -0.69 0.00 0.00 174.62 173.40 3kd4 s LEU 202 N 1.53 3.65 0.02 4.42 1.02 0.88 -4.96 118.68 125.24 3kd4 s LEU 202 Ca 0.01 0.09 0.06 0.00 0.02 0.00 0.00 54.13 54.31 3kd4 s LEU 202 Cb -0.15 -2.02 -0.02 0.00 0.02 0.00 0.00 46.19 44.02 3kd4 s LEU 202 CO -0.08 0.31 -0.18 -0.13 0.02 0.00 0.00 176.35 176.29 3kd4 s ARG 203 N -1.38 1.29 -1.17 1.70 0.52 -1.26 -0.81 118.95 117.84 3kd4 s ARG 203 Ca 0.18 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 54.55 3kd4 s ARG 203 Cb -0.12 -1.32 -0.02 0.00 0.52 0.00 0.00 34.95 34.01 3kd4 s ARG 203 CO 0.09 0.35 0.83 0.09 0.02 0.00 0.00 175.30 176.67 3kd4 n ASN 204 N 2.17 -4.07 -4.67 0.23 3.02 -0.02 -4.93 115.26 106.99 3kd4 n ASN 204 Ca -0.16 -0.81 -0.43 0.00 -0.03 0.00 0.00 54.58 53.15 3kd4 n ASN 204 Cb 0.54 -4.38 -0.02 0.00 -0.61 0.00 0.00 39.78 35.30 3kd4 n ASN 204 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kd4 s ILE 205 N -3.49 4.32 0.70 2.41 1.01 0.65 -4.92 121.20 121.88 3kd4 s ILE 205 Ca 0.27 1.61 -0.16 0.00 0.00 0.00 0.00 60.65 62.37 3kd4 s ILE 205 Cb -0.06 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.39 3kd4 s ILE 205 CO 0.79 -0.12 1.20 -2.16 0.00 0.00 0.00 174.94 174.66 3kd4 s PRO 206 N 3.22 2.30 0.56 2.79 0.04 -1.26 -1.37 135.00 141.28 3kd4 s PRO 206 Ca 0.54 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 63.13 3kd4 s PRO 206 Cb -0.21 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 3kd4 s PRO 206 CO 0.15 -1.71 1.09 0.00 0.04 0.00 0.00 177.00 176.57 3kd4 n ALA 207 N -2.52 0.58 -1.34 8.56 0.00 -1.26 -4.60 120.51 119.93 3kd4 n ALA 207 Ca 0.13 0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 3kd4 n ALA 207 Cb 0.50 -2.18 0.08 0.00 0.00 0.00 0.00 19.45 17.85 3kd4 n ALA 207 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kd4 s SER 208 N -1.09 4.48 0.37 0.00 1.04 0.13 -4.93 113.70 113.70 3kd4 s SER 208 Ca 0.73 2.13 -0.25 0.00 0.48 0.00 0.00 55.95 59.04 3kd4 s SER 208 Cb -0.44 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.03 3kd4 s SER 208 CO 0.49 -2.06 1.02 -0.55 0.98 0.00 0.00 173.24 173.12 3kd4 s SER 209 N -2.49 6.97 0.00 7.02 0.15 -1.26 -4.88 113.70 119.21 3kd4 s SER 209 Ca 0.69 2.00 0.29 0.00 0.70 0.00 0.00 55.95 59.63 3kd4 s SER 209 Cb -0.23 -2.59 1.35 0.00 -1.71 0.00 0.00 66.02 62.84 3kd4 s SER 209 CO 0.46 -0.34 1.93 0.54 1.20 0.00 0.00 173.24 177.03 3kd4 n ARG 210 N 0.21 0.77 -1.62 5.44 1.74 -1.26 -4.93 116.66 117.01 3kd4 n ARG 210 Ca 0.04 -0.22 -0.45 0.00 -0.77 0.00 0.00 57.85 56.44 3kd4 n ARG 210 Cb 0.49 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 3kd4 n ARG 210 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kd4 n GLU 211 N -0.93 1.57 -1.63 5.56 1.02 -1.26 -4.98 120.64 120.00 3kd4 n GLU 211 Ca 0.16 0.56 -0.30 0.00 -0.02 0.00 0.00 57.16 57.55 3kd4 n GLU 211 Cb 0.25 -2.06 0.07 0.00 -0.02 0.00 0.00 31.44 29.68 3kd4 n GLU 211 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kd4 s ALA 212 N -0.59 2.53 -1.75 0.62 0.00 -1.26 -4.22 121.76 117.10 3kd4 s ALA 212 Ca 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3kd4 s ALA 212 Cb -0.71 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3kd4 s ALA 212 CO 0.56 -1.42 0.00 1.19 0.00 0.00 0.00 175.76 176.09 3kd4 n PHE 213 N -3.23 -1.02 -1.35 0.00 3.72 -1.26 -4.94 117.46 109.37 3kd4 n PHE 213 Ca 0.07 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.16 3kd4 n PHE 213 Cb 0.55 -3.89 0.08 0.00 -0.94 0.00 0.00 39.48 35.29 3kd4 n PHE 213 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3kd4 s GLN 214 N -5.02 2.38 0.41 -1.08 -0.21 -1.26 -0.61 119.66 114.27 3kd4 s GLN 214 Ca 0.00 1.07 -0.26 0.00 0.02 0.00 0.00 55.36 56.19 3kd4 s GLN 214 Cb 0.00 -1.92 -0.10 0.00 1.00 0.00 0.00 33.01 31.99 3kd4 s GLN 214 CO 0.00 -1.52 1.37 -2.30 -2.12 0.00 0.00 175.29 170.71 3kd4 n PRO 215 N -3.43 2.20 -0.30 2.91 -0.02 -1.26 -4.66 135.00 130.44 3kd4 n PRO 215 Ca 0.08 0.78 0.07 0.00 -2.02 0.00 0.00 63.50 62.42 3kd4 n PRO 215 Cb 0.53 -2.51 0.23 0.00 -0.02 0.00 0.00 33.50 31.73 3kd4 n PRO 215 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kd4 h LYS 216 N 2.37 0.64 -4.67 -0.52 3.64 -1.96 -3.32 116.57 112.76 3kd4 h LYS 216 Ca -0.49 -0.04 -0.69 0.00 -1.27 0.00 0.00 60.65 58.16 3kd4 h LYS 216 Cb 1.28 -0.14 -0.32 0.00 -0.41 0.00 0.00 32.23 32.63 3kd4 h LYS 216 CO 0.61 0.42 -0.63 -0.80 -2.27 0.00 0.00 179.45 176.78 3kd4 s ASN 217 N -5.45 5.12 -0.29 4.20 0.01 -1.26 -5.08 114.94 112.20 3kd4 s ASN 217 Ca -0.12 -1.38 -0.23 0.00 -0.71 0.00 0.00 52.86 50.42 3kd4 s ASN 217 Cb 0.22 -1.79 -0.00 0.00 0.41 0.00 0.00 41.25 40.08 3kd4 s ASN 217 CO 0.78 -0.34 0.78 -0.13 -1.51 0.00 0.00 177.10 176.67 3kd4 s ARG 218 N 1.29 4.01 0.21 -0.60 0.52 -1.25 -4.94 118.95 118.18 3kd4 s ARG 218 Ca -0.01 0.63 0.08 0.00 -0.52 0.00 0.00 55.73 55.90 3kd4 s ARG 218 Cb -0.20 -3.71 0.12 0.00 0.52 0.00 0.00 34.95 31.68 3kd4 s ARG 218 CO -0.00 -0.63 1.47 0.93 0.02 0.00 0.00 175.30 177.09 3kd4 h GLU 219 N 8.03 0.04 -0.83 3.54 3.07 -1.98 -2.81 114.58 123.65 3kd4 h GLU 219 Ca -0.24 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.57 3kd4 h GLU 219 Cb 1.10 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3kd4 h GLU 219 CO 0.87 0.80 0.01 0.00 -1.40 0.00 0.00 179.01 179.28 3kd4 n ALA 220 N -2.41 3.11 -3.21 3.43 0.00 -1.26 -3.47 120.51 116.69 3kd4 n ALA 220 Ca -0.01 -0.81 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 3kd4 n ALA 220 Cb 0.75 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 3kd4 n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kd4 s SER 221 N -0.31 5.18 0.21 0.00 0.15 -1.06 -4.89 113.70 112.98 3kd4 s SER 221 Ca 0.23 -0.90 -0.32 0.00 0.70 0.00 0.00 55.95 55.67 3kd4 s SER 221 Cb 0.18 -1.87 -0.11 0.00 -1.71 0.00 0.00 66.02 62.50 3kd4 s SER 221 CO 0.07 -0.25 1.66 -2.84 1.20 0.00 0.00 173.24 173.08 3kd4 s PRO 222 N 1.45 4.15 -0.01 5.44 0.02 -1.26 -4.58 135.00 140.22 3kd4 s PRO 222 Ca 0.01 2.54 0.01 0.00 0.02 0.00 0.00 61.00 63.57 3kd4 s PRO 222 Cb -0.18 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.26 3kd4 s PRO 222 CO 0.02 -0.69 -0.02 -1.01 -0.33 0.00 0.00 177.00 174.97 3kd4 s HIS 223 N 0.95 0.26 -0.23 6.54 3.76 0.46 -0.88 115.29 126.15 3kd4 s HIS 223 Ca 0.71 -0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 55.47 3kd4 s HIS 223 Cb -0.48 -0.22 -0.05 0.00 1.11 0.00 0.00 32.58 32.95 3kd4 s HIS 223 CO 0.35 -0.03 0.23 -1.17 -0.85 0.00 0.00 174.74 173.26 3kd4 s LEU 224 N 0.19 4.13 -0.07 0.89 2.96 -0.19 -0.21 118.68 126.37 3kd4 s LEU 224 Ca -0.02 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 3kd4 s LEU 224 Cb -0.04 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.43 3kd4 s LEU 224 CO -0.00 0.02 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.19 3kd4 s VAL 225 N 1.13 1.49 0.04 1.68 1.01 -0.23 -0.05 120.40 125.47 3kd4 s VAL 225 Ca 0.11 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 3kd4 s VAL 225 Cb -0.14 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 34.99 3kd4 s VAL 225 CO 0.05 0.43 0.61 0.00 0.00 0.00 0.00 175.10 176.20 3kd4 s ALA 226 N 0.42 -1.60 -0.16 5.51 0.00 -0.63 -0.52 121.76 124.78 3kd4 s ALA 226 Ca -0.13 0.89 -0.20 0.00 0.00 0.00 0.00 51.96 52.52 3kd4 s ALA 226 Cb -0.16 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.37 3kd4 s ALA 226 CO 0.05 -0.52 0.53 0.45 0.00 0.00 0.00 175.76 176.27 3kd4 s SER 227 N -1.84 -0.53 0.00 0.00 0.15 -0.09 -0.38 113.70 111.01 3kd4 s SER 227 Ca -0.06 0.92 0.17 0.00 0.70 0.00 0.00 55.95 57.68 3kd4 s SER 227 Cb -0.01 0.94 0.42 0.00 -1.71 0.00 0.00 66.02 65.66 3kd4 s SER 227 CO 0.00 -0.28 1.34 0.35 1.20 0.00 0.00 173.24 175.85 3kd4 n THR 228 N 2.35 0.80 -1.09 6.45 -2.24 -0.16 -1.31 114.28 119.08 3kd4 n THR 228 Ca -0.15 -0.90 -0.32 0.00 -2.27 0.00 0.00 64.05 60.41 3kd4 n THR 228 Cb 0.56 0.67 0.12 0.00 -2.10 0.00 0.00 70.33 69.58 3kd4 n THR 228 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3kd4 s TYR 229 N -1.09 2.13 0.45 4.78 2.02 -1.26 -4.59 117.35 119.79 3kd4 s TYR 229 Ca 0.34 1.66 0.16 0.00 -0.37 0.00 0.00 57.07 58.86 3kd4 s TYR 229 Cb 0.18 -3.23 1.08 0.00 -0.40 0.00 0.00 41.96 39.60 3kd4 s TYR 229 CO 0.25 -2.29 2.02 -1.35 -1.57 0.00 0.00 175.55 172.60 3kd4 h PRO 230 N -1.25 0.00 -2.30 -1.71 0.11 -1.93 -3.46 132.00 121.46 3kd4 h PRO 230 Ca -0.44 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.82 3kd4 h PRO 230 Cb 1.25 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 3kd4 h PRO 230 CO 0.47 0.16 0.49 -1.54 -0.21 0.00 0.00 178.00 177.37 3kd4 s SER 231 N -6.92 -0.26 0.23 -2.05 1.04 -1.26 -4.99 113.70 99.49 3kd4 s SER 231 Ca -0.04 -0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.09 3kd4 s SER 231 Cb 0.16 0.44 0.27 0.00 0.10 0.00 0.00 66.02 66.98 3kd4 s SER 231 CO 0.68 -0.77 1.85 1.23 0.98 0.00 0.00 173.24 177.21 3kd4 h GLY 232 N 2.00 1.18 0.99 7.32 0.00 -1.32 -0.82 103.07 112.42 3kd4 h GLY 232 Ca -0.23 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 3kd4 h GLY 232 CO 0.28 0.29 0.32 1.70 0.00 0.00 0.00 176.54 179.13 3kd4 h LYS 233 N 0.95 0.70 -0.74 4.80 3.64 -1.85 -1.98 116.57 122.10 3kd4 h LYS 233 Ca 0.33 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3kd4 h LYS 233 Cb 0.08 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3kd4 h LYS 233 CO -0.14 0.50 0.34 0.00 -2.27 0.00 0.00 179.45 177.88 3kd4 h ALA 234 N 1.16 1.20 -0.19 5.00 0.00 -1.78 0.01 119.26 124.67 3kd4 h ALA 234 Ca 0.19 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kd4 h ALA 234 Cb -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3kd4 h ALA 234 CO -0.04 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.78 3kd4 h ALA 235 N 1.31 0.14 -0.67 0.00 0.00 -0.80 0.14 119.26 119.39 3kd4 h ALA 235 Ca 0.25 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3kd4 h ALA 235 Cb 0.13 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3kd4 h ALA 235 CO -0.03 -0.46 0.17 -0.07 0.00 0.00 0.00 179.25 178.86 3kd4 h LEU 236 N 0.02 0.98 -0.55 0.00 3.38 -1.06 -1.56 115.31 116.52 3kd4 h LEU 236 Ca 0.09 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3kd4 h LEU 236 Cb 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3kd4 h LEU 236 CO -0.18 0.94 -0.15 0.00 0.09 0.00 0.00 178.44 179.14 3kd4 h ALA 237 N 1.19 0.75 -0.51 1.53 0.00 -0.70 -0.49 119.26 121.03 3kd4 h ALA 237 Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kd4 h ALA 237 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3kd4 h ALA 237 CO -0.00 0.67 0.33 1.15 0.00 0.00 0.00 179.25 181.40 3kd4 h THR 238 N 0.89 1.13 -0.37 0.00 2.02 -0.51 -0.78 112.91 115.31 3kd4 h THR 238 Ca 0.13 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.08 3kd4 h THR 238 Cb 0.72 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3kd4 h THR 238 CO 0.05 0.13 0.18 0.25 0.37 0.00 0.00 175.52 176.50 3kd4 h LEU 239 N 0.69 0.26 -0.61 2.58 5.85 -0.86 -2.05 115.31 121.16 3kd4 h LEU 239 Ca 0.19 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.96 3kd4 h LEU 239 Cb -0.07 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3kd4 h LEU 239 CO -0.04 0.19 0.36 -0.78 -0.34 0.00 0.00 178.44 177.83 3kd4 h ASP 240 N 0.37 0.57 -0.66 1.25 3.58 -0.83 0.13 116.42 120.83 3kd4 h ASP 240 Ca 0.15 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 3kd4 h ASP 240 Cb 0.07 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 3kd4 h ASP 240 CO -0.11 0.39 0.39 0.11 -2.88 0.00 0.00 179.24 177.14 3kd4 h LYS 241 N 0.70 0.89 -0.32 0.28 1.57 -0.79 -0.90 116.57 117.99 3kd4 h LYS 241 Ca 0.25 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 3kd4 h LYS 241 Cb 0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3kd4 h LYS 241 CO -0.12 0.64 -0.30 0.00 -0.57 0.00 0.00 179.45 179.10 3kd4 h ARG 242 N 0.89 0.68 -0.85 3.15 3.08 -0.89 -2.41 114.38 118.04 3kd4 h ARG 242 Ca 0.24 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kd4 h ARG 242 Cb -0.02 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 3kd4 h ARG 242 CO -0.04 0.90 0.52 -0.07 -1.07 0.00 0.00 179.97 180.20 3kd4 h LEU 243 N 0.58 1.01 -0.13 3.04 3.38 -0.12 -2.66 115.31 120.42 3kd4 h LEU 243 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kd4 h LEU 243 Cb 0.80 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kd4 h LEU 243 CO 0.07 0.77 -0.06 0.29 0.09 0.00 0.00 178.44 179.59 3kd4 n LYS 244 N -4.37 0.60 0.02 1.13 5.02 -0.40 -4.06 118.16 116.09 3kd4 n LYS 244 Ca 0.09 -0.13 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 3kd4 n LYS 244 Cb 0.06 -1.50 0.41 0.00 -0.02 0.00 0.00 35.03 33.98 3kd4 n LYS 244 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3kd4 h GLU 245 N 0.31 0.50 -6.82 1.97 5.08 -1.07 -3.42 114.58 111.13 3kd4 h GLU 245 Ca 0.00 -0.05 -0.48 0.00 -1.00 0.00 0.00 59.36 57.84 3kd4 h GLU 245 Cb 0.31 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3kd4 h GLU 245 CO 0.00 0.38 0.31 -1.54 -1.00 0.00 0.00 179.01 177.16 3kd4 s SER 246 N -6.72 7.34 0.43 1.42 1.04 -1.26 -4.98 113.70 110.97 3kd4 s SER 246 Ca -0.08 1.80 0.13 0.00 0.48 0.00 0.00 55.95 58.27 3kd4 s SER 246 Cb 0.17 -2.56 0.93 0.00 0.10 0.00 0.00 66.02 64.65 3kd4 s SER 246 CO 0.73 -0.02 1.97 0.06 0.98 0.00 0.00 173.24 176.96 3kd4 h GLN 247 N 3.34 0.09 -3.28 4.02 -0.00 -1.95 -3.47 115.11 113.85 3kd4 h GLN 247 Ca -0.47 -0.02 -0.34 0.00 -0.00 0.00 0.00 58.65 57.83 3kd4 h GLN 247 Cb 1.19 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 28.64 3kd4 h GLN 247 CO 0.65 0.25 -0.43 0.41 -0.00 0.00 0.00 178.83 179.71 3kd4 n GLY 248 N -0.98 -0.39 0.14 0.06 0.00 -1.26 -4.88 105.19 97.89 3kd4 n GLY 248 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3kd4 n GLY 248 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kd4 h TYR 249 N 0.00 -0.24 -0.68 1.61 3.20 -2.00 -0.93 116.97 117.92 3kd4 h TYR 249 Ca -0.40 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.47 3kd4 h TYR 249 Cb 1.29 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.63 3kd4 h TYR 249 CO 0.62 -0.15 0.38 1.49 -1.64 0.00 0.00 178.16 178.87 3kd4 h GLU 250 N -0.16 0.95 -0.57 1.82 4.81 -1.98 -1.12 114.58 118.32 3kd4 h GLU 250 Ca 0.04 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3kd4 h GLU 250 Cb 0.21 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3kd4 h GLU 250 CO -0.10 0.70 0.29 0.77 -0.73 0.00 0.00 179.01 179.94 3kd4 h SER 251 N 0.94 0.73 -0.32 1.04 0.02 -1.83 0.36 113.55 114.48 3kd4 h SER 251 Ca 0.24 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3kd4 h SER 251 Cb 0.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3kd4 h SER 251 CO -0.04 0.63 0.04 0.11 -1.14 0.00 0.00 176.83 176.43 3kd4 h LYS 252 N 0.77 0.53 -0.27 3.45 1.57 -1.00 -1.32 116.57 120.30 3kd4 h LYS 252 Ca 0.20 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3kd4 h LYS 252 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3kd4 h LYS 252 CO -0.03 0.64 0.03 1.15 -0.57 0.00 0.00 179.45 180.66 3kd4 h THR 253 N 0.35 1.24 -0.85 -0.16 2.02 -0.87 -2.21 112.91 112.43 3kd4 h THR 253 Ca 0.10 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.48 3kd4 h THR 253 Cb 0.37 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 3kd4 h THR 253 CO 0.01 0.27 0.54 0.15 0.37 0.00 0.00 175.52 176.86 3kd4 h PHE 254 N 0.27 1.00 -0.60 3.16 3.57 -0.28 -0.66 116.94 123.40 3kd4 h PHE 254 Ca 0.08 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3kd4 h PHE 254 Cb 0.37 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3kd4 h PHE 254 CO 0.03 0.55 0.39 0.00 -2.23 0.00 0.00 178.31 177.04 3kd4 h ALA 255 N 1.38 0.77 -0.13 2.41 0.00 -0.98 0.64 119.26 123.34 3kd4 h ALA 255 Ca 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3kd4 h ALA 255 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kd4 h ALA 255 CO -0.14 0.16 0.02 1.96 0.00 0.00 0.00 179.25 181.25 3kd4 h GLN 256 N 0.78 0.22 -0.89 0.00 4.20 -0.83 -2.45 115.11 116.14 3kd4 h GLN 256 Ca 0.23 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.96 3kd4 h GLN 256 Cb -0.05 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.64 3kd4 h GLN 256 CO -0.07 0.42 0.55 0.74 -0.67 0.00 0.00 178.83 179.80 3kd4 h PHE 257 N -0.01 1.01 0.00 2.96 0.04 -0.90 -0.51 116.94 119.52 3kd4 h PHE 257 Ca 0.04 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 3kd4 h PHE 257 Cb 0.31 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3kd4 h PHE 257 CO 0.02 0.47 -0.26 -0.07 -0.60 0.00 0.00 178.31 177.87 3kd4 h LEU 258 N 0.96 0.00 -2.41 1.54 3.38 -0.67 -3.22 115.31 114.88 3kd4 h LEU 258 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3kd4 h LEU 258 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kd4 h LEU 258 CO -0.21 0.26 0.00 0.35 0.09 0.00 0.00 178.44 178.93 3kd4 n THR 259 N -3.75 0.70 -0.25 0.22 -2.24 -0.91 -4.72 114.28 103.34 3kd4 n THR 259 Ca -0.01 -0.85 0.01 0.00 -2.27 0.00 0.00 64.05 60.93 3kd4 n THR 259 Cb 0.36 0.67 0.14 0.00 -2.10 0.00 0.00 70.33 69.40 3kd4 n THR 259 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kd4 h ASP 260 N 0.48 0.49 -0.23 3.42 3.32 -1.12 -2.95 116.42 119.82 3kd4 h ASP 260 Ca 0.00 0.06 -0.18 0.00 0.02 0.00 0.00 57.03 56.93 3kd4 h ASP 260 Cb 0.42 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3kd4 h ASP 260 CO 0.00 0.28 -0.53 0.11 -1.72 0.00 0.00 179.24 177.38 3kd4 h LYS 261 N 0.62 0.82 -6.54 3.56 6.56 -1.84 -3.48 116.57 116.28 3kd4 h LYS 261 Ca 0.35 -0.51 -0.60 0.00 -1.06 0.00 0.00 60.65 58.83 3kd4 h LYS 261 Cb 0.35 0.06 0.11 0.00 -0.57 0.00 0.00 32.23 32.18 3kd4 h LYS 261 CO -0.26 1.14 0.19 -1.13 -2.06 0.00 0.00 179.45 177.34 3kd4 n SER 262 N -4.00 1.53 0.00 0.86 3.41 -1.12 -4.98 113.62 109.31 3kd4 n SER 262 Ca -0.04 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 3kd4 n SER 262 Cb 0.62 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 3kd4 n SER 262 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kd4 n GLY 263 N 1.14 -0.88 3.92 5.00 0.00 -1.26 -4.96 105.19 108.16 3kd4 n GLY 263 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 3kd4 n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kd4 s ASN 264 N -1.61 5.77 0.39 1.61 2.20 -1.26 -4.96 114.94 117.08 3kd4 s ASN 264 Ca 0.00 0.66 0.07 0.00 -0.94 0.00 0.00 52.86 52.64 3kd4 s ASN 264 Cb 0.00 -1.77 0.78 0.00 -2.00 0.00 0.00 41.25 38.26 3kd4 s ASN 264 CO 0.00 -0.89 1.99 -0.33 -2.94 0.00 0.00 177.10 174.93 3kd4 h GLU 265 N 0.03 0.50 -0.57 3.55 5.08 -1.99 -2.32 114.58 118.85 3kd4 h GLU 265 Ca -0.46 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 57.78 3kd4 h GLU 265 Cb 1.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3kd4 h GLU 265 CO 0.60 0.41 0.09 0.37 -1.00 0.00 0.00 179.01 179.48 3kd4 h GLN 266 N 0.50 0.91 -0.72 2.33 5.75 -1.96 -2.16 115.11 119.76 3kd4 h GLN 266 Ca 0.12 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.36 3kd4 h GLN 266 Cb 0.10 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3kd4 h GLN 266 CO -0.01 0.85 0.26 1.49 -2.65 0.00 0.00 178.83 178.76 3kd4 h GLU 267 N 0.86 1.10 -0.52 1.69 4.81 -1.80 -0.90 114.58 119.82 3kd4 h GLU 267 Ca 0.18 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3kd4 h GLU 267 Cb 0.38 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3kd4 h GLU 267 CO 0.01 0.92 0.31 0.87 -0.73 0.00 0.00 179.01 180.39 3kd4 h LYS 268 N 1.05 0.70 -0.39 1.92 1.57 -1.23 -0.35 116.57 119.84 3kd4 h LYS 268 Ca 0.24 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3kd4 h LYS 268 Cb 0.26 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3kd4 h LYS 268 CO -0.01 0.51 0.25 0.28 -0.57 0.00 0.00 179.45 179.91 3kd4 h VAL 269 N 0.70 1.08 -0.71 0.50 2.07 -1.02 -2.13 116.25 116.73 3kd4 h VAL 269 Ca 0.19 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3kd4 h VAL 269 Cb -0.01 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3kd4 h VAL 269 CO -0.04 0.09 0.42 0.78 0.02 0.00 0.00 177.57 178.84 3kd4 h ASN 270 N 0.51 0.87 -0.28 0.57 2.35 -0.65 0.42 115.58 119.36 3kd4 h ASN 270 Ca 0.15 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3kd4 h ASN 270 Cb -0.03 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3kd4 h ASN 270 CO -0.05 0.69 0.18 0.40 -1.65 0.00 0.00 177.43 177.00 3kd4 h ILE 271 N 0.97 1.09 0.15 2.81 2.04 -0.90 -0.31 117.51 123.35 3kd4 h ILE 271 Ca 0.25 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3kd4 h ILE 271 Cb -0.01 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3kd4 h ILE 271 CO -0.05 0.08 -0.07 0.40 0.00 0.00 0.00 178.15 178.52 3kd4 h ILE 272 N 0.37 1.01 -0.44 -0.67 1.08 -0.98 -0.09 117.51 117.78 3kd4 h ILE 272 Ca 0.10 -0.84 0.08 0.00 -0.39 0.00 0.00 64.86 63.81 3kd4 h ILE 272 Cb -0.02 1.51 -0.07 0.00 -3.07 0.00 0.00 36.82 35.18 3kd4 h ILE 272 CO -0.02 0.19 0.04 -0.09 -0.69 0.00 0.00 178.15 177.58 3kd4 h ARG 273 N -0.61 0.15 -0.52 2.37 2.43 -0.93 -1.65 114.38 115.62 3kd4 h ARG 273 Ca -0.02 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 3kd4 h ARG 273 Cb 0.46 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3kd4 h ARG 273 CO 0.03 0.10 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.02 3kd4 h ASP 274 N 0.16 1.02 -0.63 -3.80 3.32 -0.99 0.25 116.42 115.74 3kd4 h ASP 274 Ca 0.22 -0.36 0.07 0.00 0.02 0.00 0.00 57.03 56.97 3kd4 h ASP 274 Cb 0.30 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 3kd4 h ASP 274 CO -0.33 1.15 0.31 -0.74 -1.72 0.00 0.00 179.24 177.92 3kd4 h HIS 275 N 0.87 0.57 -0.10 4.55 2.76 -0.61 0.10 115.15 123.30 3kd4 h HIS 275 Ca 0.13 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 3kd4 h HIS 275 Cb 0.71 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 3kd4 h HIS 275 CO 0.05 0.24 -0.06 0.82 -1.30 0.00 0.00 177.93 177.68 3kd4 h ILE 276 N 0.57 1.33 -0.99 6.26 2.04 -0.99 -2.17 117.51 123.56 3kd4 h ILE 276 Ca 0.29 -1.12 0.06 0.00 1.00 0.00 0.00 64.86 65.09 3kd4 h ILE 276 Cb 0.25 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 3kd4 h ILE 276 CO -0.22 0.32 0.64 -0.07 0.00 0.00 0.00 178.15 178.82 3kd4 h LEU 277 N -0.15 1.04 -0.05 1.44 3.38 -0.78 -1.16 115.31 119.03 3kd4 h LEU 277 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kd4 h LEU 277 Cb 0.53 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3kd4 h LEU 277 CO 0.02 0.68 0.00 0.78 0.09 0.00 0.00 178.44 180.00 3kd4 h ASN 278 N 1.19 0.00 0.00 -0.43 2.35 -0.72 -3.38 115.58 114.59 3kd4 h ASN 278 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 3kd4 h ASN 278 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3kd4 h ASN 278 CO -0.16 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.21 3kd4 n ASN 279 N -2.81 0.13 -4.16 5.81 3.02 -0.82 -5.00 115.26 111.42 3kd4 n ASN 279 Ca 0.04 -0.54 -0.29 0.00 -0.03 0.00 0.00 54.58 53.77 3kd4 n ASN 279 Cb 0.49 0.80 -0.17 0.00 -0.61 0.00 0.00 39.78 40.29 3kd4 n ASN 279 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kd4 s LEU 280 N -1.60 1.94 0.19 3.41 1.02 -0.47 -4.55 118.68 118.62 3kd4 s LEU 280 Ca 0.00 -0.44 -0.03 0.00 0.02 0.00 0.00 54.13 53.68 3kd4 s LEU 280 Cb 0.00 -1.16 -0.05 0.00 0.02 0.00 0.00 46.19 45.00 3kd4 s LEU 280 CO 0.00 0.15 0.40 -0.94 0.02 0.00 0.00 176.35 175.98 3kd4 s SER 281 N 0.25 6.44 -0.17 2.29 1.04 -0.69 -4.76 113.70 118.09 3kd4 s SER 281 Ca -0.11 0.52 -0.17 0.00 0.48 0.00 0.00 55.95 56.66 3kd4 s SER 281 Cb -0.15 -2.06 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 3kd4 s SER 281 CO 0.05 -0.02 0.44 -0.89 0.98 0.00 0.00 173.24 173.80 3kd4 s THR 282 N -1.81 5.19 -0.37 2.02 2.01 -1.26 -1.20 115.64 120.22 3kd4 s THR 282 Ca 0.40 0.82 -0.10 0.00 0.31 0.00 0.00 61.69 63.11 3kd4 s THR 282 Cb -0.11 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.65 3kd4 s THR 282 CO 0.27 0.27 0.19 0.00 -0.69 0.00 0.00 174.62 174.67 3kd4 n PRO 284 N 4.98 3.14 -3.03 0.00 -0.04 -1.26 -3.93 135.00 134.86 3kd4 n PRO 284 Ca -0.12 -2.13 -0.41 0.00 -0.04 0.00 0.00 63.50 60.80 3kd4 n PRO 284 Cb 0.46 -2.84 -0.06 0.00 -0.04 0.00 0.00 33.50 31.02 3kd4 n PRO 284 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kd4 s ILE 285 N 2.74 4.90 0.00 0.52 -1.09 -1.26 -4.86 121.20 122.15 3kd4 s ILE 285 Ca 0.59 1.19 0.00 0.00 -2.23 0.00 0.00 60.65 60.21 3kd4 s ILE 285 Cb 0.16 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 3kd4 s ILE 285 CO -0.05 -0.08 0.00 -2.65 -1.23 0.00 0.00 174.94 170.93 3kd4 n PRO 286 N 5.91 3.16 -3.40 2.79 -0.02 -1.26 -4.82 135.00 137.36 3kd4 n PRO 286 Ca 0.02 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.28 3kd4 n PRO 286 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.92 3kd4 n PRO 286 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kd4 n ALA 288 N -3.00 -1.02 0.00 3.55 0.00 -1.26 -4.87 120.51 113.91 3kd4 n ALA 288 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3kd4 n ALA 288 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3kd4 n ALA 288 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kd4 n THR 290 N -3.09 0.00 -2.31 0.00 -2.24 -1.26 -4.57 114.28 100.82 3kd4 n THR 290 Ca 0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.63 3kd4 n THR 290 Cb 0.43 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 3kd4 n THR 290 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kd4 n GLY 291 N 0.00 -0.22 3.71 3.38 0.00 -1.26 -2.50 105.19 108.30 3kd4 n GLY 291 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3kd4 n GLY 291 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kd4 n TYR 292 N -3.84 -2.37 -4.51 1.61 4.01 -1.26 -4.76 117.16 106.04 3kd4 n TYR 292 Ca -0.24 0.93 -0.24 0.00 -0.16 0.00 0.00 57.90 58.18 3kd4 n TYR 292 Cb 0.69 -4.52 -0.09 0.00 -0.31 0.00 0.00 39.34 35.10 3kd4 n TYR 292 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3kd4 s THR 293 N -3.40 0.91 0.13 -0.72 -4.23 -1.04 -4.96 115.64 102.33 3kd4 s THR 293 Ca 0.41 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.97 3kd4 s THR 293 Cb -0.19 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 3kd4 s THR 293 CO 0.78 0.00 -0.13 0.68 -0.54 0.00 0.00 174.62 175.41 3kd4 s VAL 294 N -3.22 1.30 0.87 2.29 -7.23 -1.26 -4.88 120.40 108.26 3kd4 s VAL 294 Ca 0.28 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 3kd4 s VAL 294 Cb 0.05 -1.57 0.12 0.00 0.56 0.00 0.00 36.38 35.54 3kd4 s VAL 294 CO 0.14 -0.47 1.10 -0.13 -0.31 0.00 0.00 175.10 175.43 3kd4 s ARG 295 N -2.83 1.42 0.07 4.82 0.52 -1.26 -4.94 118.95 116.76 3kd4 s ARG 295 Ca 0.10 1.13 -0.37 0.00 -0.52 0.00 0.00 55.73 56.07 3kd4 s ARG 295 Cb -0.04 -1.80 -0.17 0.00 0.52 0.00 0.00 34.95 33.46 3kd4 s ARG 295 CO 0.03 -2.22 1.37 -3.47 0.02 0.00 0.00 175.30 171.03 3kd4 n ASP 296 N -3.91 1.74 -0.03 0.23 2.03 -1.26 -4.79 116.55 110.57 3kd4 n ASP 296 Ca 0.09 1.12 -0.01 0.00 0.52 0.00 0.00 54.79 56.50 3kd4 n ASP 296 Cb 0.54 -1.20 0.26 0.00 -0.72 0.00 0.00 41.12 40.00 3kd4 n ASP 296 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3kd4 h ILE 297 N 3.43 1.21 -0.17 5.18 1.08 -1.92 -0.35 117.51 125.98 3kd4 h ILE 297 Ca -0.48 -0.86 -0.04 0.00 -0.39 0.00 0.00 64.86 63.09 3kd4 h ILE 297 Cb 1.33 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 3kd4 h ILE 297 CO 0.79 0.30 -0.07 0.44 -0.69 0.00 0.00 178.15 178.91 3kd4 h ASP 298 N 0.56 0.23 -0.32 1.72 3.32 -1.91 -1.57 116.42 118.45 3kd4 h ASP 298 Ca 0.12 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 3kd4 h ASP 298 Cb 0.37 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3kd4 h ASP 298 CO 0.01 0.34 -0.47 0.74 -1.72 0.00 0.00 179.24 178.15 3kd4 h THR 299 N 0.24 1.27 0.24 0.35 2.02 -1.45 -1.82 112.91 113.77 3kd4 h THR 299 Ca 0.05 -1.65 0.01 0.00 0.77 0.00 0.00 66.41 65.59 3kd4 h THR 299 Cb 0.29 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 3kd4 h THR 299 CO 0.01 0.54 -0.33 0.58 0.37 0.00 0.00 175.52 176.70 3kd4 h VAL 300 N 0.71 0.31 -0.36 3.16 2.07 -1.02 -0.74 116.25 120.38 3kd4 h VAL 300 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 3kd4 h VAL 300 Cb 1.07 0.31 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 3kd4 h VAL 300 CO 0.11 0.00 -0.40 0.25 0.02 0.00 0.00 177.57 177.55 3kd4 h LEU 301 N -0.63 -1.31 -1.66 2.57 5.85 -1.23 -1.51 115.31 117.38 3kd4 h LEU 301 Ca 0.00 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3kd4 h LEU 301 Cb 0.61 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3kd4 h LEU 301 CO -0.12 -0.37 -0.18 0.03 -0.34 0.00 0.00 178.44 177.47 3kd4 h ARG 302 N -0.34 0.00 0.00 1.25 3.08 -1.16 -3.18 114.38 114.04 3kd4 h ARG 302 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3kd4 h ARG 302 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3kd4 h ARG 302 CO -0.53 0.18 -0.04 0.66 -1.07 0.00 0.00 179.97 179.17 3kd4 h SER 303 N 0.00 0.00 -0.26 7.04 4.64 -0.06 -3.48 113.55 121.44 3kd4 h SER 303 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3kd4 h SER 303 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 3kd4 h SER 303 CO 0.02 0.04 -0.10 0.00 -0.87 0.00 0.00 176.83 175.92 3kd4 n ALA 304 N -2.11 -0.08 -2.58 5.18 0.00 -1.11 -5.00 120.51 114.81 3kd4 n ALA 304 Ca 0.04 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 3kd4 n ALA 304 Cb 0.53 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 3kd4 n ALA 304 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3kd4 s TYR 305 N -1.93 0.33 0.04 0.00 -0.85 -1.26 -1.71 117.35 111.97 3kd4 s TYR 305 Ca 0.00 -0.71 -0.25 0.00 -0.52 0.00 0.00 57.07 55.58 3kd4 s TYR 305 Cb 0.00 -0.25 0.06 0.00 0.38 0.00 0.00 41.96 42.16 3kd4 s TYR 305 CO 0.00 -0.31 0.59 0.20 -1.52 0.00 0.00 175.55 174.50 3kd4 s GLY 306 N -2.19 -0.52 0.79 5.49 0.00 -0.34 -4.86 107.32 105.69 3kd4 s GLY 306 Ca -0.04 0.81 -0.11 0.00 0.00 0.00 0.00 44.72 45.38 3kd4 s GLY 306 CO -0.05 0.48 1.09 -0.51 0.00 0.00 0.00 173.10 174.11 3kd4 s THR 307 N -2.30 3.26 0.31 0.90 -4.23 -1.25 0.04 115.64 112.37 3kd4 s THR 307 Ca -0.06 0.41 0.07 0.00 -1.18 0.00 0.00 61.69 60.93 3kd4 s THR 307 Cb -0.01 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 71.18 3kd4 s THR 307 CO -0.00 -0.53 1.78 -0.65 -0.54 0.00 0.00 174.62 174.67 3kd4 h PRO 308 N -1.16 0.71 -0.29 3.99 0.11 -1.88 -0.21 132.00 133.27 3kd4 h PRO 308 Ca -0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3kd4 h PRO 308 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3kd4 h PRO 308 CO 0.54 0.47 -0.03 1.25 -0.21 0.00 0.00 178.00 180.02 3kd4 h LEU 309 N 0.73 0.53 -0.49 2.35 5.85 -1.93 -0.25 115.31 122.10 3kd4 h LEU 309 Ca 0.58 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3kd4 h LEU 309 Cb 0.94 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3kd4 h LEU 309 CO -0.38 0.74 0.29 -0.33 -0.34 0.00 0.00 178.44 178.42 3kd4 h GLU 310 N 0.32 0.68 -0.45 1.25 5.08 -1.73 -2.11 114.58 117.62 3kd4 h GLU 310 Ca 0.08 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3kd4 h GLU 310 Cb 0.48 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3kd4 h GLU 310 CO 0.02 0.51 0.01 0.82 -1.00 0.00 0.00 179.01 179.37 3kd4 h ILE 311 N 0.66 1.26 -0.68 3.13 2.04 -0.90 -0.44 117.51 122.57 3kd4 h ILE 311 Ca 0.18 -1.02 0.05 0.00 1.00 0.00 0.00 64.86 65.07 3kd4 h ILE 311 Cb 0.01 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3kd4 h ILE 311 CO -0.03 0.35 0.39 0.00 0.00 0.00 0.00 178.15 178.86 3kd4 h ALA 312 N 0.91 0.91 -0.14 1.87 0.00 -0.95 -1.18 119.26 120.68 3kd4 h ALA 312 Ca 0.13 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 3kd4 h ALA 312 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kd4 h ALA 312 CO 0.02 0.09 -0.72 0.37 0.00 0.00 0.00 179.25 179.01 3kd4 h GLN 313 N 0.73 0.64 -0.21 0.00 5.75 -1.17 -1.72 115.11 119.12 3kd4 h GLN 313 Ca 0.30 -0.50 0.01 0.00 -0.15 0.00 0.00 58.65 58.31 3kd4 h GLN 313 Cb 0.15 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 3kd4 h GLN 313 CO -0.17 1.12 0.12 1.25 -2.65 0.00 0.00 178.83 178.50 3kd4 h LEU 314 N 0.44 0.19 -0.14 -2.39 5.85 -0.78 0.73 115.31 119.23 3kd4 h LEU 314 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3kd4 h LEU 314 Cb 1.32 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3kd4 h LEU 314 CO 0.14 0.14 0.08 0.25 -0.34 0.00 0.00 178.44 178.71 3kd4 h LEU 315 N 0.25 0.17 -0.39 2.25 5.85 -1.22 -2.91 115.31 119.31 3kd4 h LEU 315 Ca 0.08 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3kd4 h LEU 315 Cb -0.00 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3kd4 h LEU 315 CO -0.04 0.19 0.08 -1.13 -0.34 0.00 0.00 178.44 177.19 3kd4 h ASN 316 N 0.13 0.01 0.00 1.25 -1.24 -1.10 0.18 115.58 114.82 3kd4 h ASN 316 Ca 0.05 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.12 3kd4 h ASN 316 Cb 0.06 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.19 3kd4 h ASN 316 CO -0.01 0.04 0.00 0.52 -1.29 0.00 0.00 177.43 176.69 3kd4 n VAL 317 N -5.09 0.00 0.00 2.57 0.31 0.23 -1.41 118.33 114.93 3kd4 n VAL 317 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3kd4 n VAL 317 Cb 0.17 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 3kd4 n VAL 317 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kd4 n LEU 319 N 0.19 0.00 -0.34 7.52 4.77 0.64 -1.36 117.00 128.42 3kd4 n LEU 319 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3kd4 n LEU 319 Cb 0.01 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.22 3kd4 n LEU 319 CO 0.00 0.00 1.25 0.78 -1.33 0.00 0.00 177.39 178.09 3kd4 h ASN 320 N 0.00 1.02 0.29 -1.43 2.35 -1.13 -1.15 115.58 115.54 3kd4 h ASN 320 Ca 0.00 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3kd4 h ASN 320 Cb 0.00 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3kd4 h ASN 320 CO 0.00 0.71 -0.25 0.00 -1.65 0.00 0.00 177.43 176.24 3kd4 h ALA 321 N 1.37 1.51 -0.04 -0.83 0.00 -1.46 -1.88 119.26 117.93 3kd4 h ALA 321 Ca 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kd4 h ALA 321 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kd4 h ALA 321 CO -0.11 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.46 3kd4 n ALA 322 N -2.46 2.60 -0.53 0.00 0.00 -0.60 -4.62 120.51 114.90 3kd4 n ALA 322 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3kd4 n ALA 322 Cb 0.31 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3kd4 n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kd4 n GLY 323 N 0.93 0.69 3.21 0.00 0.00 -0.71 -5.02 105.19 104.29 3kd4 n GLY 323 Ca 0.16 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 3kd4 n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kd4 s ILE 324 N -2.00 3.51 0.10 -0.61 -1.09 -0.54 -5.01 121.20 115.56 3kd4 s ILE 324 Ca 0.00 -1.42 -0.31 0.00 -2.23 0.00 0.00 60.65 56.69 3kd4 s ILE 324 Cb 0.00 -3.10 -0.09 0.00 -1.58 0.00 0.00 42.46 37.69 3kd4 s ILE 324 CO 0.00 -0.30 1.72 -2.84 -1.23 0.00 0.00 174.94 172.29 3kd4 s PRO 325 N 1.31 4.17 0.04 2.79 0.02 -1.26 -2.98 135.00 139.09 3kd4 s PRO 325 Ca -0.00 2.45 -0.04 0.00 0.02 0.00 0.00 61.00 63.43 3kd4 s PRO 325 Cb -0.21 -3.55 -0.02 0.00 0.02 0.00 0.00 34.50 30.75 3kd4 s PRO 325 CO 0.00 -0.77 0.07 -1.12 -0.33 0.00 0.00 177.00 174.85 3kd4 s SER 326 N 2.40 0.22 -0.02 2.53 0.01 -1.26 -0.58 113.70 117.01 3kd4 s SER 326 Ca 0.77 -0.59 -0.13 0.00 1.31 0.00 0.00 55.95 57.31 3kd4 s SER 326 Cb -0.43 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.03 3kd4 s SER 326 CO 0.34 -0.50 0.27 -1.61 0.41 0.00 0.00 173.24 172.16 3kd4 s GLU 327 N -2.64 0.61 0.31 12.44 2.02 -0.56 -4.91 118.70 125.97 3kd4 s GLU 327 Ca -0.05 -0.19 -0.27 0.00 0.02 0.00 0.00 54.97 54.48 3kd4 s GLU 327 Cb -0.01 0.27 -0.09 0.00 0.10 0.00 0.00 34.13 34.39 3kd4 s GLU 327 CO -0.05 -0.16 1.02 0.08 0.02 0.00 0.00 175.26 176.17 3kd4 s VAL 328 N -1.24 3.83 0.01 2.63 1.01 -1.26 -0.73 120.40 124.66 3kd4 s VAL 328 Ca -0.13 1.65 0.08 0.00 0.00 0.00 0.00 61.98 63.59 3kd4 s VAL 328 Cb -0.05 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3kd4 s VAL 328 CO 0.03 0.25 -0.25 -0.76 0.00 0.00 0.00 175.10 174.38 3kd4 s LEU 329 N -1.83 2.10 -0.12 3.92 1.43 0.66 -1.82 118.68 123.02 3kd4 s LEU 329 Ca 0.48 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 3kd4 s LEU 329 Cb -0.25 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 3kd4 s LEU 329 CO 0.32 0.27 0.06 0.00 0.23 0.00 0.00 176.35 177.23 3kd4 s ALA 330 N -0.68 3.52 -0.20 4.21 0.00 0.39 -1.80 121.76 127.20 3kd4 s ALA 330 Ca 0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 3kd4 s ALA 330 Cb -0.09 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 3kd4 s ALA 330 CO 0.00 0.50 -0.07 0.08 0.00 0.00 0.00 175.76 176.28 3kd4 s VAL 331 N -0.64 3.24 0.23 0.00 1.01 -0.14 -0.77 120.40 123.33 3kd4 s VAL 331 Ca 0.11 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.63 3kd4 s VAL 331 Cb -0.12 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3kd4 s VAL 331 CO 0.02 0.45 0.00 -0.31 0.00 0.00 0.00 175.10 175.27 3kd4 s TYR 332 N 1.25 2.77 0.52 5.22 1.51 0.55 -0.08 117.35 129.07 3kd4 s TYR 332 Ca 0.03 -0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 55.68 3kd4 s TYR 332 Cb -0.14 -1.28 -0.07 0.00 -0.11 0.00 0.00 41.96 40.36 3kd4 s TYR 332 CO -0.03 0.57 1.12 -2.30 -1.11 0.00 0.00 175.55 173.80 3kd4 n PRO 333 N -0.57 1.36 0.23 -1.71 -0.02 -1.26 -0.91 135.00 132.12 3kd4 n PRO 333 Ca -0.08 0.50 0.15 0.00 -2.02 0.00 0.00 63.50 62.05 3kd4 n PRO 333 Cb 0.57 -2.27 0.50 0.00 -0.02 0.00 0.00 33.50 32.28 3kd4 n PRO 333 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3kd4 h GLY 334 N 1.22 0.00 -2.89 -1.23 0.00 -1.81 -3.10 103.07 95.25 3kd4 h GLY 334 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3kd4 h GLY 334 CO 0.55 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.51 3kd4 n HIS 335 N -2.90 1.49 -3.34 5.60 8.25 -1.26 -4.79 115.22 118.27 3kd4 n HIS 335 Ca 0.02 -0.66 -0.34 0.00 -0.26 0.00 0.00 57.72 56.48 3kd4 n HIS 335 Cb 0.36 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 3kd4 n HIS 335 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kd4 s LEU 336 N -2.11 4.29 -0.68 2.41 1.43 -1.17 -5.01 118.68 117.84 3kd4 s LEU 336 Ca 0.49 1.07 -0.26 0.00 -1.03 0.00 0.00 54.13 54.41 3kd4 s LEU 336 Cb 0.34 -3.42 0.04 0.00 0.03 0.00 0.00 46.19 43.17 3kd4 s LEU 336 CO 0.21 0.04 1.17 -0.62 0.23 0.00 0.00 176.35 177.37 3kd4 s ASP 337 N -1.89 6.23 0.00 2.29 -1.08 -1.26 -4.87 116.67 116.09 3kd4 s ASP 337 Ca 0.41 -0.47 0.24 0.00 -0.52 0.00 0.00 52.55 52.21 3kd4 s ASP 337 Cb -0.14 -2.52 1.05 0.00 -1.46 0.00 0.00 42.92 39.85 3kd4 s ASP 337 CO 0.20 -1.64 1.77 0.35 0.52 0.00 0.00 175.17 176.37 3kd4 n THR 338 N 6.31 0.34 0.21 1.71 -2.24 -1.26 -1.66 114.28 117.69 3kd4 n THR 338 Ca 0.02 0.09 0.07 0.00 -2.27 0.00 0.00 64.05 61.95 3kd4 n THR 338 Cb 0.48 -0.68 0.45 0.00 -2.10 0.00 0.00 70.33 68.48 3kd4 n THR 338 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kd4 h ASP 339 N 0.00 0.00 -0.44 3.42 3.32 -1.95 -3.27 116.42 117.49 3kd4 h ASP 339 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kd4 h ASP 339 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3kd4 h ASP 339 CO 0.00 0.30 0.00 0.00 -1.72 0.00 0.00 179.24 177.82 3kd4 n ALA 340 N -2.35 2.23 -2.55 3.45 0.00 -0.66 -1.28 120.51 119.34 3kd4 n ALA 340 Ca -0.01 -1.18 -0.26 0.00 0.00 0.00 0.00 53.44 51.99 3kd4 n ALA 340 Cb 0.40 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 3kd4 n ALA 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kd4 n GLY 342 N -0.87 2.22 0.19 0.00 0.00 -1.26 -4.01 105.19 101.45 3kd4 n GLY 342 Ca -0.05 -1.91 0.10 0.00 0.00 0.00 0.00 46.02 44.17 3kd4 n GLY 342 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kd4 h LEU 343 N 0.00 0.00 -1.71 0.99 3.38 -1.93 -3.32 115.31 112.72 3kd4 h LEU 343 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kd4 h LEU 343 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kd4 h LEU 343 CO 0.00 0.08 -0.18 0.00 0.09 0.00 0.00 178.44 178.43 3kd4 h ALA 344 N 1.92 1.44 0.00 1.53 0.00 -1.89 -1.30 119.26 120.95 3kd4 h ALA 344 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kd4 h ALA 344 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kd4 h ALA 344 CO 0.01 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3kd4 n ALA 345 N -2.39 2.37 -2.24 0.00 0.00 -1.25 -4.73 120.51 112.28 3kd4 n ALA 345 Ca -0.02 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 3kd4 n ALA 345 Cb 0.27 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 3kd4 n ALA 345 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kd4 s ILE 346 N -2.69 3.52 -0.20 0.00 1.01 -0.49 -4.39 121.20 117.96 3kd4 s ILE 346 Ca 0.23 1.08 0.15 0.00 0.00 0.00 0.00 60.65 62.11 3kd4 s ILE 346 Cb 0.19 -3.69 -0.23 0.00 0.01 0.00 0.00 42.46 38.74 3kd4 s ILE 346 CO 0.45 0.08 0.02 0.00 0.00 0.00 0.00 174.94 175.49 3kd4 n GLN 347 N 4.06 0.80 -3.81 2.79 10.64 0.88 -5.01 117.38 127.74 3kd4 n GLN 347 Ca 0.11 0.02 -0.09 0.00 -1.83 0.00 0.00 57.00 55.20 3kd4 n GLN 347 Cb 0.43 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.28 3kd4 n GLN 347 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 3kd4 s THR 348 N -2.47 0.02 0.14 -0.39 -4.23 -1.16 -5.01 115.64 102.54 3kd4 s THR 348 Ca -0.14 -0.96 0.10 0.00 -1.18 0.00 0.00 61.69 59.51 3kd4 s THR 348 Cb 0.06 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 3kd4 s THR 348 CO 0.76 -0.11 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.76 3kd4 s LEU 349 N -2.91 2.56 0.28 4.79 1.43 -1.26 -0.96 118.68 122.61 3kd4 s LEU 349 Ca 0.12 -0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 52.49 3kd4 s LEU 349 Cb -0.01 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 3kd4 s LEU 349 CO 0.00 0.16 0.39 0.00 0.23 0.00 0.00 176.35 177.14 3kd4 s ALA 350 N -1.27 0.53 -0.05 4.21 0.00 -0.74 -4.76 121.76 119.68 3kd4 s ALA 350 Ca 0.18 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.83 3kd4 s ALA 350 Cb -0.10 1.19 0.00 0.00 0.00 0.00 0.00 23.12 24.21 3kd4 s ALA 350 CO 0.09 -0.76 -0.16 0.08 0.00 0.00 0.00 175.76 175.01 3kd4 s VAL 351 N -3.67 1.32 -0.15 0.00 1.01 -0.22 -0.24 120.40 118.46 3kd4 s VAL 351 Ca 0.30 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 3kd4 s VAL 351 Cb 0.01 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 3kd4 s VAL 351 CO 0.15 0.39 0.31 -0.75 0.00 0.00 0.00 175.10 175.19 3kd4 s LYS 352 N 0.20 4.22 -0.09 2.72 2.20 0.09 -0.09 119.74 128.98 3kd4 s LYS 352 Ca -0.07 0.14 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 3kd4 s LYS 352 Cb -0.12 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 3kd4 s LYS 352 CO 0.03 0.27 -0.17 0.00 -0.36 0.00 0.00 175.35 175.12 3kd4 s ALA 353 N 0.35 1.71 -0.38 3.13 0.00 0.17 -1.50 121.76 125.24 3kd4 s ALA 353 Ca 0.18 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.25 3kd4 s ALA 353 Cb -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3kd4 s ALA 353 CO 0.05 0.09 0.47 0.99 0.00 0.00 0.00 175.76 177.35 3kd4 s THR 354 N 0.70 5.05 -0.27 0.00 2.01 0.25 -0.78 115.64 122.60 3kd4 s THR 354 Ca -0.13 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 3kd4 s THR 354 Cb -0.16 -3.98 0.05 0.00 0.01 0.00 0.00 72.50 68.42 3kd4 s THR 354 CO 0.03 -0.29 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.92 3kd4 s VAL 355 N 2.27 2.66 -1.42 3.82 1.01 -0.13 -4.07 120.40 124.55 3kd4 s VAL 355 Ca 0.15 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 60.76 3kd4 s VAL 355 Cb -0.16 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.77 3kd4 s VAL 355 CO 0.14 0.03 0.58 0.47 0.00 0.00 0.00 175.10 176.31 3kd4 n ASP 356 N 4.58 -1.22 0.00 3.32 8.00 -1.26 -1.84 116.55 128.12 3kd4 n ASP 356 Ca -0.15 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.42 3kd4 n ASP 356 Cb 0.44 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 3kd4 n ASP 356 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kd4 n GLY 357 N -1.79 0.72 3.03 0.44 0.00 -1.26 -4.99 105.19 101.33 3kd4 n GLY 357 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 3kd4 n GLY 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kd4 s LYS 358 N -0.13 1.84 0.31 1.61 1.02 -0.77 -5.11 119.74 118.51 3kd4 s LYS 358 Ca 0.00 -0.45 -0.27 0.00 0.02 0.00 0.00 55.97 55.27 3kd4 s LYS 358 Cb 0.00 -1.54 -0.09 0.00 -0.52 0.00 0.00 37.83 35.67 3kd4 s LYS 358 CO 0.00 -0.00 0.98 -0.51 -0.92 0.00 0.00 175.35 174.90 3kd4 s ASP 359 N 0.78 7.31 0.08 2.83 1.01 -1.26 -0.95 116.67 126.47 3kd4 s ASP 359 Ca -0.12 1.97 0.03 0.00 0.71 0.00 0.00 52.55 55.14 3kd4 s ASP 359 Cb -0.16 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 3kd4 s ASP 359 CO 0.02 -0.09 -0.10 0.00 0.21 0.00 0.00 175.17 175.21 3kd4 s GLN 360 N -1.81 0.77 -0.12 8.23 -2.07 0.04 -4.94 119.66 119.75 3kd4 s GLN 360 Ca 0.48 -1.04 -0.01 0.00 -1.82 0.00 0.00 55.36 52.97 3kd4 s GLN 360 Cb -0.23 -0.51 -0.03 0.00 -1.09 0.00 0.00 33.01 31.16 3kd4 s GLN 360 CO 0.29 0.09 -0.07 0.71 -1.32 0.00 0.00 175.29 174.99 3kd4 s TYR 361 N -2.06 2.95 -0.20 9.60 2.02 -1.26 -0.66 117.35 127.74 3kd4 s TYR 361 Ca 0.01 -0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 56.43 3kd4 s TYR 361 Cb -0.05 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 3kd4 s TYR 361 CO 0.00 0.06 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.48 3kd4 s LEU 362 N -0.06 2.89 0.16 -1.29 1.02 0.87 -4.87 118.68 117.40 3kd4 s LEU 362 Ca 0.00 -0.36 -0.24 0.00 0.02 0.00 0.00 54.13 53.55 3kd4 s LEU 362 Cb -0.13 -1.72 0.06 0.00 0.02 0.00 0.00 46.19 44.41 3kd4 s LEU 362 CO 0.03 0.02 0.86 -0.94 0.02 0.00 0.00 176.35 176.34 3kd4 s SER 363 N 1.21 -0.26 0.15 2.29 1.04 -1.26 -1.05 113.70 115.82 3kd4 s SER 363 Ca 0.03 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 55.96 3kd4 s SER 363 Cb -0.14 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.54 3kd4 s SER 363 CO -0.02 -0.98 1.64 0.00 0.98 0.00 0.00 173.24 174.86 3kd4 h ALA 364 N 2.00 0.65 -4.29 5.32 0.00 -1.98 -3.41 119.26 117.54 3kd4 h ALA 364 Ca -0.23 -0.23 -0.69 0.00 0.00 0.00 0.00 54.91 53.76 3kd4 h ALA 364 Cb 1.24 -0.19 -0.26 0.00 0.00 0.00 0.00 17.79 18.59 3kd4 h ALA 364 CO 0.27 0.37 -0.87 0.45 0.00 0.00 0.00 179.25 179.47 3kd4 s SER 365 N -6.18 3.27 0.24 0.00 0.15 -1.26 -5.09 113.70 104.83 3kd4 s SER 365 Ca -0.13 -0.53 -0.31 0.00 0.70 0.00 0.00 55.95 55.68 3kd4 s SER 365 Cb 0.11 -0.37 -0.11 0.00 -1.71 0.00 0.00 66.02 63.95 3kd4 s SER 365 CO 0.80 0.27 1.60 -2.84 1.20 0.00 0.00 173.24 174.27 3kd4 s PRO 366 N -1.15 4.16 0.53 5.44 0.02 -1.26 -4.85 135.00 137.89 3kd4 s PRO 366 Ca 0.12 2.51 0.18 0.00 0.02 0.00 0.00 61.00 63.82 3kd4 s PRO 366 Cb -0.10 -3.07 1.34 0.00 0.02 0.00 0.00 34.50 32.68 3kd4 s PRO 366 CO 0.02 -0.63 2.16 -0.07 -0.33 0.00 0.00 177.00 178.15 3kd4 h LEU 367 N 5.79 0.00 0.00 -5.54 3.38 -1.93 -1.40 115.31 115.61 3kd4 h LEU 367 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3kd4 h LEU 367 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3kd4 h LEU 367 CO 0.86 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.74 3kd4 n THR 368 N -4.45 0.33 -0.04 0.22 -2.24 -1.26 -1.40 114.28 105.43 3kd4 n THR 368 Ca -0.03 0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 3kd4 n THR 368 Cb 0.10 -0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 67.53 3kd4 n THR 368 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3kd4 h ASN 369 N 0.00 0.24 0.50 3.42 4.21 -1.47 -0.07 115.58 122.41 3kd4 h ASN 369 Ca 0.00 -0.39 -0.02 0.00 1.21 0.00 0.00 56.30 57.10 3kd4 h ASN 369 Cb 0.18 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3kd4 h ASN 369 CO 0.00 0.58 -1.52 0.54 -1.29 0.00 0.00 177.43 175.74 3kd4 n ARG 370 N -4.72 0.63 0.00 0.81 1.74 -1.17 -4.31 116.66 109.65 3kd4 n ARG 370 Ca -0.06 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3kd4 n ARG 370 Cb 0.26 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 3kd4 n ARG 370 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kd4 n GLY 371 N 1.24 3.14 0.00 -0.13 0.00 -0.50 -1.11 105.19 107.84 3kd4 n GLY 371 Ca -0.03 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3kd4 n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd4 n GLY 372 N 0.00 -0.63 0.26 -0.02 0.00 -1.20 -2.86 105.19 100.74 3kd4 n GLY 372 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3kd4 n GLY 372 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kd4 h LEU 373 N 0.00 0.00 -9.41 0.99 3.38 -1.49 -3.45 115.31 105.34 3kd4 h LEU 373 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3kd4 h LEU 373 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 3kd4 h LEU 373 CO 0.00 0.09 -0.69 -1.81 0.09 0.00 0.00 178.44 176.12 3kd4 s ASP 374 N -6.54 3.82 -0.21 -0.43 1.01 -1.13 -2.70 116.67 110.49 3kd4 s ASP 374 Ca -0.04 -1.08 -0.06 0.00 0.71 0.00 0.00 52.55 52.07 3kd4 s ASP 374 Cb 0.15 -0.40 -0.03 0.00 1.01 0.00 0.00 42.92 43.65 3kd4 s ASP 374 CO 0.62 -0.13 0.03 -0.75 0.21 0.00 0.00 175.17 175.15 3kd4 s LYS 375 N -3.61 3.72 -0.15 8.23 2.47 -0.09 -4.77 119.74 125.54 3kd4 s LYS 375 Ca 0.32 -0.47 -0.00 0.00 -1.56 0.00 0.00 55.97 54.26 3kd4 s LYS 375 Cb -0.01 -3.18 -0.01 0.00 -1.46 0.00 0.00 37.83 33.18 3kd4 s LYS 375 CO 0.17 0.03 -0.13 0.08 0.16 0.00 0.00 175.35 175.65 3kd4 s VAL 376 N 1.00 2.88 -0.05 4.02 1.01 -1.26 -0.33 120.40 127.67 3kd4 s VAL 376 Ca 0.03 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3kd4 s VAL 376 Cb -0.14 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3kd4 s VAL 376 CO 0.02 0.51 -0.06 -0.69 0.00 0.00 0.00 175.10 174.88 3kd4 s VAL 377 N 0.73 0.70 0.75 2.92 1.01 0.05 -0.53 120.40 126.03 3kd4 s VAL 377 Ca -0.06 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 3kd4 s VAL 377 Cb -0.15 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.58 3kd4 s VAL 377 CO 0.01 0.26 1.13 -0.94 0.00 0.00 0.00 175.10 175.57 3kd4 s SER 378 N 0.88 4.39 0.56 3.32 1.04 -0.24 -0.46 113.70 123.19 3kd4 s SER 378 Ca -0.11 2.06 0.37 0.00 0.48 0.00 0.00 55.95 58.74 3kd4 s SER 378 Cb -0.15 -2.55 1.84 0.00 0.10 0.00 0.00 66.02 65.26 3kd4 s SER 378 CO 0.01 -2.12 2.12 -0.07 0.98 0.00 0.00 173.24 174.16 3kd4 h LEU 379 N -0.67 0.00 -0.45 2.42 3.38 -1.70 0.23 115.31 118.52 3kd4 h LEU 379 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3kd4 h LEU 379 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3kd4 h LEU 379 CO 0.50 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.49 3kd4 n SER 380 N -2.93 0.69 0.00 -0.43 3.41 -1.26 -3.56 113.62 109.54 3kd4 n SER 380 Ca -0.01 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 3kd4 n SER 380 Cb 0.16 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3kd4 n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kd4 n GLY 381 N 1.06 0.93 3.66 5.00 0.00 0.80 -5.02 105.19 111.62 3kd4 n GLY 381 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3kd4 n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kd4 s THR 382 N -2.01 5.19 0.38 2.61 2.01 -1.25 -4.84 115.64 117.73 3kd4 s THR 382 Ca 0.00 0.70 -0.26 0.00 0.31 0.00 0.00 61.69 62.44 3kd4 s THR 382 Cb 0.00 -3.73 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 3kd4 s THR 382 CO 0.00 0.23 1.22 -0.44 -0.69 0.00 0.00 174.62 174.93 3kd4 s SER 383 N 1.15 6.56 -0.14 3.53 0.01 -1.26 -1.08 113.70 122.48 3kd4 s SER 383 Ca 0.19 2.46 0.01 0.00 1.31 0.00 0.00 55.95 59.92 3kd4 s SER 383 Cb -0.15 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.47 3kd4 s SER 383 CO 0.08 -0.66 -0.16 -0.63 0.41 0.00 0.00 173.24 172.28 3kd4 s ILE 384 N -1.32 1.68 -1.03 1.44 1.01 0.31 -4.94 121.20 118.36 3kd4 s ILE 384 Ca 0.55 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 3kd4 s ILE 384 Cb -0.34 -1.54 0.08 0.00 0.01 0.00 0.00 42.46 40.67 3kd4 s ILE 384 CO 0.43 0.48 1.37 -1.61 0.00 0.00 0.00 174.94 175.61 3kd4 s GLU 385 N 1.21 3.66 0.13 2.79 0.41 -1.26 -4.26 118.70 121.38 3kd4 s GLU 385 Ca -0.00 -1.49 -0.30 0.00 -0.41 0.00 0.00 54.97 52.76 3kd4 s GLU 385 Cb -0.14 -5.22 -0.07 0.00 -1.78 0.00 0.00 34.13 26.92 3kd4 s GLU 385 CO -0.07 -2.05 1.25 0.42 -0.49 0.00 0.00 175.26 174.32 3kd4 s ILE 386 N 3.99 3.63 0.61 -1.63 -1.09 -1.26 -5.00 121.20 120.45 3kd4 s ILE 386 Ca 0.42 1.25 -0.14 0.00 -2.23 0.00 0.00 60.65 59.95 3kd4 s ILE 386 Cb -0.01 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 3kd4 s ILE 386 CO -0.08 0.14 1.05 -1.83 -1.23 0.00 0.00 174.94 172.99 3kd4 s GLU 387 N 0.52 3.30 -0.32 2.79 -1.05 -1.26 -3.25 118.70 119.43 3kd4 s GLU 387 Ca 0.58 1.07 -0.11 0.00 -0.15 0.00 0.00 54.97 56.36 3kd4 s GLU 387 Cb -0.33 -2.04 -0.01 0.00 -0.44 0.00 0.00 34.13 31.31 3kd4 s GLU 387 CO 0.33 -0.81 0.20 0.99 0.95 0.00 0.00 175.26 176.91 3kd4 s THR 388 N -2.69 4.97 -0.12 1.83 2.01 -1.26 -4.26 115.64 116.12 3kd4 s THR 388 Ca 0.61 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.35 3kd4 s THR 388 Cb -0.14 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.84 3kd4 s THR 388 CO 0.42 0.04 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.28 3kd4 s THR 389 N 1.67 2.03 0.40 -0.82 2.01 -0.04 -5.04 115.64 115.86 3kd4 s THR 389 Ca 0.05 -0.98 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 3kd4 s THR 389 Cb -0.17 -1.78 -0.10 0.00 0.01 0.00 0.00 72.50 70.46 3kd4 s THR 389 CO 0.09 0.55 1.43 -2.84 -0.69 0.00 0.00 174.62 173.15 3kd4 s PRO 390 N 0.66 3.99 0.28 4.92 0.02 -1.26 -4.47 135.00 139.14 3kd4 s PRO 390 Ca -0.11 2.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 3kd4 s PRO 390 Cb -0.16 -2.86 -0.10 0.00 0.02 0.00 0.00 34.50 31.40 3kd4 s PRO 390 CO 0.02 -0.58 1.15 0.42 -0.33 0.00 0.00 177.00 177.69 3kd4 s ILE 391 N -1.16 3.33 -0.20 2.83 -1.09 -0.56 -4.87 121.20 119.48 3kd4 s ILE 391 Ca 0.55 1.31 -0.03 0.00 -2.23 0.00 0.00 60.65 60.26 3kd4 s ILE 391 Cb -0.44 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 36.60 3kd4 s ILE 391 CO 0.58 0.30 -0.07 -1.10 -1.23 0.00 0.00 174.94 173.42 3kd4 s GLN 392 N -1.37 3.34 -0.10 2.79 -1.52 -1.26 -0.63 119.66 120.91 3kd4 s GLN 392 Ca 0.46 -0.65 0.03 0.00 -1.95 0.00 0.00 55.36 53.25 3kd4 s GLN 392 Cb -0.34 -2.90 -0.00 0.00 -0.22 0.00 0.00 33.01 29.55 3kd4 s GLN 392 CO 0.43 -0.13 -0.22 0.42 -0.25 0.00 0.00 175.29 175.54 3kd4 s ILE 393 N 1.27 2.28 -0.12 1.08 1.01 0.96 -4.99 121.20 122.69 3kd4 s ILE 393 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 3kd4 s ILE 393 Cb -0.14 -1.88 0.05 0.00 0.01 0.00 0.00 42.46 40.49 3kd4 s ILE 393 CO -0.03 0.55 0.10 -0.75 0.00 0.00 0.00 174.94 174.81 3kd4 s LYS 394 N 0.29 0.02 0.14 2.79 2.20 -1.26 -0.48 119.74 123.45 3kd4 s LYS 394 Ca -0.16 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 3kd4 s LYS 394 Cb -0.17 -1.23 -0.04 0.00 -1.51 0.00 0.00 37.83 34.88 3kd4 s LYS 394 CO 0.08 -0.53 -0.01 -1.21 -0.36 0.00 0.00 175.35 173.31 3kd4 s GLU 395 N 2.18 0.99 0.02 4.03 2.02 -0.29 -4.99 118.70 122.65 3kd4 s GLU 395 Ca 0.03 -1.45 0.03 0.00 0.02 0.00 0.00 54.97 53.60 3kd4 s GLU 395 Cb -0.14 -0.17 -0.01 0.00 0.10 0.00 0.00 34.13 33.90 3kd4 s GLU 395 CO -0.07 -0.11 -0.09 -1.12 0.02 0.00 0.00 175.26 173.89 3kd4 s SER 396 N -3.11 1.07 0.02 -0.19 0.01 -1.26 -1.11 113.70 109.13 3kd4 s SER 396 Ca 0.20 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.15 3kd4 s SER 396 Cb 0.06 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 3kd4 s SER 396 CO 0.01 0.01 -0.04 -0.13 0.41 0.00 0.00 173.24 173.50 3kd4 s ARG 397 N -0.75 0.30 -0.06 12.44 1.81 -0.50 -4.95 118.95 127.25 3kd4 s ARG 397 Ca -0.00 -0.48 0.00 0.00 -1.72 0.00 0.00 55.73 53.53 3kd4 s ARG 397 Cb -0.06 -0.05 -0.03 0.00 -0.45 0.00 0.00 34.95 34.36 3kd4 s ARG 397 CO 0.00 -0.00 -0.04 -1.12 -0.68 0.00 0.00 175.30 173.46 3kd4 s SER 398 N -1.07 4.89 -0.04 0.23 0.01 -1.26 -0.79 113.70 115.67 3kd4 s SER 398 Ca -0.10 0.02 -0.00 0.00 1.31 0.00 0.00 55.95 57.17 3kd4 s SER 398 Cb -0.07 -1.27 0.03 0.00 0.21 0.00 0.00 66.02 64.91 3kd4 s SER 398 CO -0.00 0.35 0.01 -0.69 0.41 0.00 0.00 173.24 173.31 3kd4 s VAL 399 N -0.89 0.20 -0.05 3.43 1.01 0.52 -4.93 120.40 119.69 3kd4 s VAL 399 Ca 0.14 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 3kd4 s VAL 399 Cb -0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3kd4 s VAL 399 CO 0.04 0.19 0.12 0.00 0.00 0.00 0.00 175.10 175.44 3kd4 s ALA 400 N 1.50 3.74 -0.09 5.51 0.00 -1.26 0.24 121.76 131.40 3kd4 s ALA 400 Ca -0.03 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3kd4 s ALA 400 Cb -0.13 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.23 3kd4 s ALA 400 CO -0.03 0.67 -0.12 0.42 0.00 0.00 0.00 175.76 176.71 3kd4 s ILE 401 N -1.14 1.20 0.38 0.00 1.01 -0.42 -4.92 121.20 117.30 3kd4 s ILE 401 Ca 0.20 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 3kd4 s ILE 401 Cb -0.12 -1.13 -0.07 0.00 0.01 0.00 0.00 42.46 41.15 3kd4 s ILE 401 CO 0.11 0.38 0.75 -0.94 0.00 0.00 0.00 174.94 175.24 3kd4 s SER 402 N 1.07 6.59 0.27 3.58 1.04 -1.26 0.12 113.70 125.11 3kd4 s SER 402 Ca -0.06 1.16 0.22 0.00 0.48 0.00 0.00 55.95 57.75 3kd4 s SER 402 Cb -0.15 -2.33 1.02 0.00 0.10 0.00 0.00 66.02 64.66 3kd4 s SER 402 CO -0.01 -0.34 1.68 0.00 0.98 0.00 0.00 173.24 175.54 3kd4 n ALA 403 N -1.03 1.45 0.26 5.32 0.00 -1.26 -2.21 120.51 123.04 3kd4 n ALA 403 Ca 0.03 0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.41 3kd4 n ALA 403 Cb 0.54 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 3kd4 n ALA 403 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3kd4 h ASP 404 N 0.00 -1.35 0.03 0.00 -0.00 -2.02 -3.01 116.42 110.08 3kd4 h ASP 404 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.03 57.14 3kd4 h ASP 404 Cb 0.24 0.45 0.00 0.00 -0.00 0.00 0.00 39.33 40.02 3kd4 h ASP 404 CO 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 179.24 178.62 3kd4 n GLN 405 N -5.36 0.02 -0.13 4.15 6.02 -0.94 -2.66 117.38 118.48 3kd4 n GLN 405 Ca -0.11 0.30 0.06 0.00 -0.01 0.00 0.00 57.00 57.24 3kd4 n GLN 405 Cb 0.44 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.28 3kd4 n GLN 405 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kd4 n ALA 406 N -1.32 2.12 0.16 -1.58 0.00 -1.14 -4.26 120.51 114.50 3kd4 n ALA 406 Ca 0.01 -2.00 0.12 0.00 0.00 0.00 0.00 53.44 51.57 3kd4 n ALA 406 Cb 0.01 -0.33 0.64 0.00 0.00 0.00 0.00 19.45 19.78 3kd4 n ALA 406 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kd4 h LYS 407 N 0.00 0.03 -0.81 0.00 1.79 -1.48 -2.80 116.57 113.30 3kd4 h LYS 407 Ca 0.00 -0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 3kd4 h LYS 407 Cb 0.99 -0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.55 3kd4 h LYS 407 CO 0.00 0.02 0.18 -0.25 -1.08 0.00 0.00 179.45 178.32 3kd4 n ASP 408 N -4.49 4.10 0.00 0.86 8.00 -1.26 -4.87 116.55 118.89 3kd4 n ASP 408 Ca 0.01 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.66 3kd4 n ASP 408 Cb 0.25 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 3kd4 n ASP 408 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kd4 n GLY 409 N 0.03 3.16 3.09 0.44 0.00 -1.06 -5.04 105.19 105.81 3kd4 n GLY 409 Ca 0.29 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 3kd4 n GLY 409 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kd4 s PHE 410 N -0.18 0.69 -0.14 1.61 0.08 -1.25 -2.12 117.98 116.69 3kd4 s PHE 410 Ca 0.00 -0.70 0.01 0.00 0.12 0.00 0.00 56.93 56.36 3kd4 s PHE 410 Cb 0.00 -0.42 0.02 0.00 -0.57 0.00 0.00 43.02 42.05 3kd4 s PHE 410 CO 0.00 -0.14 -0.17 0.00 -0.10 0.00 0.00 175.22 174.81 3kd4 s ALA 411 N -2.40 1.94 -0.49 5.36 0.00 0.46 -4.19 121.76 122.44 3kd4 s ALA 411 Ca -0.01 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 3kd4 s ALA 411 Cb -0.03 -0.97 0.07 0.00 0.00 0.00 0.00 23.12 22.19 3kd4 s ALA 411 CO -0.02 -0.19 0.48 0.42 0.00 0.00 0.00 175.76 176.44 3kd4 s ILE 412 N 1.13 5.12 -0.46 0.00 1.01 -1.26 -1.11 121.20 125.63 3kd4 s ILE 412 Ca -0.02 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.50 3kd4 s ILE 412 Cb -0.14 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.17 3kd4 s ILE 412 CO -0.06 -0.68 0.56 0.00 0.00 0.00 0.00 174.94 174.76 3kd4 s VAL 414 N 2.46 4.81 0.10 0.00 1.01 -1.26 -0.67 120.40 126.85 3kd4 s VAL 414 Ca 0.15 0.47 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 3kd4 s VAL 414 Cb -0.18 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 3kd4 s VAL 414 CO 0.14 -0.48 1.42 -0.76 0.00 0.00 0.00 175.10 175.42 3kd4 s LEU 415 N 2.89 4.36 0.36 3.92 1.43 0.50 -4.95 118.68 127.21 3kd4 s LEU 415 Ca 0.26 2.33 -0.27 0.00 -1.03 0.00 0.00 54.13 55.42 3kd4 s LEU 415 Cb -0.14 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 3kd4 s LEU 415 CO 0.18 -0.69 1.27 -2.16 0.23 0.00 0.00 176.35 175.17 3kd4 s PRO 416 N 1.35 4.20 0.50 1.29 0.04 -1.26 -4.90 135.00 136.22 3kd4 s PRO 416 Ca 0.65 2.10 -0.21 0.00 0.04 0.00 0.00 61.00 63.59 3kd4 s PRO 416 Cb -0.37 -2.91 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 3kd4 s PRO 416 CO 0.30 -0.28 1.13 0.00 0.04 0.00 0.00 177.00 178.19 3kd4 s ALA 417 N -1.23 2.83 0.66 8.56 0.00 -1.26 -5.06 121.76 126.27 3kd4 s ALA 417 Ca 0.53 0.84 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 3kd4 s ALA 417 Cb -0.37 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.45 3kd4 s ALA 417 CO 0.48 -0.67 0.95 0.96 0.00 0.00 0.00 175.76 177.48 3kd4 s ILE 418 N -1.70 2.38 -0.24 0.00 -4.36 -1.26 -5.06 121.20 110.96 3kd4 s ILE 418 Ca 0.68 -0.40 -0.10 0.00 -0.26 0.00 0.00 60.65 60.57 3kd4 s ILE 418 Cb -0.25 -2.98 -0.16 0.00 1.25 0.00 0.00 42.46 40.32 3kd4 s ILE 418 CO 0.29 0.00 -0.14 -1.20 0.24 0.00 0.00 174.94 174.14 3kd4 n SER 419 N -2.76 1.97 -4.77 4.36 7.64 -1.26 -4.76 113.62 114.04 3kd4 n SER 419 Ca 0.09 0.20 -0.35 0.00 1.01 0.00 0.00 58.87 59.81 3kd4 n SER 419 Cb 0.60 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3kd4 n SER 419 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kd4 s ALA 420 N -2.49 2.71 0.00 -0.43 0.00 -1.26 -2.86 121.76 117.43 3kd4 s ALA 420 Ca -0.34 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3kd4 s ALA 420 Cb 0.11 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3kd4 s ALA 420 CO 0.57 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3kd4 n GLY 421 N 0.16 0.18 0.30 0.00 0.00 -1.26 -4.20 105.19 100.37 3kd4 n GLY 421 Ca 0.11 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.90 3kd4 n GLY 421 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kd4 h ILE 422 N 0.00 1.01 0.00 -0.61 2.04 -1.97 -0.09 117.51 117.88 3kd4 h ILE 422 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3kd4 h ILE 422 Cb 0.00 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3kd4 h ILE 422 CO 0.00 0.05 0.00 0.44 0.00 0.00 0.00 178.15 178.64 3kd4 h ASP 423 N 0.27 0.00 0.03 1.72 3.32 -1.79 -0.81 116.42 119.16 3kd4 h ASP 423 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3kd4 h ASP 423 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3kd4 h ASP 423 CO -0.02 0.00 -0.12 -1.54 -1.72 0.00 0.00 179.24 175.83 3kd4 n SER 424 N -2.79 1.97 0.00 6.45 3.41 -0.05 -4.47 113.62 118.15 3kd4 n SER 424 Ca -0.01 -1.55 0.14 0.00 -0.26 0.00 0.00 58.87 57.18 3kd4 n SER 424 Cb 0.14 0.10 0.65 0.00 -0.26 0.00 0.00 64.21 64.84 3kd4 n SER 424 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kd4 n TRP 425 N 0.36 0.00 -1.79 7.33 8.01 -0.31 -5.04 117.44 126.00 3kd4 n TRP 425 Ca 0.15 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.32 3kd4 n TRP 425 Cb 0.45 -0.38 0.00 0.00 -2.01 0.00 0.00 31.31 29.37 3kd4 n TRP 425 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kd4 n GLY 426 N 1.21 -1.27 0.00 6.99 0.00 -1.26 -5.11 105.19 105.75 3kd4 n GLY 426 Ca 0.10 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3kd4 n GLY 426 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kd4 n SER 428 N -0.34 0.00 -3.12 1.61 3.41 -1.26 -4.94 113.62 108.98 3kd4 n SER 428 Ca 0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.39 3kd4 n SER 428 Cb 0.08 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 3kd4 n SER 428 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kd4 n ALA 429 N -1.54 3.44 -2.21 7.33 0.00 -1.26 -4.93 120.51 121.35 3kd4 n ALA 429 Ca 0.00 -4.13 -0.41 0.00 0.00 0.00 0.00 53.44 48.90 3kd4 n ALA 429 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 3kd4 n ALA 429 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kd4 s LEU 430 N -2.72 4.42 0.67 0.00 1.43 -1.26 -5.02 118.68 116.20 3kd4 s LEU 430 Ca 0.43 2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 55.48 3kd4 s LEU 430 Cb 0.27 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.90 3kd4 s LEU 430 CO -0.10 -0.39 1.24 0.20 0.23 0.00 0.00 176.35 177.53 3kd4 s ASN 431 N 0.49 4.56 0.33 2.29 0.01 -1.26 -4.94 114.94 116.42 3kd4 s ASN 431 Ca 0.55 2.46 0.19 0.00 -0.71 0.00 0.00 52.86 55.34 3kd4 s ASN 431 Cb -0.31 -2.60 0.16 0.00 0.41 0.00 0.00 41.25 38.91 3kd4 s ASN 431 CO 0.33 -2.02 1.45 0.77 -1.51 0.00 0.00 177.10 176.12 3kd4 h SER 432 N 0.27 0.00 -3.17 -1.22 4.64 -2.02 -3.45 113.55 108.59 3kd4 h SER 432 Ca -0.49 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.18 3kd4 h SER 432 Cb 1.31 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.31 3kd4 h SER 432 CO 0.52 0.27 -0.60 -0.54 -0.87 0.00 0.00 176.83 175.61 3kd4 s LYS 433 N -3.08 2.92 -0.18 4.77 3.01 -1.26 -4.90 119.74 121.01 3kd4 s LYS 433 Ca 0.05 -0.65 -0.12 0.00 -1.01 0.00 0.00 55.97 54.24 3kd4 s LYS 433 Cb 0.07 -2.75 0.06 0.00 -1.01 0.00 0.00 37.83 34.19 3kd4 s LYS 433 CO 0.72 0.58 0.44 0.50 0.51 0.00 0.00 175.35 178.11 3kd4 s ARG 434 N -2.24 0.45 -0.10 1.68 6.06 -1.26 -5.04 118.95 118.49 3kd4 s ARG 434 Ca 0.28 0.78 0.13 0.00 -2.50 0.00 0.00 55.73 54.41 3kd4 s ARG 434 Cb -0.12 0.06 -0.18 0.00 0.06 0.00 0.00 34.95 34.77 3kd4 s ARG 434 CO 0.20 -0.13 0.11 -1.13 -2.50 0.00 0.00 175.30 171.85 3kd4 n SER 435 N 3.88 1.70 -4.78 -2.12 3.41 -1.26 -4.75 113.62 109.71 3kd4 n SER 435 Ca -0.20 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.18 3kd4 n SER 435 Cb 0.56 1.03 -0.05 0.00 -0.26 0.00 0.00 64.21 65.49 3kd4 n SER 435 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kd4 s ASN 436 N -4.41 4.85 0.43 4.04 -0.87 -1.26 -4.83 114.94 112.89 3kd4 s ASN 436 Ca -0.06 -0.72 -0.24 0.00 -1.57 0.00 0.00 52.86 50.26 3kd4 s ASN 436 Cb 0.05 -0.76 -0.10 0.00 -0.02 0.00 0.00 41.25 40.42 3kd4 s ASN 436 CO 0.56 -0.36 1.06 0.18 -2.57 0.00 0.00 177.10 175.97 3kd4 n LEU 437 N -1.25 2.95 -4.45 0.60 4.77 -1.26 -4.49 117.00 113.87 3kd4 n LEU 437 Ca -0.02 1.04 -0.34 0.00 -0.03 0.00 0.00 56.01 56.66 3kd4 n LEU 437 Cb 0.61 -1.38 -0.13 0.00 -2.33 0.00 0.00 43.42 40.19 3kd4 n LEU 437 CO 0.43 -1.34 -0.37 0.12 -1.33 0.00 0.00 177.39 174.90 3kd4 s PHE 438 N -1.27 2.97 -0.05 -1.77 5.36 0.23 -4.12 117.98 119.34 3kd4 s PHE 438 Ca 0.63 -0.43 0.03 0.00 -0.96 0.00 0.00 56.93 56.20 3kd4 s PHE 438 Cb -0.54 -1.95 0.01 0.00 -0.34 0.00 0.00 43.02 40.19 3kd4 s PHE 438 CO 0.56 -0.13 -0.12 -2.00 -1.46 0.00 0.00 175.22 172.07 3kd4 s GLU 439 N 0.50 1.45 0.24 10.12 2.12 0.22 -0.68 118.70 132.67 3kd4 s GLU 439 Ca -0.04 -0.42 -0.08 0.00 0.36 0.00 0.00 54.97 54.78 3kd4 s GLU 439 Cb -0.15 -1.26 -0.06 0.00 0.26 0.00 0.00 34.13 32.92 3kd4 s GLU 439 CO 0.03 0.11 0.54 -0.51 -0.54 0.00 0.00 175.26 174.89 3kd4 s LEU 440 N 0.34 4.14 0.41 2.70 1.43 -0.24 -4.79 118.68 122.67 3kd4 s LEU 440 Ca -0.08 0.83 0.09 0.00 -1.03 0.00 0.00 54.13 53.95 3kd4 s LEU 440 Cb -0.12 -3.61 0.87 0.00 0.03 0.00 0.00 46.19 43.36 3kd4 s LEU 440 CO 0.02 -0.10 2.01 -0.65 0.23 0.00 0.00 176.35 177.86 3kd4 h PRO 441 N 2.31 0.35 -2.83 1.29 0.11 -1.95 -3.46 132.00 127.81 3kd4 h PRO 441 Ca -0.47 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.67 3kd4 h PRO 441 Cb 1.17 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 3kd4 h PRO 441 CO 0.69 0.33 0.29 -1.54 -0.21 0.00 0.00 178.00 177.55 3kd4 s SER 442 N -6.82 -0.32 0.70 -2.05 1.04 -1.26 -4.47 113.70 100.52 3kd4 s SER 442 Ca -0.07 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 55.84 3kd4 s SER 442 Cb 0.16 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.94 3kd4 s SER 442 CO 0.73 -1.13 1.09 -0.76 0.98 0.00 0.00 173.24 174.14 3kd4 s LEU 443 N -2.86 3.21 -0.01 2.42 1.43 -1.26 -4.95 118.68 116.67 3kd4 s LEU 443 Ca 0.09 1.84 -0.23 0.00 -1.03 0.00 0.00 54.13 54.80 3kd4 s LEU 443 Cb -0.04 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.70 3kd4 s LEU 443 CO 0.01 -1.71 0.50 -0.51 0.23 0.00 0.00 176.35 174.87 3kd4 s ILE 444 N -2.70 0.03 -0.04 -0.59 2.07 -1.05 -1.49 121.20 117.43 3kd4 s ILE 444 Ca 0.63 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 59.60 3kd4 s ILE 444 Cb -0.17 -0.86 0.03 0.00 0.13 0.00 0.00 42.46 41.59 3kd4 s ILE 444 CO 0.49 -0.14 0.04 -0.13 -1.91 0.00 0.00 174.94 173.29 3kd4 s ARG 445 N -1.58 0.12 0.00 3.50 0.52 0.20 -0.89 118.95 120.83 3kd4 s ARG 445 Ca -0.10 0.26 0.05 0.00 -0.52 0.00 0.00 55.73 55.41 3kd4 s ARG 445 Cb -0.02 -0.57 -0.01 0.00 0.52 0.00 0.00 34.95 34.86 3kd4 s ARG 445 CO 0.05 -0.28 -0.15 -1.21 0.02 0.00 0.00 175.30 173.73 3kd4 s GLU 446 N 1.84 1.17 -0.07 3.54 2.02 0.14 -0.03 118.70 127.32 3kd4 s GLU 446 Ca 0.01 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.39 3kd4 s GLU 446 Cb -0.12 -1.15 0.02 0.00 0.10 0.00 0.00 34.13 32.97 3kd4 s GLU 446 CO -0.03 0.31 -0.06 -2.00 0.02 0.00 0.00 175.26 173.50 3kd4 s GLU 447 N -0.59 1.11 -0.13 1.61 2.12 0.37 -1.53 118.70 121.66 3kd4 s GLU 447 Ca 0.05 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.23 3kd4 s GLU 447 Cb -0.06 -1.13 0.02 0.00 0.26 0.00 0.00 34.13 33.21 3kd4 s GLU 447 CO 0.00 -0.13 -0.17 0.08 -0.54 0.00 0.00 175.26 174.50 3kd4 s VAL 448 N 1.20 1.67 -0.23 3.70 1.01 0.34 -1.14 120.40 126.95 3kd4 s VAL 448 Ca -0.06 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3kd4 s VAL 448 Cb -0.14 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3kd4 s VAL 448 CO -0.02 0.47 -0.02 -0.89 0.00 0.00 0.00 175.10 174.65 3kd4 s THR 449 N 1.06 3.55 -0.16 3.92 2.01 -0.27 -0.81 115.64 124.94 3kd4 s THR 449 Ca -0.04 -0.46 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 3kd4 s THR 449 Cb -0.15 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 3kd4 s THR 449 CO -0.04 0.39 0.05 -0.31 -0.69 0.00 0.00 174.62 174.02 3kd4 s TYR 450 N 1.50 3.26 -0.28 4.92 1.51 0.72 -1.41 117.35 127.56 3kd4 s TYR 450 Ca 0.06 0.12 -0.05 0.00 -1.01 0.00 0.00 57.07 56.18 3kd4 s TYR 450 Cb -0.15 -2.00 0.01 0.00 -0.11 0.00 0.00 41.96 39.72 3kd4 s TYR 450 CO -0.02 0.26 0.05 0.99 -1.11 0.00 0.00 175.55 175.72 3kd4 s THR 451 N -0.01 3.68 -0.21 -0.71 2.01 0.03 -1.12 115.64 119.31 3kd4 s THR 451 Ca 0.06 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 3kd4 s THR 451 Cb -0.12 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 3kd4 s THR 451 CO 0.01 0.10 0.00 -0.69 -0.69 0.00 0.00 174.62 173.35 3kd4 s VAL 452 N 1.45 3.93 -0.47 3.82 1.01 0.91 -0.35 120.40 130.70 3kd4 s VAL 452 Ca 0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 3kd4 s VAL 452 Cb -0.17 -2.79 0.12 0.00 0.00 0.00 0.00 36.38 33.55 3kd4 s VAL 452 CO 0.01 0.42 0.28 -0.89 0.00 0.00 0.00 175.10 174.92 3kd4 s THR 453 N 1.10 3.54 0.59 3.92 2.01 0.14 0.29 115.64 127.22 3kd4 s THR 453 Ca 0.02 -2.21 -0.16 0.00 0.31 0.00 0.00 61.69 59.65 3kd4 s THR 453 Cb -0.14 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3kd4 s THR 453 CO 0.01 -0.75 1.05 -2.16 -0.69 0.00 0.00 174.62 172.09 3kd4 s PRO 454 N 0.91 3.37 0.79 4.92 0.04 -1.26 -1.30 135.00 142.47 3kd4 s PRO 454 Ca 0.10 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 3kd4 s PRO 454 Cb -0.23 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.32 3kd4 s PRO 454 CO -0.04 -0.76 1.02 0.00 0.04 0.00 0.00 177.00 177.26 3kd4 n ALA 455 N -1.98 -0.41 -1.70 8.56 0.00 0.33 -4.84 120.51 120.47 3kd4 n ALA 455 Ca 0.09 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 3kd4 n ALA 455 Cb 0.53 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.81 3kd4 n ALA 455 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kd4 n GLU 456 N -2.57 2.37 -1.65 0.00 1.02 -1.26 -4.90 120.64 113.65 3kd4 n GLU 456 Ca 0.13 0.84 -0.00 0.00 -0.02 0.00 0.00 57.16 58.11 3kd4 n GLU 456 Cb 0.50 -2.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 3kd4 n GLU 456 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kd4 n GLY 457 N 2.46 -2.38 3.63 0.62 0.00 -1.26 -4.94 105.19 103.32 3kd4 n GLY 457 Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 3kd4 n GLY 457 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kd4 s LYS 459 N -0.47 0.57 -0.21 1.61 2.20 0.13 -4.75 119.74 118.82 3kd4 s LYS 459 Ca 0.01 1.05 -0.29 0.00 -0.36 0.00 0.00 55.97 56.37 3kd4 s LYS 459 Cb -0.00 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.53 3kd4 s LYS 459 CO 0.09 -0.13 1.21 -1.17 -0.36 0.00 0.00 175.35 174.99 3kd4 s LEU 460 N 1.72 4.11 -0.10 5.43 2.96 -1.26 -0.23 118.68 131.31 3kd4 s LEU 460 Ca -0.09 1.53 0.16 0.00 -0.22 0.00 0.00 54.13 55.51 3kd4 s LEU 460 Cb -0.05 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.87 3kd4 s LEU 460 CO -0.18 -0.79 0.42 0.00 -1.32 0.00 0.00 176.35 174.48 3kd4 n GLN 461 N 6.65 0.66 -1.71 1.98 1.13 0.91 -4.92 117.38 122.08 3kd4 n GLN 461 Ca 0.13 0.13 -0.43 0.00 -1.94 0.00 0.00 57.00 54.90 3kd4 n GLN 461 Cb 0.45 -1.67 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 3kd4 n GLN 461 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3kd4 n THR 462 N -2.86 0.93 -1.72 5.09 -1.04 -1.16 -4.95 114.28 108.57 3kd4 n THR 462 Ca -0.22 -0.23 -0.40 0.00 -2.04 0.00 0.00 64.05 61.16 3kd4 n THR 462 Cb 1.05 -1.72 0.02 0.00 -1.82 0.00 0.00 70.33 67.86 3kd4 n THR 462 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3kd4 n SER 463 N 2.25 2.73 -0.74 8.00 2.88 -1.26 -4.92 113.62 122.56 3kd4 n SER 463 Ca 0.10 1.07 0.07 0.00 -1.33 0.00 0.00 58.87 58.79 3kd4 n SER 463 Cb 0.34 -1.54 0.20 0.00 -0.75 0.00 0.00 64.21 62.45 3kd4 n SER 463 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kd4 n THR 464 N -0.43 0.52 -2.29 2.46 -2.24 -1.26 -4.92 114.28 106.11 3kd4 n THR 464 Ca 0.07 -0.53 -0.40 0.00 -2.27 0.00 0.00 64.05 60.92 3kd4 n THR 464 Cb 0.41 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 3kd4 n THR 464 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3kd4 s GLN 465 N -1.48 4.48 0.31 -0.78 0.74 -1.26 -4.35 119.66 117.32 3kd4 s GLN 465 Ca 0.28 2.01 -0.29 0.00 0.05 0.00 0.00 55.36 57.41 3kd4 s GLN 465 Cb 0.15 -3.12 -0.10 0.00 1.10 0.00 0.00 33.01 31.04 3kd4 s GLN 465 CO 0.19 -0.00 1.28 -2.00 -0.55 0.00 0.00 175.29 174.21 3kd4 s GLU 466 N -1.65 4.40 -0.23 1.67 2.12 -1.26 -4.77 118.70 118.99 3kd4 s GLU 466 Ca 0.47 2.14 -0.05 0.00 0.36 0.00 0.00 54.97 57.89 3kd4 s GLU 466 Cb -0.36 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 3kd4 s GLU 466 CO 0.47 -0.13 0.01 -0.65 -0.54 0.00 0.00 175.26 174.42 3kd4 s GLN 467 N -1.62 3.51 -0.05 4.30 -0.21 -0.20 -4.98 119.66 120.41 3kd4 s GLN 467 Ca 0.49 -0.56 0.02 0.00 0.02 0.00 0.00 55.36 55.33 3kd4 s GLN 467 Cb -0.38 -3.14 0.01 0.00 1.00 0.00 0.00 33.01 30.50 3kd4 s GLN 467 CO 0.50 -0.18 -0.08 0.08 -2.12 0.00 0.00 175.29 173.49 3kd4 s VAL 468 N 1.49 0.80 -0.15 1.09 1.01 -1.26 -0.25 120.40 123.12 3kd4 s VAL 468 Ca 0.06 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3kd4 s VAL 468 Cb -0.15 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.50 3kd4 s VAL 468 CO -0.00 0.27 -0.17 -0.51 0.00 0.00 0.00 175.10 174.69 3kd4 s ILE 469 N 0.62 1.73 -0.09 2.22 2.07 -0.57 -5.02 121.20 122.17 3kd4 s ILE 469 Ca -0.10 -0.75 0.03 0.00 -1.41 0.00 0.00 60.65 58.42 3kd4 s ILE 469 Cb -0.13 -1.59 0.01 0.00 0.13 0.00 0.00 42.46 40.87 3kd4 s ILE 469 CO 0.01 0.49 -0.18 -0.55 -1.91 0.00 0.00 174.94 172.80 3kd4 s SER 470 N 1.30 2.46 0.27 4.50 0.15 -1.26 -1.48 113.70 119.65 3kd4 s SER 470 Ca 0.02 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.25 3kd4 s SER 470 Cb -0.13 -1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 63.00 3kd4 s SER 470 CO -0.09 0.08 0.11 -0.54 1.20 0.00 0.00 173.24 174.00 3kd4 s LYS 471 N 0.60 1.47 0.56 5.44 -0.14 -0.44 -5.02 119.74 122.21 3kd4 s LYS 471 Ca -0.15 -1.81 0.25 0.00 -1.36 0.00 0.00 55.97 52.90 3kd4 s LYS 471 Cb -0.17 -0.28 1.57 0.00 -1.68 0.00 0.00 37.83 37.27 3kd4 s LYS 471 CO 0.05 -0.32 2.16 -1.35 -0.76 0.00 0.00 175.35 175.13 3kd4 h PRO 472 N 2.32 0.00 0.00 -1.68 0.11 -2.00 -3.01 132.00 127.74 3kd4 h PRO 472 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kd4 h PRO 472 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kd4 h PRO 472 CO 0.60 0.00 -0.00 1.19 -0.21 0.00 0.00 178.00 179.57 3kd4 n PHE 473 N -4.11 0.00 -2.60 0.65 3.72 -1.26 -5.04 117.46 108.81 3kd4 n PHE 473 Ca -0.01 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 3kd4 n PHE 473 Cb 0.19 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 3kd4 n PHE 473 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kd4 n GLY 474 N -0.77 -1.27 3.60 1.37 0.00 -1.14 -0.55 105.19 106.42 3kd4 n GLY 474 Ca 0.05 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 3kd4 n GLY 474 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kd4 s LYS 475 N -0.57 0.78 -0.05 1.61 2.20 -0.84 -1.33 119.74 121.55 3kd4 s LYS 475 Ca 0.00 0.62 0.04 0.00 -0.36 0.00 0.00 55.97 56.27 3kd4 s LYS 475 Cb 0.00 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 3kd4 s LYS 475 CO 0.00 -0.16 -0.15 0.08 -0.36 0.00 0.00 175.35 174.76 3kd4 s VAL 476 N -0.22 1.31 0.11 4.02 1.01 -0.55 -1.30 120.40 124.79 3kd4 s VAL 476 Ca -0.02 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3kd4 s VAL 476 Cb -0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3kd4 s VAL 476 CO 0.01 0.38 -0.10 0.42 0.00 0.00 0.00 175.10 175.82 3kd4 s THR 477 N 0.18 1.00 -0.03 3.92 -4.23 -0.15 -1.51 115.64 114.83 3kd4 s THR 477 Ca -0.06 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 3kd4 s THR 477 Cb -0.12 -1.55 0.03 0.00 1.34 0.00 0.00 72.50 72.20 3kd4 s THR 477 CO 0.02 -0.64 0.04 -0.60 -0.54 0.00 0.00 174.62 172.90 3kd4 s ARG 478 N -3.17 -0.01 0.06 3.99 3.52 0.65 -1.27 118.95 122.71 3kd4 s ARG 478 Ca 0.10 0.23 0.09 0.00 -0.13 0.00 0.00 55.73 56.02 3kd4 s ARG 478 Cb -0.01 -0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 33.00 3kd4 s ARG 478 CO -0.00 -0.21 -0.26 0.95 -0.81 0.00 0.00 175.30 174.97 3kd4 s THR 479 N 1.38 2.08 -0.11 4.11 -4.23 -0.44 -1.03 115.64 117.40 3kd4 s THR 479 Ca -0.05 -1.42 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3kd4 s THR 479 Cb -0.13 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 71.95 3kd4 s THR 479 CO -0.03 0.29 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.66 3kd4 s ILE 480 N -0.85 0.89 -0.25 2.99 1.01 -1.26 -1.20 121.20 122.53 3kd4 s ILE 480 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 3kd4 s ILE 480 Cb -0.10 -0.95 0.08 0.00 0.01 0.00 0.00 42.46 41.50 3kd4 s ILE 480 CO 0.03 0.33 0.06 -0.89 0.00 0.00 0.00 174.94 174.46 3kd4 s THR 481 N 1.76 0.66 0.30 2.92 2.01 -0.04 -4.77 115.64 118.49 3kd4 s THR 481 Ca 0.05 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 3kd4 s THR 481 Cb -0.13 -1.30 -0.11 0.00 0.01 0.00 0.00 72.50 70.97 3kd4 s THR 481 CO -0.08 -0.42 1.49 -2.84 -0.69 0.00 0.00 174.62 172.09 3kd4 s PRO 482 N 1.76 4.19 -0.30 4.92 0.02 -1.26 -0.98 135.00 143.35 3kd4 s PRO 482 Ca 0.03 2.45 -0.03 0.00 0.02 0.00 0.00 61.00 63.48 3kd4 s PRO 482 Cb -0.17 -3.04 0.11 0.00 0.02 0.00 0.00 34.50 31.42 3kd4 s PRO 482 CO -0.17 -0.49 0.17 1.03 -0.33 0.00 0.00 177.00 177.20 3kd4 s ARG 483 N -0.99 0.25 6.90 5.54 0.52 0.22 -4.90 118.95 126.50 3kd4 s ARG 483 Ca 0.58 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 3kd4 s ARG 483 Cb -0.45 -1.09 0.00 0.00 0.52 0.00 0.00 34.95 33.93 3kd4 s ARG 483 CO 0.51 -1.04 0.00 0.41 0.02 0.00 0.00 175.30 175.20 3kd4 n GLY 484 N 5.14 2.21 2.08 -3.53 0.00 -1.26 -1.47 105.19 108.37 3kd4 n GLY 484 Ca -0.04 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 3kd4 n GLY 484 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kd4 n ASN 485 N 5.31 3.98 -4.51 1.61 0.23 -1.26 -4.90 115.26 115.73 3kd4 n ASN 485 Ca 0.00 -3.39 -0.25 0.00 -0.53 0.00 0.00 54.58 50.42 3kd4 n ASN 485 Cb 0.00 -0.79 -0.10 0.00 -2.08 0.00 0.00 39.78 36.81 3kd4 n ASN 485 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3kd4 s THR 486 N -2.98 2.40 -0.09 5.53 -4.23 -0.54 -4.23 115.64 111.50 3kd4 s THR 486 Ca 0.52 -2.31 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 3kd4 s THR 486 Cb 0.43 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.82 3kd4 s THR 486 CO 0.11 -0.31 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.08 3kd4 s ILE 487 N -2.55 1.52 -0.25 2.99 1.01 0.14 0.70 121.20 124.77 3kd4 s ILE 487 Ca 0.31 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 3kd4 s ILE 487 Cb -0.02 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 3kd4 s ILE 487 CO 0.16 0.44 0.20 -0.70 0.00 0.00 0.00 174.94 175.04 3kd4 s GLU 488 N 0.61 4.05 -0.20 2.79 2.12 -0.15 -0.07 118.70 127.86 3kd4 s GLU 488 Ca -0.15 -0.22 -0.02 0.00 0.36 0.00 0.00 54.97 54.94 3kd4 s GLU 488 Cb -0.16 -3.57 -0.00 0.00 0.26 0.00 0.00 34.13 30.65 3kd4 s GLU 488 CO 0.05 -0.02 -0.08 0.08 -0.54 0.00 0.00 175.26 174.74 3kd4 s VAL 489 N 1.29 3.11 -0.21 3.70 1.01 -0.28 -0.86 120.40 128.17 3kd4 s VAL 489 Ca 0.09 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3kd4 s VAL 489 Cb -0.14 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 3kd4 s VAL 489 CO 0.07 0.46 -0.05 -0.69 0.00 0.00 0.00 175.10 174.89 3kd4 s VAL 490 N 1.27 3.41 -0.14 2.92 1.01 -0.34 -0.20 120.40 128.33 3kd4 s VAL 490 Ca 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3kd4 s VAL 490 Cb -0.14 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3kd4 s VAL 490 CO -0.04 0.44 -0.05 -0.13 0.00 0.00 0.00 175.10 175.32 3kd4 s ARG 491 N 1.27 3.49 0.06 2.72 0.52 0.01 -1.33 118.95 125.68 3kd4 s ARG 491 Ca 0.03 -0.54 0.07 0.00 -0.52 0.00 0.00 55.73 54.77 3kd4 s ARG 491 Cb -0.14 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 3kd4 s ARG 491 CO -0.02 0.32 -0.18 0.95 0.02 0.00 0.00 175.30 176.39 3kd4 s THR 492 N 0.15 1.45 -0.00 0.02 -4.23 -0.40 -0.50 115.64 112.13 3kd4 s THR 492 Ca -0.02 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 3kd4 s THR 492 Cb -0.14 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.40 3kd4 s THR 492 CO 0.03 0.05 -0.00 -0.51 -0.54 0.00 0.00 174.62 173.64 3kd4 s ILE 493 N -0.94 0.06 -0.04 2.99 2.07 -0.58 -0.97 121.20 123.79 3kd4 s ILE 493 Ca 0.05 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.31 3kd4 s ILE 493 Cb -0.09 -0.08 0.00 0.00 0.13 0.00 0.00 42.46 42.43 3kd4 s ILE 493 CO 0.02 0.03 -0.11 -1.83 -1.91 0.00 0.00 174.94 171.15 3kd4 s GLU 494 N 0.16 1.23 -0.15 3.50 -1.05 -0.42 -0.68 118.70 121.29 3kd4 s GLU 494 Ca -0.01 -0.37 0.01 0.00 -0.15 0.00 0.00 54.97 54.45 3kd4 s GLU 494 Cb -0.03 -1.10 0.02 0.00 -0.44 0.00 0.00 34.13 32.58 3kd4 s GLU 494 CO -0.00 0.11 -0.18 -0.51 0.95 0.00 0.00 175.26 175.63 3kd4 s LEU 495 N 0.29 1.91 -0.01 1.83 1.43 -0.07 -1.98 118.68 122.09 3kd4 s LEU 495 Ca -0.06 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.56 3kd4 s LEU 495 Cb -0.11 -1.32 0.22 0.00 0.03 0.00 0.00 46.19 45.02 3kd4 s LEU 495 CO 0.01 -0.01 1.18 0.59 0.23 0.00 0.00 176.35 178.36 3kd4 n ASN 496 N 4.55 2.67 -3.95 2.29 3.02 0.29 -2.52 115.26 121.61 3kd4 n ASN 496 Ca -0.19 -2.04 -0.10 0.00 -0.03 0.00 0.00 54.58 52.22 3kd4 n ASN 496 Cb 0.50 -0.17 -0.12 0.00 -0.61 0.00 0.00 39.78 39.39 3kd4 n ASN 496 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3kd4 s LYS 497 N -1.07 0.26 -0.19 3.52 2.20 -1.26 -5.04 119.74 118.17 3kd4 s LYS 497 Ca 0.17 -0.46 0.05 0.00 -0.36 0.00 0.00 55.97 55.38 3kd4 s LYS 497 Cb 0.09 0.10 -0.22 0.00 -1.51 0.00 0.00 37.83 36.29 3kd4 s LYS 497 CO 0.11 -0.05 0.09 1.04 -0.36 0.00 0.00 175.35 176.18 3kd4 n GLN 498 N 1.90 0.68 -4.89 4.03 6.02 -1.26 -4.86 117.38 119.01 3kd4 n GLN 498 Ca -0.21 0.16 -0.27 0.00 -0.01 0.00 0.00 57.00 56.66 3kd4 n GLN 498 Cb 0.56 -1.60 -0.15 0.00 1.02 0.00 0.00 30.24 30.07 3kd4 n GLN 498 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kd4 s GLN 499 N -2.53 1.61 -0.03 -1.09 -0.21 -1.26 -1.08 119.66 115.06 3kd4 s GLN 499 Ca -0.22 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.31 3kd4 s GLN 499 Cb 0.08 -1.63 0.02 0.00 1.00 0.00 0.00 33.01 32.48 3kd4 s GLN 499 CO 0.72 0.43 -0.02 -0.06 -2.12 0.00 0.00 175.29 174.25 3kd4 s PHE 500 N -0.63 0.48 0.80 0.91 0.40 0.14 -4.97 117.98 115.11 3kd4 s PHE 500 Ca 0.08 -0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.21 3kd4 s PHE 500 Cb -0.09 -0.49 0.07 0.00 0.51 0.00 0.00 43.02 43.03 3kd4 s PHE 500 CO 0.00 -0.14 1.10 0.95 0.70 0.00 0.00 175.22 177.83 3kd4 s THR 501 N 0.88 3.02 0.45 0.64 -4.23 -1.26 -0.60 115.64 114.54 3kd4 s THR 501 Ca -0.10 0.33 0.16 0.00 -1.18 0.00 0.00 61.69 60.90 3kd4 s THR 501 Cb -0.13 -3.07 0.33 0.00 1.34 0.00 0.00 72.50 70.97 3kd4 s THR 501 CO -0.01 -0.43 2.00 -0.65 -0.54 0.00 0.00 174.62 174.99 3kd4 h PRO 502 N -1.11 0.31 0.00 3.99 0.11 -1.85 0.10 132.00 133.55 3kd4 h PRO 502 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3kd4 h PRO 502 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3kd4 h PRO 502 CO 0.59 0.21 -0.19 0.00 -0.21 0.00 0.00 178.00 178.40 3kd4 h ALA 503 N 1.72 1.56 0.00 -0.75 0.00 -1.92 -2.78 119.26 117.09 3kd4 h ALA 503 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kd4 h ALA 503 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kd4 h ALA 503 CO -0.06 0.23 -0.82 0.39 0.00 0.00 0.00 179.25 179.00 3kd4 n GLU 504 N -4.12 0.01 -0.16 0.00 1.02 -0.10 -4.53 120.64 112.75 3kd4 n GLU 504 Ca -0.02 -0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 3kd4 n GLU 504 Cb 0.26 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.23 3kd4 n GLU 504 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3kd4 h TYR 505 N 0.00 1.07 -0.53 -0.32 3.20 -0.92 -3.07 116.97 116.40 3kd4 h TYR 505 Ca 0.00 -0.22 0.05 0.00 3.14 0.00 0.00 58.73 61.71 3kd4 h TYR 505 Cb 0.51 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 3kd4 h TYR 505 CO 0.00 1.01 0.25 1.03 -1.64 0.00 0.00 178.16 178.81 3kd4 h SER 506 N 0.86 0.34 -0.62 -2.11 0.87 -1.80 0.08 113.55 111.18 3kd4 h SER 506 Ca 0.14 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3kd4 h SER 506 Cb 0.66 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 3kd4 h SER 506 CO 0.05 0.23 0.31 0.44 -0.53 0.00 0.00 176.83 177.33 3kd4 h ASP 507 N 0.48 0.80 0.50 6.23 3.32 -1.85 -0.42 116.42 125.48 3kd4 h ASP 507 Ca 0.24 -0.12 -0.20 0.00 0.02 0.00 0.00 57.03 56.97 3kd4 h ASP 507 Cb 0.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3kd4 h ASP 507 CO -0.19 0.69 -0.87 1.62 -1.72 0.00 0.00 179.24 178.77 3kd4 h VAL 508 N 0.84 1.46 -0.84 -1.35 3.04 -1.45 -3.02 116.25 114.94 3kd4 h VAL 508 Ca 0.21 -2.53 -0.02 0.00 -1.01 0.00 0.00 66.70 63.35 3kd4 h VAL 508 Cb 0.10 2.42 -0.04 0.00 -2.01 0.00 0.00 31.29 31.76 3kd4 h VAL 508 CO -0.03 0.74 0.44 -0.09 -1.01 0.00 0.00 177.57 177.62 3kd4 h ARG 509 N 0.15 1.19 -0.27 4.17 2.43 -0.81 -0.65 114.38 120.59 3kd4 h ARG 509 Ca -0.05 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 3kd4 h ARG 509 Cb 1.50 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 3kd4 h ARG 509 CO 0.14 0.89 -0.09 0.66 -1.51 0.00 0.00 179.97 180.06 3kd4 h SER 510 N 1.18 0.41 -0.01 -3.80 4.64 -1.03 0.66 113.55 115.61 3kd4 h SER 510 Ca 0.29 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3kd4 h SER 510 Cb 0.07 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3kd4 h SER 510 CO -0.04 0.54 0.00 -0.07 -0.87 0.00 0.00 176.83 176.39 3kd4 h LEU 511 N 0.41 0.01 -0.53 5.97 3.38 -1.27 -0.74 115.31 122.53 3kd4 h LEU 511 Ca 0.08 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3kd4 h LEU 511 Cb 0.41 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3kd4 h LEU 511 CO 0.02 0.26 0.15 0.40 0.09 0.00 0.00 178.44 179.37 3kd4 h ILE 512 N -0.25 1.24 -0.71 1.22 2.04 -0.85 -1.77 117.51 118.43 3kd4 h ILE 512 Ca 0.00 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 3kd4 h ILE 512 Cb 0.26 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3kd4 h ILE 512 CO 0.00 0.30 0.27 -0.74 0.00 0.00 0.00 178.15 177.98 3kd4 h HIS 513 N 0.73 1.07 -0.77 1.37 2.76 -0.86 -1.15 115.15 118.31 3kd4 h HIS 513 Ca 0.17 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3kd4 h HIS 513 Cb 0.30 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.90 3kd4 h HIS 513 CO 0.02 0.83 0.51 1.49 -1.30 0.00 0.00 177.93 179.47 3kd4 h GLU 514 N 1.03 1.01 -0.15 5.26 4.57 -0.39 -0.06 114.58 125.85 3kd4 h GLU 514 Ca 0.24 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.31 3kd4 h GLU 514 Cb 0.22 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3kd4 h GLU 514 CO -0.02 0.67 -0.08 2.35 -1.18 0.00 0.00 179.01 180.75 3kd4 h TRP 515 N 1.04 0.36 0.00 0.92 2.91 -0.78 -3.36 115.95 117.04 3kd4 h TRP 515 Ca 0.28 -0.09 -0.14 0.00 1.13 0.00 0.00 58.89 60.07 3kd4 h TRP 515 Cb -0.12 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.43 3kd4 h TRP 515 CO 0.00 0.65 -1.26 1.79 -1.03 0.00 0.00 178.44 178.58 3kd4 h THR 516 N -0.03 0.46 -1.88 2.65 1.35 -0.91 -3.46 112.91 111.09 3kd4 h THR 516 Ca 0.03 -1.88 -0.61 0.00 -0.55 0.00 0.00 66.41 63.41 3kd4 h THR 516 Cb 0.56 2.00 0.01 0.00 -1.73 0.00 0.00 68.15 68.98 3kd4 h THR 516 CO 0.02 0.26 1.30 -3.20 -0.25 0.00 0.00 175.52 173.66 3kd4 n ASN 517 N -2.90 3.25 -0.08 5.36 5.15 -0.06 -4.85 115.26 121.14 3kd4 n ASN 517 Ca -0.07 0.62 0.10 0.00 -0.60 0.00 0.00 54.58 54.63 3kd4 n ASN 517 Cb 0.79 -1.43 0.48 0.00 -0.53 0.00 0.00 39.78 39.09 3kd4 n ASN 517 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3kd4 h PRO 518 N 11.85 0.45 -0.39 1.20 0.11 -1.90 -0.62 132.00 142.70 3kd4 h PRO 518 Ca -0.42 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.77 3kd4 h PRO 518 Cb 1.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3kd4 h PRO 518 CO 0.96 0.29 0.32 -0.44 -0.21 0.00 0.00 178.00 178.93 3kd4 h ASP 519 N 0.46 0.00 0.38 -2.05 3.32 -1.98 -0.68 116.42 115.86 3kd4 h ASP 519 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3kd4 h ASP 519 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3kd4 h ASP 519 CO -0.07 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.04 3kd4 n ASN 520 N -4.17 0.00 -0.80 6.45 3.02 -0.24 -2.07 115.26 117.45 3kd4 n ASN 520 Ca 0.06 -0.10 0.07 0.00 -0.03 0.00 0.00 54.58 54.59 3kd4 n ASN 520 Cb 0.50 -0.26 0.18 0.00 -0.61 0.00 0.00 39.78 39.59 3kd4 n ASN 520 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kd4 n ARG 521 N -1.26 2.48 -3.27 3.52 1.74 -0.26 -4.99 116.66 114.63 3kd4 n ARG 521 Ca 0.11 -2.06 -0.38 0.00 -0.77 0.00 0.00 57.85 54.74 3kd4 n ARG 521 Cb 0.17 -1.34 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 3kd4 n ARG 521 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kd4 s VAL 522 N -1.04 5.04 -0.11 1.55 1.01 -0.88 -0.37 120.40 125.60 3kd4 s VAL 522 Ca 0.28 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.37 3kd4 s VAL 522 Cb 0.15 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3kd4 s VAL 522 CO 0.20 0.39 -0.11 -0.76 0.00 0.00 0.00 175.10 174.82 3kd4 s LEU 523 N 0.11 2.84 -0.13 3.92 1.43 0.15 -4.99 118.68 122.02 3kd4 s LEU 523 Ca 0.29 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3kd4 s LEU 523 Cb -0.17 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3kd4 s LEU 523 CO 0.14 0.24 -0.04 -0.22 0.23 0.00 0.00 176.35 176.70 3kd4 s LEU 524 N -0.06 3.27 0.04 1.79 2.96 -1.26 -0.15 118.68 125.25 3kd4 s LEU 524 Ca -0.02 -0.07 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 3kd4 s LEU 524 Cb -0.14 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3kd4 s LEU 524 CO 0.04 0.24 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.75 3kd4 s PHE 525 N -0.04 1.70 0.14 5.38 0.40 -0.27 -0.07 117.98 125.23 3kd4 s PHE 525 Ca 0.01 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 3kd4 s PHE 525 Cb -0.13 -1.02 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 3kd4 s PHE 525 CO 0.03 0.07 0.11 -1.54 0.70 0.00 0.00 175.22 174.59 3kd4 s SER 526 N -1.10 5.48 0.00 1.36 1.04 0.68 -0.40 113.70 120.75 3kd4 s SER 526 Ca 0.06 -0.11 0.25 0.00 0.48 0.00 0.00 55.95 56.64 3kd4 s SER 526 Cb -0.08 -1.43 0.45 0.00 0.10 0.00 0.00 66.02 65.06 3kd4 s SER 526 CO 0.01 0.10 1.41 0.00 0.98 0.00 0.00 173.24 175.74