#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm4 s PRO 16 N 0.00 3.96 -0.45 6.28 0.04 -1.26 -4.98 135.00 138.59 1pm4 s PRO 16 Ca 0.00 2.39 -0.15 0.00 0.04 0.00 0.00 61.00 63.28 1pm4 s PRO 16 Cb 0.00 -2.83 0.06 0.00 0.04 0.00 0.00 34.50 31.77 1pm4 s PRO 16 CO 0.00 -0.58 0.36 1.21 0.04 0.00 0.00 177.00 178.03 1pm4 s ASN 17 N -0.43 6.12 -0.16 6.66 2.47 -1.26 -5.04 114.94 123.30 1pm4 s ASN 17 Ca 0.56 -1.20 -0.03 0.00 0.42 0.00 0.00 52.86 52.61 1pm4 s ASN 17 Cb -0.43 -2.17 -0.02 0.00 -1.45 0.00 0.00 41.25 37.18 1pm4 s ASN 17 CO 0.57 -0.58 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.66 1pm4 s ILE 18 N 1.65 3.49 0.38 -5.21 -1.09 -1.26 -0.70 121.20 118.45 1pm4 s ILE 18 Ca 0.04 -0.49 0.08 0.00 -2.23 0.00 0.00 60.65 58.05 1pm4 s ILE 18 Cb -0.23 -2.52 -0.03 0.00 -1.58 0.00 0.00 42.46 38.11 1pm4 s ILE 18 CO 0.08 0.49 0.33 0.00 -1.23 0.00 0.00 174.94 174.60 1pm4 s ALA 19 N 0.62 3.93 -0.14 9.38 0.00 0.02 -4.89 121.76 130.68 1pm4 s ALA 19 Ca -0.04 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.12 1pm4 s ALA 19 Cb -0.15 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.95 1pm4 s ALA 19 CO 0.03 -0.12 -0.14 0.99 0.00 0.00 0.00 175.76 176.52 1pm4 s THR 20 N -2.41 1.54 -0.09 0.00 2.01 -1.26 -0.82 115.64 114.61 1pm4 s THR 20 Ca 0.45 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 1pm4 s THR 20 Cb -0.04 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1pm4 s THR 20 CO 0.27 0.45 0.39 -0.31 -0.69 0.00 0.00 174.62 174.73 1pm4 s TYR 21 N 1.40 3.57 0.06 4.92 2.02 0.08 -4.92 117.35 124.48 1pm4 s TYR 21 Ca 0.03 0.82 0.07 0.00 -0.37 0.00 0.00 57.07 57.62 1pm4 s TYR 21 Cb -0.13 -2.39 -0.03 0.00 -0.40 0.00 0.00 41.96 39.01 1pm4 s TYR 21 CO -0.09 0.35 -0.19 0.95 -1.57 0.00 0.00 175.55 175.00 1pm4 s THR 22 N -0.00 1.55 0.00 -0.71 -4.23 -1.26 0.09 115.64 111.08 1pm4 s THR 22 Ca 0.22 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1pm4 s THR 22 Cb -0.15 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1pm4 s THR 22 CO 0.09 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 1pm4 n GLY 23 N 1.68 1.35 3.01 3.99 0.00 -0.61 -5.01 105.19 109.60 1pm4 n GLY 23 Ca -0.18 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 1pm4 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pm4 s THR 24 N -2.33 0.88 -0.17 2.61 2.01 -1.26 -0.70 115.64 116.68 1pm4 s THR 24 Ca 0.00 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1pm4 s THR 24 Cb 0.00 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.74 1pm4 s THR 24 CO 0.00 0.28 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.50 1pm4 s ILE 25 N 0.28 2.02 0.88 1.82 2.07 0.93 -4.91 121.20 124.29 1pm4 s ILE 25 Ca -0.05 -0.92 -0.11 0.00 -1.41 0.00 0.00 60.65 58.16 1pm4 s ILE 25 Cb -0.10 -1.83 0.13 0.00 0.13 0.00 0.00 42.46 40.79 1pm4 s ILE 25 CO 0.01 0.53 1.15 -1.10 -1.91 0.00 0.00 174.94 173.62 1pm4 s GLN 26 N 1.27 1.24 0.11 3.50 -0.21 -1.26 -1.42 119.66 122.88 1pm4 s GLN 26 Ca 0.04 1.54 -0.35 0.00 0.02 0.00 0.00 55.36 56.60 1pm4 s GLN 26 Cb -0.13 -1.75 -0.17 0.00 1.00 0.00 0.00 33.01 31.96 1pm4 s GLN 26 CO -0.12 -2.47 1.25 0.41 -2.12 0.00 0.00 175.29 172.24 1pm4 n GLY 27 N 0.09 0.24 3.20 3.09 0.00 -1.26 -0.98 105.19 109.58 1pm4 n GLY 27 Ca 0.12 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1pm4 n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pm4 n LYS 28 N 2.16 -1.50 -1.62 1.61 4.76 -0.26 -4.94 118.16 118.38 1pm4 n LYS 28 Ca 0.17 0.37 -0.30 0.00 -2.87 0.00 0.00 58.31 55.69 1pm4 n LYS 28 Cb 0.20 -4.83 0.09 0.00 -1.84 0.00 0.00 35.03 28.65 1pm4 n LYS 28 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1pm4 s GLY 29 N -2.00 1.61 -0.01 0.72 0.00 -0.15 -4.66 107.32 102.83 1pm4 s GLY 29 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.43 1pm4 s GLY 29 CO 0.00 0.13 -0.10 -1.83 0.00 0.00 0.00 173.10 171.30 1pm4 s GLU 30 N -5.24 0.91 -0.05 2.90 -1.05 -1.26 -0.80 118.70 114.11 1pm4 s GLU 30 Ca 0.61 -0.36 0.02 0.00 -0.15 0.00 0.00 54.97 55.09 1pm4 s GLU 30 Cb -0.14 -0.87 0.02 0.00 -0.44 0.00 0.00 34.13 32.70 1pm4 s GLU 30 CO 0.53 0.19 -0.09 0.08 0.95 0.00 0.00 175.26 176.93 1pm4 s VAL 31 N -0.10 0.86 -0.07 1.83 1.01 -0.10 -4.92 120.40 118.90 1pm4 s VAL 31 Ca 0.02 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1pm4 s VAL 31 Cb -0.06 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1pm4 s VAL 31 CO -0.00 0.29 -0.16 0.00 0.00 0.00 0.00 175.10 175.23 1pm4 s ILE 33 N -0.30 1.72 0.14 0.00 1.01 -0.31 -0.40 121.20 123.05 1pm4 s ILE 33 Ca 0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 1pm4 s ILE 33 Cb -0.13 -1.56 -0.06 0.00 0.01 0.00 0.00 42.46 40.72 1pm4 s ILE 33 CO 0.03 0.48 0.40 -0.51 0.00 0.00 0.00 174.94 175.34 1pm4 s ILE 34 N 1.10 5.12 0.09 2.92 2.07 0.44 -0.96 121.20 131.99 1pm4 s ILE 34 Ca -0.03 0.19 0.06 0.00 -1.41 0.00 0.00 60.65 59.47 1pm4 s ILE 34 Cb -0.14 -3.63 -0.03 0.00 0.13 0.00 0.00 42.46 38.79 1pm4 s ILE 34 CO -0.05 0.09 -0.16 -0.83 -1.91 0.00 0.00 174.94 172.07 1pm4 s GLY 35 N -2.25 1.04 -1.34 1.50 0.00 -0.28 -4.77 107.32 101.22 1pm4 s GLY 35 Ca 0.40 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 1pm4 s GLY 35 CO 0.22 -1.17 0.54 -2.01 0.00 0.00 0.00 173.10 170.68 1pm4 n ASN 36 N 1.06 -1.36 -0.04 1.64 5.15 -1.26 -2.16 115.26 118.29 1pm4 n ASN 36 Ca -0.19 -0.98 -0.07 0.00 -0.60 0.00 0.00 54.58 52.74 1pm4 n ASN 36 Cb 0.54 -3.28 0.11 0.00 -0.53 0.00 0.00 39.78 36.62 1pm4 n ASN 36 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 1pm4 h LYS 37 N -1.86 0.65 0.00 1.20 2.10 -1.92 0.11 116.57 116.85 1pm4 h LYS 37 Ca -0.63 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 57.73 1pm4 h LYS 37 Cb 1.37 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1pm4 h LYS 37 CO 0.59 0.88 0.00 -0.85 -2.00 0.00 0.00 179.45 178.06 1pm4 n GLU 38 N -4.08 0.63 -3.77 0.07 0.00 -1.26 -4.80 120.64 107.43 1pm4 n GLU 38 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.90 1pm4 n GLU 38 Cb 0.46 -1.26 0.02 0.00 0.00 0.00 0.00 31.44 30.66 1pm4 n GLU 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pm4 n GLY 39 N 0.19 -0.47 3.79 -1.84 0.00 0.37 -4.97 105.19 102.27 1pm4 n GLY 39 Ca 0.08 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 1pm4 n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pm4 s LYS 40 N -6.13 3.18 0.15 1.61 -2.85 -1.26 -3.93 119.74 110.50 1pm4 s LYS 40 Ca 0.14 1.35 -0.30 0.00 -1.00 0.00 0.00 55.97 56.16 1pm4 s LYS 40 Cb -0.04 -2.00 -0.07 0.00 -2.06 0.00 0.00 37.83 33.65 1pm4 s LYS 40 CO 0.85 -0.94 1.21 0.99 0.10 0.00 0.00 175.35 177.56 1pm4 s THR 41 N -2.25 3.68 0.01 3.79 2.01 -1.26 -4.06 115.64 117.55 1pm4 s THR 41 Ca 0.67 1.34 -0.15 0.00 0.31 0.00 0.00 61.69 63.85 1pm4 s THR 41 Cb -0.19 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.49 1pm4 s THR 41 CO 0.35 0.18 0.32 -0.60 -0.69 0.00 0.00 174.62 174.18 1pm4 s ARG 42 N 0.20 0.74 -0.01 4.92 6.06 -1.26 -4.95 118.95 124.65 1pm4 s ARG 42 Ca 0.55 -0.30 0.02 0.00 -2.50 0.00 0.00 55.73 53.50 1pm4 s ARG 42 Cb -0.32 0.33 0.00 0.00 0.06 0.00 0.00 34.95 35.02 1pm4 s ARG 42 CO 0.34 -0.22 -0.06 0.20 -2.50 0.00 0.00 175.30 173.06 1pm4 s GLY 43 N -1.63 0.35 0.00 8.12 0.00 -1.26 -4.37 107.32 108.53 1pm4 s GLY 43 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1pm4 s GLY 43 CO 0.01 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.67 1pm4 n GLY 44 N 3.22 0.39 3.82 0.20 0.00 0.45 -4.98 105.19 108.29 1pm4 n GLY 44 Ca -0.16 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 1pm4 n GLY 44 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pm4 s GLU 45 N -2.00 3.90 -0.11 1.61 2.12 -1.26 -1.69 118.70 121.27 1pm4 s GLU 45 Ca 0.00 0.23 -0.10 0.00 0.36 0.00 0.00 54.97 55.46 1pm4 s GLU 45 Cb 0.00 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 1pm4 s GLU 45 CO 0.00 0.59 0.21 -0.51 -0.54 0.00 0.00 175.26 175.02 1pm4 s LEU 46 N -0.67 4.36 0.00 2.70 1.43 0.21 -4.95 118.68 121.76 1pm4 s LEU 46 Ca 0.20 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1pm4 s LEU 46 Cb -0.15 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 1pm4 s LEU 46 CO 0.09 0.32 -0.06 -0.47 0.23 0.00 0.00 176.35 176.46 1pm4 s TYR 47 N -0.62 0.50 0.01 0.29 5.04 -1.26 -1.42 117.35 119.88 1pm4 s TYR 47 Ca 0.16 -0.13 -0.22 0.00 -2.44 0.00 0.00 57.07 54.44 1pm4 s TYR 47 Cb -0.13 -0.32 0.05 0.00 0.35 0.00 0.00 41.96 41.91 1pm4 s TYR 47 CO 0.05 -0.01 0.49 0.00 -1.34 0.00 0.00 175.55 174.73 1pm4 s ALA 48 N -0.24 -1.25 -0.06 3.97 0.00 -0.51 -1.05 121.76 122.62 1pm4 s ALA 48 Ca 0.01 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.59 1pm4 s ALA 48 Cb -0.03 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1pm4 s ALA 48 CO -0.00 -0.40 0.14 0.54 0.00 0.00 0.00 175.76 176.04 1pm4 s VAL 49 N -1.87 -0.03 -0.07 0.00 0.11 0.02 -1.08 120.40 117.48 1pm4 s VAL 49 Ca -0.09 0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 58.91 1pm4 s VAL 49 Cb -0.02 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.56 1pm4 s VAL 49 CO 0.03 0.04 0.38 -0.22 -3.33 0.00 0.00 175.10 172.00 1pm4 s LEU 50 N 0.68 4.37 0.19 2.54 2.96 -1.26 -1.45 118.68 126.72 1pm4 s LEU 50 Ca -0.05 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 1pm4 s LEU 50 Cb -0.07 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1pm4 s LEU 50 CO -0.03 0.20 0.07 -1.00 -1.32 0.00 0.00 176.35 174.27 1pm4 s HIS 51 N -0.34 1.21 -0.15 5.38 3.76 0.70 -0.68 115.29 125.17 1pm4 s HIS 51 Ca 0.22 -1.20 -0.13 0.00 -0.15 0.00 0.00 55.06 53.79 1pm4 s HIS 51 Cb -0.15 -0.67 0.04 0.00 1.11 0.00 0.00 32.58 32.91 1pm4 s HIS 51 CO 0.10 -0.42 0.40 0.45 -0.85 0.00 0.00 174.74 174.42 1pm4 s SER 52 N -3.18 -0.42 0.12 1.40 0.15 -1.26 -0.84 113.70 109.66 1pm4 s SER 52 Ca 0.32 0.81 0.17 0.00 0.70 0.00 0.00 55.95 57.95 1pm4 s SER 52 Cb 0.07 0.81 0.74 0.00 -1.71 0.00 0.00 66.02 65.93 1pm4 s SER 52 CO 0.08 -0.14 1.53 0.35 1.20 0.00 0.00 173.24 176.26 1pm4 n THR 53 N 2.98 1.03 -2.50 6.45 -2.24 -1.26 -4.49 114.28 114.25 1pm4 n THR 53 Ca -0.14 0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.51 1pm4 n THR 53 Cb 0.57 -1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 1pm4 n THR 53 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pm4 s ASN 54 N -3.55 6.50 0.55 3.42 2.47 -1.26 -4.90 114.94 118.18 1pm4 s ASN 54 Ca 0.05 0.59 0.33 0.00 0.42 0.00 0.00 52.86 54.24 1pm4 s ASN 54 Cb 0.08 -2.55 1.54 0.00 -1.45 0.00 0.00 41.25 38.87 1pm4 s ASN 54 CO 0.28 -1.34 2.06 0.58 -3.72 0.00 0.00 177.10 174.96 1pm4 h VAL 55 N 6.33 0.22 -0.54 -5.21 2.07 -2.01 -1.52 116.25 115.60 1pm4 h VAL 55 Ca -0.25 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1pm4 h VAL 55 Cb 1.08 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1pm4 h VAL 55 CO 1.12 0.06 0.00 0.59 0.02 0.00 0.00 177.57 179.36 1pm4 n ASN 56 N -3.27 2.91 -4.77 0.57 3.02 -1.26 -4.99 115.26 107.47 1pm4 n ASN 56 Ca -0.01 -2.01 -0.40 0.00 -0.03 0.00 0.00 54.58 52.13 1pm4 n ASN 56 Cb 0.26 -0.37 0.01 0.00 -0.61 0.00 0.00 39.78 39.07 1pm4 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pm4 s ALA 57 N -1.29 3.40 -0.35 5.41 0.00 -0.57 -4.99 121.76 123.37 1pm4 s ALA 57 Ca 0.36 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.84 1pm4 s ALA 57 Cb 0.19 -3.60 0.11 0.00 0.00 0.00 0.00 23.12 19.82 1pm4 s ALA 57 CO 0.24 -1.12 0.12 0.34 0.00 0.00 0.00 175.76 175.35 1pm4 s ASP 58 N -0.34 4.14 0.04 0.00 -1.08 -1.26 -5.00 116.67 113.16 1pm4 s ASP 58 Ca 0.57 -2.00 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 1pm4 s ASP 58 Cb -0.45 -1.10 -0.03 0.00 -1.46 0.00 0.00 42.92 39.88 1pm4 s ASP 58 CO 0.59 -0.37 -0.04 -0.04 0.52 0.00 0.00 175.17 175.83 1pm4 s MET 59 N 1.14 0.50 -0.04 4.34 -1.94 -1.26 -0.68 119.30 121.35 1pm4 s MET 59 Ca 0.12 -0.88 0.07 0.00 -1.71 0.00 0.00 55.69 53.29 1pm4 s MET 59 Cb -0.19 0.01 -0.02 0.00 2.01 0.00 0.00 34.83 36.64 1pm4 s MET 59 CO -0.15 -0.04 -0.25 0.99 -0.01 0.00 0.00 175.02 175.55 1pm4 s THR 60 N -2.33 2.04 -0.18 2.05 2.01 -0.40 -1.79 115.64 117.05 1pm4 s THR 60 Ca -0.06 -1.09 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 1pm4 s THR 60 Cb -0.04 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 1pm4 s THR 60 CO -0.03 0.57 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.22 1pm4 s LEU 61 N -0.42 3.17 -0.11 4.42 2.96 -0.12 -1.00 118.68 127.59 1pm4 s LEU 61 Ca 0.04 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1pm4 s LEU 61 Cb -0.12 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1pm4 s LEU 61 CO 0.01 0.11 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.32 1pm4 s ILE 62 N 0.72 1.77 -0.27 6.68 1.01 0.12 -0.75 121.20 130.48 1pm4 s ILE 62 Ca -0.01 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1pm4 s ILE 62 Cb -0.14 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1pm4 s ILE 62 CO 0.02 0.49 0.62 -0.22 0.00 0.00 0.00 174.94 175.86 1pm4 s LEU 63 N 0.70 4.09 0.03 2.97 2.96 -0.49 -0.30 118.68 128.63 1pm4 s LEU 63 Ca -0.12 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 1pm4 s LEU 63 Cb -0.16 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1pm4 s LEU 63 CO 0.02 -0.40 -0.04 -0.76 -1.32 0.00 0.00 176.35 173.85 1pm4 s LEU 64 N 2.53 3.30 0.07 -0.68 1.43 0.98 -0.25 118.68 126.06 1pm4 s LEU 64 Ca 0.25 -0.14 0.09 0.00 -1.03 0.00 0.00 54.13 53.31 1pm4 s LEU 64 Cb -0.15 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1pm4 s LEU 64 CO 0.10 0.25 -0.25 -0.60 0.23 0.00 0.00 176.35 176.07 1pm4 s ARG 65 N -1.71 1.58 -0.18 1.70 3.52 -0.32 -0.99 118.95 122.55 1pm4 s ARG 65 Ca 0.20 -1.16 -0.27 0.00 -0.13 0.00 0.00 55.73 54.37 1pm4 s ARG 65 Cb -0.11 -1.84 -0.01 0.00 -1.56 0.00 0.00 34.95 31.43 1pm4 s ARG 65 CO 0.11 0.46 0.93 1.21 -0.81 0.00 0.00 175.30 177.20 1pm4 s ASN 66 N -1.51 7.05 -0.12 -2.12 3.04 -1.20 -1.16 114.94 118.91 1pm4 s ASN 66 Ca 0.11 1.29 -0.15 0.00 0.04 0.00 0.00 52.86 54.16 1pm4 s ASN 66 Cb -0.10 -2.50 -0.13 0.00 -1.54 0.00 0.00 41.25 36.98 1pm4 s ASN 66 CO 0.03 -0.49 0.36 0.58 -3.04 0.00 0.00 177.10 174.54 1pm4 h VAL 67 N 5.26 0.87 -0.01 -5.21 2.07 -1.45 -3.43 116.25 114.35 1pm4 h VAL 67 Ca -0.26 -1.67 -0.15 0.00 0.82 0.00 0.00 66.70 65.44 1pm4 h VAL 67 Cb 1.11 1.66 -0.17 0.00 -1.52 0.00 0.00 31.29 32.37 1pm4 h VAL 67 CO 0.88 0.29 -0.39 0.61 0.02 0.00 0.00 177.57 178.99 1pm4 n GLY 68 N 1.68 0.94 2.34 2.17 0.00 -1.26 -4.88 105.19 106.18 1pm4 n GLY 68 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1pm4 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pm4 n GLY 69 N -0.32 0.92 0.21 -0.02 0.00 -1.26 -4.92 105.19 99.80 1pm4 n GLY 69 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1pm4 n GLY 69 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pm4 h ASN 70 N 0.00 0.00 -1.82 1.61 2.35 -1.93 -3.49 115.58 112.30 1pm4 h ASN 70 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pm4 h ASN 70 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1pm4 h ASN 70 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1pm4 n GLY 71 N 0.87 0.79 3.62 2.83 0.00 -1.26 -5.00 105.19 107.03 1pm4 n GLY 71 Ca 0.03 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 1pm4 n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pm4 s TRP 72 N -1.68 3.00 -0.00 1.61 0.52 -1.26 -1.02 118.94 120.11 1pm4 s TRP 72 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.19 1pm4 s TRP 72 Cb 0.00 -1.71 0.00 0.00 -1.15 0.00 0.00 33.47 30.61 1pm4 s TRP 72 CO 0.00 0.39 -0.01 0.20 0.02 0.00 0.00 176.95 177.55 1pm4 s GLY 73 N -0.99 0.06 0.24 0.98 0.00 -0.31 -4.96 107.32 102.35 1pm4 s GLY 73 Ca 0.14 -0.01 -0.31 0.00 0.00 0.00 0.00 44.72 44.55 1pm4 s GLY 73 CO 0.03 0.05 1.55 1.85 0.00 0.00 0.00 173.10 176.59 1pm4 s GLU 74 N 0.10 4.19 -0.17 2.90 2.12 -1.26 -1.17 118.70 125.40 1pm4 s GLU 74 Ca -0.01 2.45 -0.17 0.00 0.36 0.00 0.00 54.97 57.60 1pm4 s GLU 74 Cb -0.02 -3.08 -0.14 0.00 0.26 0.00 0.00 34.13 31.15 1pm4 s GLU 74 CO -0.00 -0.57 0.15 0.82 -0.54 0.00 0.00 175.26 175.11 1pm4 h ILE 75 N 3.62 0.68 -2.60 -3.70 2.04 -0.98 -3.47 117.51 113.12 1pm4 h ILE 75 Ca -0.45 -1.78 0.13 0.00 1.00 0.00 0.00 64.86 63.76 1pm4 h ILE 75 Cb 1.21 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 1pm4 h ILE 75 CO 0.83 0.23 0.43 -1.59 0.00 0.00 0.00 178.15 178.05 1pm4 s LYS 76 N -2.25 1.49 0.08 2.37 -2.85 -1.23 -5.04 119.74 112.30 1pm4 s LYS 76 Ca -0.22 -0.87 -0.08 0.00 -1.00 0.00 0.00 55.97 53.80 1pm4 s LYS 76 Cb 0.03 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1pm4 s LYS 76 CO 0.45 -0.69 0.16 -0.98 0.10 0.00 0.00 175.35 174.40 1pm4 s ARG 77 N -3.04 0.79 0.11 1.78 1.70 -1.26 -1.40 118.95 117.63 1pm4 s ARG 77 Ca 0.14 -0.95 -0.10 0.00 -0.47 0.00 0.00 55.73 54.36 1pm4 s ARG 77 Cb -0.03 0.32 0.01 0.00 -0.57 0.00 0.00 34.95 34.67 1pm4 s ARG 77 CO 0.05 -0.23 0.25 -0.80 -1.08 0.00 0.00 175.30 173.49 1pm4 s ASN 78 N -2.75 0.03 0.87 -2.89 -0.87 0.07 -5.00 114.94 104.40 1pm4 s ASN 78 Ca 0.04 -0.61 -0.12 0.00 -1.57 0.00 0.00 52.86 50.59 1pm4 s ASN 78 Cb 0.04 0.39 0.12 0.00 -0.02 0.00 0.00 41.25 41.78 1pm4 s ASN 78 CO -0.10 -0.79 1.14 -1.81 -2.57 0.00 0.00 177.10 172.98 1pm4 s ASP 79 N -2.87 3.86 0.29 -1.22 1.01 -1.26 -0.95 116.67 115.54 1pm4 s ASP 79 Ca 0.06 0.96 -0.29 0.00 0.71 0.00 0.00 52.55 54.00 1pm4 s ASP 79 Cb 0.04 -1.54 -0.14 0.00 1.01 0.00 0.00 42.92 42.29 1pm4 s ASP 79 CO -0.09 -2.33 1.11 0.00 0.21 0.00 0.00 175.17 174.07 1pm4 n ILE 80 N -3.62 1.83 -0.69 0.77 3.06 -0.74 -2.28 119.36 117.70 1pm4 n ILE 80 Ca 0.07 -0.46 0.00 0.00 -2.50 0.00 0.00 62.75 59.86 1pm4 n ILE 80 Cb 0.59 -1.14 0.00 0.00 0.54 0.00 0.00 39.64 39.63 1pm4 n ILE 80 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1pm4 n ASP 81 N 1.25 0.00 -4.47 9.51 8.00 0.15 -4.98 116.55 126.01 1pm4 n ASP 81 Ca 0.09 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.20 1pm4 n ASP 81 Cb 0.32 -0.38 -0.11 0.00 -0.02 0.00 0.00 41.12 40.93 1pm4 n ASP 81 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1pm4 s LYS 82 N -0.12 3.36 0.48 -1.24 -0.14 -0.97 -4.95 119.74 116.16 1pm4 s LYS 82 Ca 0.00 -0.71 -0.23 0.00 -1.36 0.00 0.00 55.97 53.67 1pm4 s LYS 82 Cb 0.00 -3.66 -0.07 0.00 -1.68 0.00 0.00 37.83 32.43 1pm4 s LYS 82 CO 0.00 -0.44 1.22 -1.25 -0.76 0.00 0.00 175.35 174.12 1pm4 s PRO 83 N 1.65 3.59 -0.20 -1.68 0.05 -1.26 -4.67 135.00 132.47 1pm4 s PRO 83 Ca 0.05 1.91 -0.04 0.00 0.05 0.00 0.00 61.00 62.97 1pm4 s PRO 83 Cb -0.17 -2.37 -0.01 0.00 0.05 0.00 0.00 34.50 32.00 1pm4 s PRO 83 CO 0.08 -0.73 -0.04 -1.17 0.05 0.00 0.00 177.00 175.19 1pm4 s LEU 84 N -3.16 3.00 0.02 -3.56 0.20 -0.24 -5.00 118.68 109.93 1pm4 s LEU 84 Ca 0.66 -0.32 0.06 0.00 0.69 0.00 0.00 54.13 55.22 1pm4 s LEU 84 Cb -0.32 -1.75 -0.02 0.00 -0.43 0.00 0.00 46.19 43.67 1pm4 s LEU 84 CO 0.38 0.03 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.74 1pm4 s LYS 85 N 1.20 1.38 -0.22 1.98 1.02 -1.26 -1.42 119.74 122.42 1pm4 s LYS 85 Ca 0.03 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 55.11 1pm4 s LYS 85 Cb -0.14 -1.41 0.07 0.00 -0.52 0.00 0.00 37.83 35.82 1pm4 s LYS 85 CO -0.01 0.37 0.52 -0.47 -0.92 0.00 0.00 175.35 174.85 1pm4 s TYR 86 N -0.64 -0.83 -0.16 3.18 5.04 -0.51 -4.99 117.35 118.44 1pm4 s TYR 86 Ca 0.07 1.67 -0.07 0.00 -2.44 0.00 0.00 57.07 56.30 1pm4 s TYR 86 Cb -0.08 0.43 -0.04 0.00 0.35 0.00 0.00 41.96 42.62 1pm4 s TYR 86 CO 0.01 -0.44 0.06 -1.21 -1.34 0.00 0.00 175.55 172.62 1pm4 s GLU 87 N 1.69 3.81 -0.05 4.97 2.02 -1.26 -0.62 118.70 129.26 1pm4 s GLU 87 Ca -0.09 -0.34 0.02 0.00 0.02 0.00 0.00 54.97 54.58 1pm4 s GLU 87 Cb -0.08 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 31.01 1pm4 s GLU 87 CO -0.16 0.37 -0.09 0.34 0.02 0.00 0.00 175.26 175.74 1pm4 s ASP 88 N 0.10 1.39 -0.12 -0.19 -1.08 -0.68 -4.99 116.67 111.09 1pm4 s ASP 88 Ca 0.05 -0.22 0.15 0.00 -0.52 0.00 0.00 52.55 52.01 1pm4 s ASP 88 Cb -0.12 -0.61 0.35 0.00 -1.46 0.00 0.00 42.92 41.08 1pm4 s ASP 88 CO 0.01 0.01 1.17 -1.22 0.52 0.00 0.00 175.17 175.66 1pm4 n TYR 89 N 3.79 0.00 -2.01 -5.34 4.01 -1.26 -0.41 117.16 115.93 1pm4 n TYR 89 Ca -0.23 -0.97 -0.39 0.00 -0.16 0.00 0.00 57.90 56.15 1pm4 n TYR 89 Cb 0.52 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 39.37 1pm4 n TYR 89 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1pm4 s TYR 90 N -1.97 2.67 0.05 -0.72 2.02 -1.26 -4.93 117.35 113.21 1pm4 s TYR 90 Ca 0.31 1.42 -0.14 0.00 -0.37 0.00 0.00 57.07 58.30 1pm4 s TYR 90 Cb 0.32 -3.65 -0.32 0.00 -0.40 0.00 0.00 41.96 37.90 1pm4 s TYR 90 CO -0.07 -2.22 1.06 1.79 -1.57 0.00 0.00 175.55 174.54 1pm4 h THR 91 N 2.06 1.31 -3.67 -0.71 1.35 -1.98 -3.41 112.91 107.86 1pm4 h THR 91 Ca -0.50 -2.66 -0.50 0.00 -0.55 0.00 0.00 66.41 62.19 1pm4 h THR 91 Cb 1.26 2.91 -0.02 0.00 -1.73 0.00 0.00 68.15 70.57 1pm4 h THR 91 CO 0.61 0.80 0.36 -0.55 -0.25 0.00 0.00 175.52 176.48 1pm4 s SER 92 N -7.47 7.58 0.56 5.36 0.15 -1.26 -4.74 113.70 113.87 1pm4 s SER 92 Ca -0.08 1.89 -0.18 0.00 0.70 0.00 0.00 55.95 58.28 1pm4 s SER 92 Cb 0.05 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.71 1pm4 s SER 92 CO 0.93 0.06 1.07 -0.83 1.20 0.00 0.00 173.24 175.67 1pm4 s GLY 93 N -0.66 2.32 0.01 9.45 0.00 -1.25 -4.81 107.32 112.37 1pm4 s GLY 93 Ca 0.44 0.54 -0.14 0.00 0.00 0.00 0.00 44.72 45.56 1pm4 s GLY 93 CO 0.31 0.86 0.29 1.08 0.00 0.00 0.00 173.10 175.64 1pm4 s LEU 94 N -4.13 0.95 0.40 0.66 1.43 -1.26 -4.77 118.68 111.96 1pm4 s LEU 94 Ca 0.66 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1pm4 s LEU 94 Cb -0.18 1.22 -0.01 0.00 0.03 0.00 0.00 46.19 47.26 1pm4 s LEU 94 CO 0.31 -0.50 0.60 -0.94 0.23 0.00 0.00 176.35 176.05 1pm4 s SER 95 N -1.61 5.96 0.09 2.29 1.04 -1.26 -4.74 113.70 115.48 1pm4 s SER 95 Ca -0.10 0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.55 1pm4 s SER 95 Cb -0.04 -1.57 -0.04 0.00 0.10 0.00 0.00 66.02 64.47 1pm4 s SER 95 CO 0.01 -0.55 -0.07 -1.66 0.98 0.00 0.00 173.24 171.95 1pm4 s TRP 96 N -2.42 0.86 -0.05 5.02 -2.14 -0.92 -3.26 118.94 116.04 1pm4 s TRP 96 Ca 0.46 -0.89 0.03 0.00 2.66 0.00 0.00 56.10 58.36 1pm4 s TRP 96 Cb -0.10 -0.50 0.00 0.00 -3.10 0.00 0.00 33.47 29.77 1pm4 s TRP 96 CO 0.36 -0.15 -0.14 0.42 -2.66 0.00 0.00 176.95 174.78 1pm4 s ILE 97 N -3.47 1.21 -0.35 0.66 1.01 -0.16 -1.12 121.20 118.98 1pm4 s ILE 97 Ca 0.10 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 1pm4 s ILE 97 Cb 0.04 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 1pm4 s ILE 97 CO -0.05 0.36 0.53 0.26 0.00 0.00 0.00 174.94 176.04 1pm4 s TRP 98 N 0.25 3.18 -0.23 3.97 0.52 -0.13 -0.01 118.94 126.48 1pm4 s TRP 98 Ca -0.07 0.21 -0.09 0.00 0.02 0.00 0.00 56.10 56.17 1pm4 s TRP 98 Cb -0.12 -2.94 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 1pm4 s TRP 98 CO 0.02 -0.54 0.12 0.21 0.02 0.00 0.00 176.95 176.78 1pm4 s LYS 99 N 2.42 3.92 -0.26 4.98 2.20 0.59 -1.17 119.74 132.43 1pm4 s LYS 99 Ca 0.19 -0.35 -0.09 0.00 -0.36 0.00 0.00 55.97 55.37 1pm4 s LYS 99 Cb -0.15 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1pm4 s LYS 99 CO 0.13 0.01 0.12 0.42 -0.36 0.00 0.00 175.35 175.67 1pm4 s ILE 100 N 1.14 4.73 -0.18 5.43 1.01 0.16 -0.70 121.20 132.79 1pm4 s ILE 100 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 1pm4 s ILE 100 Cb -0.14 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1pm4 s ILE 100 CO 0.04 0.31 -0.07 -0.75 0.00 0.00 0.00 174.94 174.47 1pm4 s LYS 101 N 1.64 3.45 -0.52 2.79 2.47 -0.17 -0.93 119.74 128.48 1pm4 s LYS 101 Ca 0.07 -0.62 -0.24 0.00 -1.56 0.00 0.00 55.97 53.62 1pm4 s LYS 101 Cb -0.15 -2.88 0.04 0.00 -1.46 0.00 0.00 37.83 33.37 1pm4 s LYS 101 CO 0.07 0.02 0.91 1.21 0.16 0.00 0.00 175.35 177.72 1pm4 s ASN 102 N 0.90 6.38 0.42 1.43 2.47 0.02 -1.28 114.94 125.28 1pm4 s ASN 102 Ca -0.01 -0.24 0.26 0.00 0.42 0.00 0.00 52.86 53.28 1pm4 s ASN 102 Cb -0.15 -2.43 0.66 0.00 -1.45 0.00 0.00 41.25 37.88 1pm4 s ASN 102 CO 0.01 -1.15 1.72 0.78 -3.72 0.00 0.00 177.10 174.74 1pm4 h ASN 103 N 9.22 0.00 -3.57 -4.21 2.35 -1.22 -3.21 115.58 114.93 1pm4 h ASN 103 Ca -0.26 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.00 1pm4 h ASN 103 Cb 1.08 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.45 1pm4 h ASN 103 CO 1.06 0.00 0.06 -0.55 -1.65 0.00 0.00 177.43 176.35 1pm4 s SER 104 N -5.76 6.46 0.00 5.81 0.15 -1.15 -4.84 113.70 114.37 1pm4 s SER 104 Ca 0.06 1.01 0.27 0.00 0.70 0.00 0.00 55.95 57.99 1pm4 s SER 104 Cb 0.07 -2.27 1.19 0.00 -1.71 0.00 0.00 66.02 63.30 1pm4 s SER 104 CO 0.62 -0.39 1.87 -1.20 1.20 0.00 0.00 173.24 175.34 1pm4 n SER 105 N -1.39 0.00 -4.66 5.45 7.64 -1.26 -1.10 113.62 118.30 1pm4 n SER 105 Ca 0.01 0.39 -0.42 0.00 1.01 0.00 0.00 58.87 59.86 1pm4 n SER 105 Cb 0.54 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 1pm4 n SER 105 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1pm4 s GLU 106 N -2.92 4.25 0.12 1.43 2.12 -1.26 -4.00 118.70 118.44 1pm4 s GLU 106 Ca 0.15 1.22 -0.31 0.00 0.36 0.00 0.00 54.97 56.39 1pm4 s GLU 106 Cb 0.18 -3.63 -0.09 0.00 0.26 0.00 0.00 34.13 30.85 1pm4 s GLU 106 CO 0.48 -0.55 1.58 0.99 -0.54 0.00 0.00 175.26 177.22 1pm4 s THR 107 N 2.93 2.88 0.03 -1.70 2.01 -1.26 -4.26 115.64 116.26 1pm4 s THR 107 Ca 0.41 0.52 0.02 0.00 0.31 0.00 0.00 61.69 62.96 1pm4 s THR 107 Cb -0.15 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 1pm4 s THR 107 CO 0.08 0.02 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.51 1pm4 s SER 108 N 1.66 0.86 0.62 3.53 0.01 -0.51 -4.92 113.70 114.96 1pm4 s SER 108 Ca 0.71 -0.42 -0.19 0.00 1.31 0.00 0.00 55.95 57.36 1pm4 s SER 108 Cb -0.41 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.79 1pm4 s SER 108 CO 0.31 -0.11 1.31 0.21 0.41 0.00 0.00 173.24 175.37 1pm4 s ASN 109 N -1.16 4.78 0.11 2.44 3.84 -1.26 -0.05 114.94 123.63 1pm4 s ASN 109 Ca -0.06 2.67 0.03 0.00 0.21 0.00 0.00 52.86 55.71 1pm4 s ASN 109 Cb -0.08 -2.62 -0.04 0.00 -0.55 0.00 0.00 41.25 37.96 1pm4 s ASN 109 CO 0.00 -1.89 -0.09 -0.72 -2.79 0.00 0.00 177.10 171.61 1pm4 s TYR 110 N -1.37 1.04 -0.01 0.43 -0.85 0.12 -4.43 117.35 112.30 1pm4 s TYR 110 Ca 0.80 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 1pm4 s TYR 110 Cb -0.38 -0.57 0.01 0.00 0.38 0.00 0.00 41.96 41.40 1pm4 s TYR 110 CO 0.42 -0.03 0.00 -1.54 -1.52 0.00 0.00 175.55 172.89 1pm4 s SER 111 N -2.77 0.13 -0.20 -0.18 1.04 -0.02 -1.57 113.70 110.13 1pm4 s SER 111 Ca 0.10 -0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.54 1pm4 s SER 111 Cb 0.01 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.11 1pm4 s SER 111 CO -0.01 -0.04 -0.15 -0.22 0.98 0.00 0.00 173.24 173.79 1pm4 s LEU 112 N 0.42 2.43 -0.19 2.42 2.96 0.11 -0.21 118.68 126.62 1pm4 s LEU 112 Ca -0.04 -0.86 -0.21 0.00 -0.22 0.00 0.00 54.13 52.80 1pm4 s LEU 112 Cb -0.06 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 1pm4 s LEU 112 CO -0.01 -0.08 0.66 -1.81 -1.32 0.00 0.00 176.35 173.79 1pm4 s ASP 113 N 1.29 6.73 -0.03 3.68 1.01 -0.53 -0.74 116.67 128.08 1pm4 s ASP 113 Ca 0.00 0.89 -0.10 0.00 0.71 0.00 0.00 52.55 54.05 1pm4 s ASP 113 Cb -0.15 -2.37 0.01 0.00 1.01 0.00 0.00 42.92 41.43 1pm4 s ASP 113 CO -0.10 -0.29 0.22 0.00 0.21 0.00 0.00 175.17 175.21 1pm4 s ALA 114 N 1.93 -0.55 0.07 5.23 0.00 0.00 -0.80 121.76 127.64 1pm4 s ALA 114 Ca 0.30 0.26 -0.35 0.00 0.00 0.00 0.00 51.96 52.17 1pm4 s ALA 114 Cb -0.16 -0.06 -0.14 0.00 0.00 0.00 0.00 23.12 22.76 1pm4 s ALA 114 CO 0.11 -0.20 1.60 2.41 0.00 0.00 0.00 175.76 179.68 1pm4 n THR 115 N 1.85 0.14 -4.39 0.00 -1.04 -0.21 -0.80 114.28 109.83 1pm4 n THR 115 Ca -0.19 -0.03 -0.23 0.00 -2.04 0.00 0.00 64.05 61.56 1pm4 n THR 115 Cb 0.56 -1.44 -0.11 0.00 -1.82 0.00 0.00 70.33 67.52 1pm4 n THR 115 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1pm4 s VAL 116 N 1.65 2.08 -0.21 12.58 -7.23 0.12 -4.85 120.40 124.55 1pm4 s VAL 116 Ca 0.84 -2.09 0.07 0.00 -1.81 0.00 0.00 61.98 58.99 1pm4 s VAL 116 Cb -0.76 -2.04 -0.21 0.00 0.56 0.00 0.00 36.38 33.93 1pm4 s VAL 116 CO 0.44 -0.32 0.01 1.41 -0.31 0.00 0.00 175.10 176.33 1pm4 n HIS 117 N -0.00 0.23 0.00 2.82 8.25 -1.26 -4.55 115.22 120.70 1pm4 n HIS 117 Ca -0.11 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1pm4 n HIS 117 Cb 0.58 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.65 1pm4 n HIS 117 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1pm4 n ASP 118 N -3.10 0.00 -4.64 0.41 8.00 -1.26 -5.09 116.55 110.88 1pm4 n ASP 118 Ca -0.38 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 54.89 1pm4 n ASP 118 Cb 1.06 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.08 1pm4 n ASP 118 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1pm4 s ASP 119 N -1.00 4.52 0.34 -2.24 1.11 -1.26 -5.07 116.67 113.07 1pm4 s ASP 119 Ca 0.00 -0.64 -0.29 0.00 0.18 0.00 0.00 52.55 51.80 1pm4 s ASP 119 Cb 0.00 -0.83 -0.12 0.00 1.07 0.00 0.00 42.92 43.04 1pm4 s ASP 119 CO 0.00 0.01 1.44 1.17 1.18 0.00 0.00 175.17 178.97 1pm4 n LYS 120 N -0.81 2.46 -4.29 8.23 4.81 -1.26 -5.00 118.16 122.30 1pm4 n LYS 120 Ca -0.07 0.87 -0.20 0.00 -0.87 0.00 0.00 58.31 58.04 1pm4 n LYS 120 Cb 0.59 -2.55 -0.13 0.00 0.02 0.00 0.00 35.03 32.96 1pm4 n LYS 120 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1pm4 s GLU 121 N -1.66 0.92 0.32 1.64 2.02 -1.26 -5.04 118.70 115.64 1pm4 s GLU 121 Ca 0.57 -0.88 0.07 0.00 0.02 0.00 0.00 54.97 54.75 1pm4 s GLU 121 Cb -0.52 -0.96 0.76 0.00 0.10 0.00 0.00 34.13 33.51 1pm4 s GLU 121 CO 0.60 0.23 1.79 -0.44 0.02 0.00 0.00 175.26 177.46 1pm4 h ASP 122 N 4.61 0.76 0.28 -0.19 5.19 -1.98 -1.48 116.42 123.60 1pm4 h ASP 122 Ca -0.40 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 1pm4 h ASP 122 Cb 1.18 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1pm4 h ASP 122 CO 0.42 0.29 0.00 -1.54 -3.12 0.00 0.00 179.24 175.29 1pm4 n SER 123 N -4.71 0.00 0.18 6.45 3.41 -1.26 -2.10 113.62 115.58 1pm4 n SER 123 Ca 0.22 0.07 0.03 0.00 -0.26 0.00 0.00 58.87 58.93 1pm4 n SER 123 Cb 0.57 -0.28 0.34 0.00 -0.26 0.00 0.00 64.21 64.58 1pm4 n SER 123 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pm4 h ASP 124 N 0.00 0.00 -3.18 4.04 3.32 -1.57 -3.39 116.42 115.64 1pm4 h ASP 124 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1pm4 h ASP 124 Cb 0.14 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 1pm4 h ASP 124 CO 0.00 0.40 1.02 -0.69 -1.72 0.00 0.00 179.24 178.25 1pm4 s VAL 125 N -4.06 3.96 0.48 -1.35 1.01 -0.89 -0.42 120.40 119.14 1pm4 s VAL 125 Ca -0.02 0.89 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 1pm4 s VAL 125 Cb 0.14 -4.57 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 1pm4 s VAL 125 CO 0.72 -1.18 1.12 -0.76 0.00 0.00 0.00 175.10 175.01 1pm4 s LEU 126 N 5.25 3.92 0.46 3.92 1.43 0.47 -4.94 118.68 129.19 1pm4 s LEU 126 Ca 0.49 2.18 0.26 0.00 -1.03 0.00 0.00 54.13 56.02 1pm4 s LEU 126 Cb -0.09 -4.38 0.77 0.00 0.03 0.00 0.00 46.19 42.51 1pm4 s LEU 126 CO 0.27 -0.94 1.76 0.71 0.23 0.00 0.00 176.35 178.38 1pm4 h THR 127 N 1.66 0.23 -3.03 5.49 1.35 -1.93 -3.42 112.91 113.26 1pm4 h THR 127 Ca -0.49 -1.02 -0.14 0.00 -0.55 0.00 0.00 66.41 64.21 1pm4 h THR 127 Cb 1.24 1.84 -0.23 0.00 -1.73 0.00 0.00 68.15 69.28 1pm4 h THR 127 CO 0.59 0.11 -0.33 -1.59 -0.25 0.00 0.00 175.52 174.05 1pm4 s LYS 128 N -3.43 0.49 0.49 4.72 -2.85 -1.26 -5.04 119.74 112.87 1pm4 s LYS 128 Ca 0.03 0.15 -0.09 0.00 -1.00 0.00 0.00 55.97 55.06 1pm4 s LYS 128 Cb 0.08 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 1pm4 s LYS 128 CO 0.63 -0.10 0.86 0.00 0.10 0.00 0.00 175.35 176.84 1pm4 n PRO 130 N -2.00 0.94 0.00 0.00 -0.02 -1.26 -5.12 135.00 127.54 1pm4 n PRO 130 Ca 0.03 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1pm4 n PRO 130 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1pm4 n PRO 130 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81