#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpr n PRO 4002N 0.00 -0.40 -2.70 0.00 -0.04 -1.26 -4.94 135.00 125.65 3gpr n PRO 4002Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 3gpr n PRO 4002Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 3gpr n PRO 4002CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gpr s LEU 4003N 0.00 3.89 0.00 1.53 1.43 -1.26 -3.60 118.68 120.67 3gpr s LEU 4003Ca 0.00 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 3gpr s LEU 4003Cb 0.00 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.67 3gpr s LEU 4003CO 0.00 -0.53 0.00 1.41 0.23 0.00 0.00 176.35 177.46 3gpr n HIS 4004N -0.80 0.00 -3.23 0.29 8.25 -1.26 -4.95 115.22 113.53 3gpr n HIS 4004Ca 0.08 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.21 3gpr n HIS 4004Cb 0.53 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 3gpr n HIS 4004CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3gpr s TRP 4005N -0.57 3.43 0.53 4.41 0.52 -1.24 -4.89 118.94 121.13 3gpr s TRP 4005Ca 0.00 1.13 -0.00 0.00 0.02 0.00 0.00 56.10 57.24 3gpr s TRP 4005Cb 0.00 -2.45 0.11 0.00 -1.15 0.00 0.00 33.47 29.97 3gpr s TRP 4005CO 0.00 0.19 0.73 0.43 0.02 0.00 0.00 176.95 178.31 3gpr n SER 4006N -0.13 0.98 -3.70 2.95 7.64 0.10 -4.78 113.62 116.68 3gpr n SER 4006Ca 0.02 -1.82 -0.13 0.00 1.01 0.00 0.00 58.87 57.94 3gpr n SER 4006Cb 0.53 -0.47 -0.09 0.00 -1.01 0.00 0.00 64.21 63.16 3gpr n SER 4006CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3gpr s SER 4007N -3.96 -0.54 -0.07 6.43 1.04 -1.26 -3.22 113.70 112.11 3gpr s SER 4007Ca 0.48 1.03 -0.10 0.00 0.48 0.00 0.00 55.95 57.84 3gpr s SER 4007Cb -0.03 1.04 -0.03 0.00 0.10 0.00 0.00 66.02 67.10 3gpr s SER 4007CO 0.32 -0.18 -0.20 0.00 0.98 0.00 0.00 173.24 174.16 3gpr n TYR 4008N 2.85 0.00 0.00 5.02 9.36 -0.99 -4.99 117.16 128.41 3gpr n TYR 4008Ca -0.14 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.08 3gpr n TYR 4008Cb 0.56 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.99 3gpr n TYR 4008CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3gpr n ASN 4009N -3.94 0.00 0.00 2.98 5.15 -1.26 -4.97 115.26 113.23 3gpr n ASN 4009Ca -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 3gpr n ASN 4009Cb 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 3gpr n ASN 4009CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gpr n GLY 4010N -0.93 0.85 3.30 8.20 0.00 -1.26 -5.04 105.19 110.31 3gpr n GLY 4010Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3gpr n GLY 4010CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gpr s TYR 4011N 0.00 1.73 0.00 1.61 1.51 -1.26 0.08 117.35 121.01 3gpr s TYR 4011Ca 0.00 -0.48 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 3gpr s TYR 4011Cb 0.00 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 3gpr s TYR 4011CO 0.00 0.27 -0.10 0.00 -1.11 0.00 0.00 175.55 174.61 3gpr s TYR 4013N -0.94 1.54 0.13 0.00 1.51 -1.20 -3.76 117.35 114.62 3gpr s TYR 4013Ca 0.16 -0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 55.67 3gpr s TYR 4013Cb -0.11 -0.89 0.03 0.00 -0.11 0.00 0.00 41.96 40.88 3gpr s TYR 4013CO 0.06 0.09 0.40 0.50 -1.11 0.00 0.00 175.55 175.49 3gpr s ARG 4014N -1.37 1.09 -0.04 -0.62 3.52 -1.24 0.00 118.95 120.29 3gpr s ARG 4014Ca 0.04 -0.74 0.05 0.00 -0.13 0.00 0.00 55.73 54.96 3gpr s ARG 4014Cb -0.09 0.47 -0.01 0.00 -1.56 0.00 0.00 34.95 33.76 3gpr s ARG 4014CO 0.02 -0.43 -0.20 0.08 -0.81 0.00 0.00 175.30 173.96 3gpr s VAL 4015N -3.81 1.64 -0.12 7.11 1.01 -1.26 -3.79 120.40 121.18 3gpr s VAL 4015Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3gpr s VAL 4015Cb 0.02 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 3gpr s VAL 4015CO -0.11 0.47 -0.12 -0.36 0.00 0.00 0.00 175.10 174.98 3gpr s PHE 4016N -0.18 2.83 -0.01 5.22 0.08 -1.22 -5.02 117.98 119.68 3gpr s PHE 4016Ca 0.00 -0.50 -0.19 0.00 0.12 0.00 0.00 56.93 56.36 3gpr s PHE 4016Cb -0.11 -1.82 -0.29 0.00 -0.57 0.00 0.00 43.02 40.23 3gpr s PHE 4016CO 0.02 -0.10 1.00 0.66 -0.10 0.00 0.00 175.22 176.70 3gpr h SER 4017N 6.43 0.61 -1.61 1.36 4.64 -1.95 -3.37 113.55 119.65 3gpr h SER 4017Ca -0.30 -0.87 -0.66 0.00 -0.47 0.00 0.00 61.79 59.48 3gpr h SER 4017Cb 1.20 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 3gpr h SER 4017CO 0.55 1.42 1.17 -1.84 -0.87 0.00 0.00 176.83 177.26 3gpr n GLU 4018N -4.05 1.57 -2.65 4.77 0.28 -1.26 -4.71 120.64 114.59 3gpr n GLU 4018Ca -0.13 0.53 -0.42 0.00 -0.16 0.00 0.00 57.16 56.99 3gpr n GLU 4018Cb 0.84 -2.48 -0.04 0.00 1.43 0.00 0.00 31.44 31.20 3gpr n GLU 4018CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 3gpr s LEU 4019N 5.14 4.42 0.15 -1.84 2.34 -1.26 -4.55 118.68 123.09 3gpr s LEU 4019Ca 1.00 1.80 -0.05 0.00 0.06 0.00 0.00 54.13 56.94 3gpr s LEU 4019Cb -0.83 -3.58 -0.02 0.00 -0.56 0.00 0.00 46.19 41.20 3gpr s LEU 4019CO 0.54 -0.22 0.18 -0.54 -1.06 0.00 0.00 176.35 175.24 3gpr s LYS 4020N 0.54 1.07 1.27 1.48 1.02 -1.04 -4.75 119.74 119.33 3gpr s LYS 4020Ca 0.51 -1.32 -0.17 0.00 0.02 0.00 0.00 55.97 55.01 3gpr s LYS 4020Cb -0.24 0.31 0.32 0.00 -0.52 0.00 0.00 37.83 37.71 3gpr s LYS 4020CO 0.30 -0.36 0.99 0.95 -0.92 0.00 0.00 175.35 176.31 3gpr s THR 4021N -4.02 1.70 0.12 2.17 -4.23 -1.25 -0.63 115.64 109.50 3gpr s THR 4021Ca 0.22 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.84 3gpr s THR 4021Cb 0.05 -2.07 -0.06 0.00 1.34 0.00 0.00 72.50 71.77 3gpr s THR 4021CO 0.02 0.00 1.47 -0.25 -0.54 0.00 0.00 174.62 175.32 3gpr h TRP 4022N -2.96 0.00 0.39 3.99 7.01 -1.64 -3.08 115.95 119.66 3gpr h TRP 4022Ca -0.56 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.42 3gpr h TRP 4022Cb 1.34 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.40 3gpr h TRP 4022CO -1.07 0.71 -0.19 1.49 -2.79 0.00 0.00 178.44 176.59 3gpr h GLU 4023N 0.00 -0.51 0.00 2.65 4.57 -1.91 -2.97 114.58 116.41 3gpr h GLU 4023Ca -0.01 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3gpr h GLU 4023Cb 1.38 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 3gpr h GLU 4023CO 0.09 -0.34 0.00 -0.40 -1.18 0.00 0.00 179.01 177.18 3gpr n ASP 4024N -3.98 0.33 0.07 1.04 3.85 -1.26 -0.72 116.55 115.89 3gpr n ASP 4024Ca -0.07 0.65 -0.11 0.00 -0.71 0.00 0.00 54.79 54.56 3gpr n ASP 4024Cb 0.21 -0.70 -0.01 0.00 -1.35 0.00 0.00 41.12 39.27 3gpr n ASP 4024CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gpr h ALA 4025N 2.00 0.48 0.13 2.12 0.00 -1.43 0.09 119.26 122.65 3gpr h ALA 4025Ca 0.00 -0.69 -0.28 0.00 0.00 0.00 0.00 54.91 53.94 3gpr h ALA 4025Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gpr h ALA 4025CO 0.00 0.83 -1.29 1.49 0.00 0.00 0.00 179.25 180.28 3gpr h GLU 4026N 0.20 0.27 0.00 0.00 4.57 -0.77 -3.15 114.58 115.70 3gpr h GLU 4026Ca -0.06 -0.47 -0.17 0.00 -1.18 0.00 0.00 59.36 57.48 3gpr h GLU 4026Cb 1.48 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 30.22 3gpr h GLU 4026CO 0.14 1.21 -0.81 0.66 -1.18 0.00 0.00 179.01 179.03 3gpr h SER 4027N 0.07 0.06 0.63 1.04 4.64 -1.46 -2.90 113.55 115.64 3gpr h SER 4027Ca -0.15 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 3gpr h SER 4027Cb 1.98 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 64.06 3gpr h SER 4027CO 0.20 0.85 -0.30 0.15 -0.87 0.00 0.00 176.83 176.85 3gpr h PHE 4028N 0.03 -0.79 -0.74 4.77 -0.00 -1.04 -3.18 116.94 115.98 3gpr h PHE 4028Ca -0.02 -0.02 0.15 0.00 -0.00 0.00 0.00 57.97 58.09 3gpr h PHE 4028Cb 1.43 0.26 -0.10 0.00 -0.00 0.00 0.00 35.95 37.54 3gpr h PHE 4028CO 0.01 -0.49 0.24 0.00 -0.00 0.00 0.00 178.31 178.07 3gpr h TYR 4030N 0.35 0.00 0.00 0.00 0.99 -1.45 -2.01 116.97 114.84 3gpr h TYR 4030Ca 0.42 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.09 3gpr h TYR 4030Cb 0.68 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.40 3gpr h TYR 4030CO -0.21 0.00 -0.56 0.00 -0.00 0.00 0.00 178.16 177.39 3gpr h ALA 4031N 0.69 0.07 -0.45 3.88 0.00 -0.76 -3.43 119.26 119.24 3gpr h ALA 4031Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3gpr h ALA 4031Cb 1.31 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3gpr h ALA 4031CO 0.00 0.42 0.00 1.04 0.00 0.00 0.00 179.25 180.71 3gpr n GLN 4032N -4.60 0.00 -1.29 0.00 3.00 -0.76 -4.76 117.38 108.97 3gpr n GLN 4032Ca -0.12 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3gpr n GLN 4032Cb 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 30.24 30.38 3gpr n GLN 4032CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 3gpr n HIS 4033N -0.88 0.00 -2.68 1.08 -0.00 -1.26 -5.08 115.22 106.40 3gpr n HIS 4033Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 3gpr n HIS 4033Cb 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.82 3gpr n HIS 4033CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 3gpr s LYS 4034N -0.93 4.78 -0.73 1.57 2.20 -1.26 -3.34 119.74 122.03 3gpr s LYS 4034Ca 0.00 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 3gpr s LYS 4034Cb 0.00 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 3gpr s LYS 4034CO 0.00 0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.80 3gpr n GLY 4035N 1.57 0.66 3.65 5.54 0.00 -1.26 -4.35 105.19 110.99 3gpr n GLY 4035Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3gpr n GLY 4035CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gpr s SER 4036N -2.08 6.50 0.25 1.61 1.04 -1.21 -4.50 113.70 115.30 3gpr s SER 4036Ca 0.00 2.14 0.02 0.00 0.48 0.00 0.00 55.95 58.59 3gpr s SER 4036Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 3gpr s SER 4036CO 0.00 -1.08 0.16 -0.13 0.98 0.00 0.00 173.24 173.17 3gpr s ARG 4037N 4.38 1.41 0.41 4.02 0.52 0.24 -3.13 118.95 126.79 3gpr s ARG 4037Ca 0.77 -1.77 -0.25 0.00 -0.52 0.00 0.00 55.73 53.96 3gpr s ARG 4037Cb -0.33 0.13 -0.11 0.00 0.52 0.00 0.00 34.95 35.16 3gpr s ARG 4037CO 0.31 -0.43 1.08 1.28 0.02 0.00 0.00 175.30 177.56 3gpr n LEU 4038N -0.42 2.94 -4.62 2.53 4.77 -1.26 0.86 117.00 121.80 3gpr n LEU 4038Ca 0.02 1.06 -0.43 0.00 -0.03 0.00 0.00 56.01 56.64 3gpr n LEU 4038Cb 0.65 -1.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.35 3gpr n LEU 4038CO 0.34 -1.25 0.64 0.00 -1.33 0.00 0.00 177.39 175.79 3gpr n ALA 4039N -0.36 0.21 -2.63 -1.18 0.00 -1.24 -4.53 120.51 110.79 3gpr n ALA 4039Ca 0.09 0.34 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 3gpr n ALA 4039Cb 0.39 -2.09 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 3gpr n ALA 4039CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gpr s SER 4040N -0.55 1.95 -0.32 0.00 1.04 -1.26 -3.33 113.70 111.23 3gpr s SER 4040Ca 0.59 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 56.44 3gpr s SER 4040Cb -0.63 -0.10 0.10 0.00 0.10 0.00 0.00 66.02 65.49 3gpr s SER 4040CO 0.60 0.01 0.11 -0.63 0.98 0.00 0.00 173.24 174.30 3gpr s ILE 4041N -1.08 0.86 -0.29 -1.02 1.01 -1.26 -4.98 121.20 114.44 3gpr s ILE 4041Ca 0.02 -1.44 0.08 0.00 0.00 0.00 0.00 60.65 59.30 3gpr s ILE 4041Cb -0.09 -1.65 0.45 0.00 0.01 0.00 0.00 42.46 41.18 3gpr s ILE 4041CO 0.02 -0.70 1.26 0.00 0.00 0.00 0.00 174.94 175.52 3gpr n HIS 4042N 4.78 1.87 -3.64 3.97 1.44 -1.26 -4.98 115.22 117.40 3gpr n HIS 4042Ca -0.01 -2.01 -0.04 0.00 -2.01 0.00 0.00 57.72 53.64 3gpr n HIS 4042Cb 0.41 -0.38 -0.07 0.00 0.12 0.00 0.00 29.99 30.08 3gpr n HIS 4042CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3gpr s SER 4043N -3.34 -0.15 0.11 4.39 0.15 -1.26 -5.01 113.70 108.59 3gpr s SER 4043Ca 0.48 0.27 -0.23 0.00 0.70 0.00 0.00 55.95 57.16 3gpr s SER 4043Cb 0.40 0.27 -0.09 0.00 -1.71 0.00 0.00 66.02 64.89 3gpr s SER 4043CO 0.00 -0.06 1.70 0.03 1.20 0.00 0.00 173.24 176.11 3gpr h ARG 4044N 3.22 -0.16 0.00 5.44 3.08 -1.99 0.17 114.38 124.14 3gpr h ARG 4044Ca -0.25 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3gpr h ARG 4044Cb 1.19 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3gpr h ARG 4044CO 0.17 -0.11 0.13 1.49 -1.07 0.00 0.00 179.97 180.59 3gpr h GLU 4045N -0.17 0.00 0.00 0.04 4.81 -1.99 0.20 114.58 117.47 3gpr h GLU 4045Ca 0.03 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.95 3gpr h GLU 4045Cb 0.21 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 3gpr h GLU 4045CO -0.09 0.00 -1.89 -1.91 -0.73 0.00 0.00 179.01 174.39 3gpr n GLU 4046N -2.67 0.65 -0.03 1.92 2.13 0.06 -3.79 120.64 118.91 3gpr n GLU 4046Ca -0.02 0.22 -0.14 0.00 0.66 0.00 0.00 57.16 57.87 3gpr n GLU 4046Cb 0.18 -1.72 -0.11 0.00 0.27 0.00 0.00 31.44 30.06 3gpr n GLU 4046CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3gpr h GLU 4047N 0.00 0.15 0.00 5.31 4.81 0.20 -3.11 114.58 121.94 3gpr h GLU 4047Ca -0.36 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3gpr h GLU 4047Cb 2.08 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.49 3gpr h GLU 4047CO 0.07 0.84 -0.01 0.00 -0.73 0.00 0.00 179.01 179.17 3gpr h ALA 4048N 0.32 1.14 -0.19 2.92 0.00 -1.31 -1.09 119.26 121.05 3gpr h ALA 4048Ca -0.02 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 3gpr h ALA 4048Cb 0.88 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.68 3gpr h ALA 4048CO 0.04 0.01 -0.66 0.35 0.00 0.00 0.00 179.25 178.99 3gpr h PHE 4049N 0.00 1.04 0.00 0.00 3.57 -1.64 -3.14 116.94 116.76 3gpr h PHE 4049Ca -0.00 -0.43 -0.07 0.00 3.53 0.00 0.00 57.97 61.00 3gpr h PHE 4049Cb 0.08 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3gpr h PHE 4049CO 0.00 1.25 -0.34 0.28 -2.23 0.00 0.00 178.31 177.28 3gpr h VAL 4050N 0.53 0.61 0.00 1.41 2.07 -1.23 -3.15 116.25 116.48 3gpr h VAL 4050Ca -0.03 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3gpr h VAL 4050Cb 1.29 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 3gpr h VAL 4050CO 0.14 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.67 3gpr n GLY 4051N 1.02 -0.79 0.04 2.17 0.00 -0.51 -1.80 105.19 105.31 3gpr n GLY 4051Ca 0.02 0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.08 3gpr n GLY 4051CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gpr n LYS 4052N -1.73 0.98 -0.02 1.61 5.02 -1.19 -4.21 118.16 118.62 3gpr n LYS 4052Ca 0.01 -0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.06 3gpr n LYS 4052Cb 0.08 -1.39 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 3gpr n LYS 4052CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3gpr h LEU 4053N 0.00 0.40 0.00 -0.35 3.38 -1.42 -2.98 115.31 114.35 3gpr h LEU 4053Ca -0.20 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.08 3gpr h LEU 4053Cb 1.33 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3gpr h LEU 4053CO 0.01 1.04 0.00 0.00 0.09 0.00 0.00 178.44 179.58 3gpr n ALA 4054N -2.53 2.53 -0.06 1.53 0.00 -0.94 -2.19 120.51 118.85 3gpr n ALA 4054Ca -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.23 3gpr n ALA 4054Cb 0.54 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 3gpr n ALA 4054CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gpr n SER 4055N -0.73 0.83 -0.04 0.00 2.88 -1.17 -3.89 113.62 111.49 3gpr n SER 4055Ca 0.11 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.62 3gpr n SER 4055Cb 0.05 1.19 -0.14 0.00 -0.75 0.00 0.00 64.21 64.56 3gpr n SER 4055CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3gpr n GLN 4056N -2.48 0.66 0.10 -1.46 7.27 -1.13 -4.33 117.38 116.01 3gpr n GLN 4056Ca -0.20 0.03 -0.15 0.00 0.07 0.00 0.00 57.00 56.75 3gpr n GLN 4056Cb 0.88 -1.61 -0.14 0.00 2.41 0.00 0.00 30.24 31.78 3gpr n GLN 4056CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 3gpr h THR 4057N 0.00 1.52 -3.50 1.69 2.02 -1.67 -3.47 112.91 109.50 3gpr h THR 4057Ca -0.32 -3.11 -0.37 0.00 0.77 0.00 0.00 66.41 63.38 3gpr h THR 4057Cb 1.80 2.93 -0.14 0.00 -1.74 0.00 0.00 68.15 71.00 3gpr h THR 4057CO 0.03 0.90 -0.63 -0.76 0.37 0.00 0.00 175.52 175.43 3gpr s LEU 4058N -7.09 1.95 -0.17 2.58 1.43 -1.25 -5.02 118.68 111.11 3gpr s LEU 4058Ca -0.03 -1.30 -0.07 0.00 -1.03 0.00 0.00 54.13 51.69 3gpr s LEU 4058Cb 0.07 -0.14 -0.23 0.00 0.03 0.00 0.00 46.19 45.93 3gpr s LEU 4058CO 0.87 -0.62 0.19 1.17 0.23 0.00 0.00 176.35 178.19 3gpr n LYS 4059N -0.45 0.70 -0.36 1.70 4.81 -1.26 -4.44 118.16 118.86 3gpr n LYS 4059Ca -0.03 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 3gpr n LYS 4059Cb 0.65 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 34.03 3gpr n LYS 4059CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3gpr n TYR 4060N -3.61 -0.57 -3.56 5.64 4.02 -1.26 -5.04 117.16 112.78 3gpr n TYR 4060Ca -0.36 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.33 3gpr n TYR 4060Cb 0.98 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 40.15 3gpr n TYR 4060CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3gpr s THR 4061N 1.33 -0.24 -0.37 -0.72 -4.23 -1.26 -4.91 115.64 105.24 3gpr s THR 4061Ca 0.00 -0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.54 3gpr s THR 4061Cb 0.00 -0.57 0.18 0.00 1.34 0.00 0.00 72.50 73.45 3gpr s THR 4061CO 0.00 -0.16 0.60 -0.44 -0.54 0.00 0.00 174.62 174.07 3gpr s SER 4062N 2.26 -1.35 0.05 3.99 0.01 -1.26 -4.52 113.70 112.89 3gpr s SER 4062Ca 0.05 -0.53 -0.23 0.00 1.31 0.00 0.00 55.95 56.55 3gpr s SER 4062Cb -0.15 1.88 0.05 0.00 0.21 0.00 0.00 66.02 68.01 3gpr s SER 4062CO -0.10 -0.22 0.53 0.00 0.41 0.00 0.00 173.24 173.86 3gpr s MET 4063N 2.13 1.04 0.28 12.44 0.23 -1.26 -3.10 119.30 131.06 3gpr s MET 4063Ca 0.14 -0.23 -0.05 0.00 -1.03 0.00 0.00 55.69 54.53 3gpr s MET 4063Cb -0.07 0.48 0.07 0.00 -1.53 0.00 0.00 34.83 33.78 3gpr s MET 4063CO -0.13 -0.38 0.18 0.91 -2.03 0.00 0.00 175.02 173.57 3gpr n TRP 4064N 0.40 -2.60 -3.63 3.16 5.03 0.38 -3.29 117.44 116.88 3gpr n TRP 4064Ca -0.18 -0.17 -0.11 0.00 3.03 0.00 0.00 57.50 60.07 3gpr n TRP 4064Cb 0.60 -0.24 -0.07 0.00 -1.03 0.00 0.00 31.31 30.57 3gpr n TRP 4064CO 0.00 0.00 0.00 -1.17 -0.03 0.00 0.00 177.69 176.49 3gpr s LEU 4065N 0.00 -0.66 0.00 -0.99 1.98 -1.25 -4.68 118.68 113.08 3gpr s LEU 4065Ca 0.13 1.23 0.00 0.00 -2.89 0.00 0.00 54.13 52.60 3gpr s LEU 4065Cb -0.02 2.22 0.00 0.00 0.66 0.00 0.00 46.19 49.05 3gpr s LEU 4065CO 0.11 -0.21 0.70 0.61 -1.89 0.00 0.00 176.35 175.67 3gpr n GLY 4066N 2.83 -0.22 3.74 7.98 0.00 -1.21 -4.69 105.19 113.61 3gpr n GLY 4066Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3gpr n GLY 4066CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gpr s LEU 4067N -2.41 4.45 -0.69 0.99 2.96 -1.26 -5.00 118.68 117.73 3gpr s LEU 4067Ca 0.00 2.25 -0.02 0.00 -0.22 0.00 0.00 54.13 56.14 3gpr s LEU 4067Cb 0.00 -3.61 0.17 0.00 0.50 0.00 0.00 46.19 43.26 3gpr s LEU 4067CO 0.00 -0.38 0.51 0.20 -1.32 0.00 0.00 176.35 175.36 3gpr s ASN 4068N 0.14 5.30 0.00 3.68 0.01 -1.26 -4.15 114.94 118.65 3gpr s ASN 4068Ca 0.53 -3.14 0.00 0.00 -0.71 0.00 0.00 52.86 49.54 3gpr s ASN 4068Cb -0.33 -1.84 0.00 0.00 0.41 0.00 0.00 41.25 39.50 3gpr s ASN 4068CO 0.37 -0.29 0.00 0.59 -1.51 0.00 0.00 177.10 176.25 3gpr n ASN 4069N 3.08 0.00 -1.30 -1.22 5.03 -1.25 -5.03 115.26 114.56 3gpr n ASN 4069Ca 0.12 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.59 3gpr n ASN 4069Cb 0.37 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.12 3gpr n ASN 4069CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gpr n ALA 4070N -3.00 -1.97 -1.00 5.41 0.00 0.19 -4.86 120.51 115.28 3gpr n ALA 4070Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3gpr n ALA 4070Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3gpr n ALA 4070CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3gpr n TRP 4071N -2.69 0.00 -1.66 0.00 -0.00 -1.26 -4.79 117.44 107.04 3gpr n TRP 4071Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 3gpr n TRP 4071Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.75 3gpr n TRP 4071CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3gpr n ALA 4072N -3.00 0.00 -3.18 5.87 0.00 -1.26 -4.85 120.51 114.10 3gpr n ALA 4072Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3gpr n ALA 4072Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3gpr n ALA 4072CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gpr s ALA 4073N -1.33 -3.54 0.43 0.00 0.00 -1.26 -4.97 121.76 111.10 3gpr s ALA 4073Ca 0.00 1.55 0.20 0.00 0.00 0.00 0.00 51.96 53.72 3gpr s ALA 4073Cb 0.00 -2.44 1.16 0.00 0.00 0.00 0.00 23.12 21.83 3gpr s ALA 4073CO 0.00 -1.24 1.83 0.00 0.00 0.00 0.00 175.76 176.35 3gpr n LYS 4075N -4.50 0.00 -0.58 0.00 2.85 -1.26 -4.55 118.16 110.11 3gpr n LYS 4075Ca 0.22 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.17 3gpr n LYS 4075Cb 0.81 0.00 0.21 0.00 -0.65 0.00 0.00 35.03 35.41 3gpr n LYS 4075CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 3gpr n TRP 4076N -0.14 -1.12 -0.21 5.58 7.02 0.15 -4.81 117.44 123.91 3gpr n TRP 4076Ca 0.00 0.02 0.23 0.00 -1.02 0.00 0.00 57.50 56.73 3gpr n TRP 4076Cb 0.00 -1.69 0.60 0.00 -2.42 0.00 0.00 31.31 27.79 3gpr n TRP 4076CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3gpr h GLU 4077N -2.33 0.23 0.00 -0.99 4.57 -2.00 -3.21 114.58 110.85 3gpr h GLU 4077Ca -0.56 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 3gpr h GLU 4077Cb 1.33 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3gpr h GLU 4077CO 0.44 0.15 0.00 1.87 -1.18 0.00 0.00 179.01 180.29 3gpr n TRP 4078N -4.42 0.00 0.18 0.92 -0.00 -1.26 -5.04 117.44 107.81 3gpr n TRP 4078Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 3gpr n TRP 4078Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.11 3gpr n TRP 4078CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 3gpr n SER 4079N -0.23 -3.02 -4.77 5.87 7.64 -1.21 -5.13 113.62 112.76 3gpr n SER 4079Ca 0.00 0.68 -0.40 0.00 1.01 0.00 0.00 58.87 60.15 3gpr n SER 4079Cb 0.00 2.92 0.00 0.00 -1.01 0.00 0.00 64.21 66.13 3gpr n SER 4079CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gpr s ASP 4080N -2.27 6.18 1.04 6.43 -1.08 -1.26 -4.15 116.67 121.56 3gpr s ASP 4080Ca 0.00 2.93 -0.05 0.00 -0.52 0.00 0.00 52.55 54.91 3gpr s ASP 4080Cb 0.00 -2.66 0.07 0.00 -1.46 0.00 0.00 42.92 38.87 3gpr s ASP 4080CO 0.00 -0.97 0.28 -0.90 0.52 0.00 0.00 175.17 174.10 3gpr n ASP 4081N 0.18 -0.90 -4.45 -0.34 3.85 -1.26 -0.67 116.55 112.95 3gpr n ASP 4081Ca 0.03 -0.79 -0.44 0.00 -0.71 0.00 0.00 54.79 52.88 3gpr n ASP 4081Cb 0.41 -0.24 -0.01 0.00 -1.35 0.00 0.00 41.12 39.92 3gpr n ASP 4081CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gpr s ALA 4082N -3.28 3.66 -0.06 2.12 0.00 -1.24 -4.56 121.76 118.41 3gpr s ALA 4082Ca 0.17 -3.04 -0.02 0.00 0.00 0.00 0.00 51.96 49.08 3gpr s ALA 4082Cb -0.01 -4.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.04 3gpr s ALA 4082CO 0.13 -2.86 0.10 0.87 0.00 0.00 0.00 175.76 174.00 3gpr h LYS 4083N 8.10 -0.06 -6.04 0.00 1.79 -1.94 -3.46 116.57 114.96 3gpr h LYS 4083Ca 0.22 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 58.01 3gpr h LYS 4083Cb 0.96 0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 31.47 3gpr h LYS 4083CO 1.15 -0.04 -0.65 -1.17 -1.08 0.00 0.00 179.45 177.66 3gpr s LEU 4084N -7.00 3.44 0.00 2.94 0.20 -1.26 -5.12 118.68 111.89 3gpr s LEU 4084Ca -0.01 0.08 0.05 0.00 0.69 0.00 0.00 54.13 54.94 3gpr s LEU 4084Cb 0.00 -1.79 -0.02 0.00 -0.43 0.00 0.00 46.19 43.96 3gpr s LEU 4084CO 0.03 0.37 0.18 -0.90 -0.29 0.00 0.00 176.35 175.74 3gpr n ASP 4085N 2.13 0.87 -2.21 3.68 3.85 -1.26 -5.09 116.55 118.53 3gpr n ASP 4085Ca -0.18 -3.26 -0.03 0.00 -0.71 0.00 0.00 54.79 50.61 3gpr n ASP 4085Cb 0.53 1.20 0.08 0.00 -1.35 0.00 0.00 41.12 41.58 3gpr n ASP 4085CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3gpr n TYR 4086N -0.90 -1.45 -1.41 2.11 0.53 -1.26 -5.15 117.16 109.64 3gpr n TYR 4086Ca -0.03 -1.27 -0.30 0.00 -1.02 0.00 0.00 57.90 55.27 3gpr n TYR 4086Cb 0.63 1.24 0.22 0.00 -1.03 0.00 0.00 39.34 40.41 3gpr n TYR 4086CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 3gpr s LYS 4087N 0.09 -0.55 0.19 -0.72 1.02 -1.26 -4.96 119.74 113.55 3gpr s LYS 4087Ca 0.06 -0.21 0.26 0.00 0.02 0.00 0.00 55.97 56.09 3gpr s LYS 4087Cb 0.31 -1.69 0.69 0.00 -0.52 0.00 0.00 37.83 36.62 3gpr s LYS 4087CO -0.09 -3.24 1.66 0.28 -0.92 0.00 0.00 175.35 173.04 3gpr n VAL 4088N -4.40 0.55 -1.36 3.17 0.31 -1.26 -5.03 118.33 110.31 3gpr n VAL 4088Ca 0.14 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3gpr n VAL 4088Cb 0.59 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 3gpr n VAL 4088CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3gpr n TRP 4089N -2.24 -3.00 -2.69 3.52 8.01 -1.26 -5.06 117.44 114.73 3gpr n TRP 4089Ca 0.05 1.74 -0.06 0.00 -1.31 0.00 0.00 57.50 57.92 3gpr n TRP 4089Cb 0.43 -2.98 0.08 0.00 -2.01 0.00 0.00 31.31 26.83 3gpr n TRP 4089CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.69 176.57 3gpr n LEU 4090N 0.88 -1.70 -2.17 -0.99 0.00 -1.26 -5.11 117.00 106.65 3gpr n LEU 4090Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 56.01 53.13 3gpr n LEU 4090Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 43.42 43.92 3gpr n LEU 4090CO 0.00 1.69 -0.43 -1.14 0.00 0.00 0.00 177.39 177.51 3gpr n ARG 4091N -0.31 -4.81 0.01 1.96 0.00 -1.26 -5.06 116.66 107.20 3gpr n ARG 4091Ca -0.08 3.43 0.00 0.00 -0.00 0.00 0.00 57.85 61.19 3gpr n ARG 4091Cb 0.76 -4.03 0.00 0.00 0.00 0.00 0.00 32.46 29.19 3gpr n ARG 4091CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3gpr n ARG 4092N 1.91 0.00 -1.59 -0.14 1.74 -1.26 -5.07 116.66 112.25 3gpr n ARG 4092Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3gpr n ARG 4092Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3gpr n ARG 4092CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gpr s ALA 4093N -1.49 1.45 0.17 7.54 0.00 -1.26 -4.19 121.76 123.98 3gpr s ALA 4093Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3gpr s ALA 4093Cb 0.00 -4.40 -0.04 0.00 0.00 0.00 0.00 23.12 18.68 3gpr s ALA 4093CO 0.00 -4.76 0.04 0.71 0.00 0.00 0.00 175.76 171.75 3gpr s TYR 4094N 12.63 1.13 -0.12 0.00 1.51 -1.26 -4.78 117.35 126.45 3gpr s TYR 4094Ca 0.95 -1.13 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3gpr s TYR 4094Cb -0.16 -0.64 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 3gpr s TYR 4094CO 0.22 -0.36 -0.07 0.00 -1.11 0.00 0.00 175.55 174.24 3gpr s ALA 4096N -0.04 1.92 0.00 0.00 0.00 -1.26 -0.33 121.76 122.05 3gpr s ALA 4096Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3gpr s ALA 4096Cb -0.13 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3gpr s ALA 4096CO 0.03 -2.17 0.00 1.33 0.00 0.00 0.00 175.76 174.95 3gpr n VAL 4097N -3.68 0.00 -3.52 0.00 0.24 0.19 -3.78 118.33 107.77 3gpr n VAL 4097Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3gpr n VAL 4097Cb 0.52 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.84 3gpr n VAL 4097CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gpr s MET 4098N 3.23 0.28 0.01 7.34 0.23 -1.21 -3.42 119.30 125.77 3gpr s MET 4098Ca 0.00 0.58 -0.06 0.00 -1.03 0.00 0.00 55.69 55.18 3gpr s MET 4098Cb 0.00 0.20 -0.00 0.00 -1.53 0.00 0.00 34.83 33.50 3gpr s MET 4098CO 0.00 -0.07 0.11 0.08 -2.03 0.00 0.00 175.02 173.11 3gpr s VAL 4099N 1.77 0.09 0.62 5.16 1.01 -0.66 -4.01 120.40 124.38 3gpr s VAL 4099Ca -0.06 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 3gpr s VAL 4099Cb -0.04 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 3gpr s VAL 4099CO -0.15 -0.43 1.27 -0.69 0.00 0.00 0.00 175.10 175.10 3gpr s VAL 4100N -1.58 2.22 -0.36 2.92 1.01 -1.26 -3.27 120.40 120.08 3gpr s VAL 4100Ca -0.14 0.14 0.14 0.00 0.00 0.00 0.00 61.98 62.12 3gpr s VAL 4100Cb -0.07 -3.06 0.41 0.00 0.00 0.00 0.00 36.38 33.66 3gpr s VAL 4100CO 0.00 -0.03 0.99 1.17 0.00 0.00 0.00 175.10 177.24 3gpr n LYS 4101N -1.75 1.10 -3.71 2.72 4.81 -1.26 -4.94 118.16 115.12 3gpr n LYS 4101Ca 0.15 -2.91 -0.25 0.00 -0.87 0.00 0.00 58.31 54.43 3gpr n LYS 4101Cb 0.48 -1.10 0.05 0.00 0.02 0.00 0.00 35.03 34.49 3gpr n LYS 4101CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3gpr n THR 4102N -0.05 -3.13 -0.21 3.15 -1.04 -1.26 -4.83 114.28 106.91 3gpr n THR 4102Ca 0.10 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3gpr n THR 4102Cb 0.78 -3.64 0.00 0.00 -1.82 0.00 0.00 70.33 65.65 3gpr n THR 4102CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3gpr n ASP 4103N -2.97 0.06 0.00 8.00 5.68 -1.26 -5.13 116.55 120.93 3gpr n ASP 4103Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 3gpr n ASP 4103Cb 0.57 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 3gpr n ASP 4103CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3gpr n ARG 4104N 0.00 0.00 -3.73 0.11 5.12 -1.26 -4.99 116.66 111.91 3gpr n ARG 4104Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 3gpr n ARG 4104Cb 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.15 3gpr n ARG 4104CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gpr s ILE 4105N 0.00 -0.10 0.08 0.55 1.01 -1.26 -4.42 121.20 117.06 3gpr s ILE 4105Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.95 3gpr s ILE 4105Cb 0.00 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 3gpr s ILE 4105CO 0.00 0.09 -0.20 -0.36 0.00 0.00 0.00 174.94 174.47 3gpr s PHE 4106N 1.43 2.49 -0.11 3.97 0.40 -1.20 -4.99 117.98 119.96 3gpr s PHE 4106Ca -0.07 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 3gpr s PHE 4106Cb -0.12 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 3gpr s PHE 4106CO -0.06 0.30 0.27 -1.58 0.70 0.00 0.00 175.22 174.85 3gpr s TRP 4107N -1.01 3.56 0.42 0.36 0.51 -1.26 -1.66 118.94 119.87 3gpr s TRP 4107Ca 0.15 0.66 0.07 0.00 -2.12 0.00 0.00 56.10 54.86 3gpr s TRP 4107Cb -0.10 -2.22 -0.06 0.00 -0.81 0.00 0.00 33.47 30.28 3gpr s TRP 4107CO 0.07 0.47 0.11 0.71 -0.51 0.00 0.00 176.95 177.80 3gpr s TYR 4108N -0.30 2.49 -0.05 -1.98 1.51 -1.22 -4.82 117.35 112.98 3gpr s TYR 4108Ca 0.17 -0.65 -0.14 0.00 -1.01 0.00 0.00 57.07 55.44 3gpr s TYR 4108Cb -0.14 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 3gpr s TYR 4108CO 0.06 0.27 0.37 -0.80 -1.11 0.00 0.00 175.55 174.34 3gpr s ASN 4109N -3.84 6.70 0.04 2.29 0.02 -1.26 0.53 114.94 119.42 3gpr s ASN 4109Ca 0.36 0.84 -0.17 0.00 -1.02 0.00 0.00 52.86 52.87 3gpr s ASN 4109Cb 0.06 -2.23 0.03 0.00 0.02 0.00 0.00 41.25 39.13 3gpr s ASN 4109CO 0.19 0.27 0.37 -0.60 0.02 0.00 0.00 177.10 177.36 3gpr s ARG 4110N -0.70 0.86 0.18 -0.60 3.52 0.55 -4.92 118.95 117.84 3gpr s ARG 4110Ca 0.22 -0.38 -0.33 0.00 -0.13 0.00 0.00 55.73 55.12 3gpr s ARG 4110Cb -0.16 0.38 -0.13 0.00 -1.56 0.00 0.00 34.95 33.49 3gpr s ARG 4110CO 0.11 -0.28 1.66 0.41 -0.81 0.00 0.00 175.30 176.38 3gpr n GLY 4111N 0.62 1.35 0.29 8.12 0.00 -1.26 0.09 105.19 114.39 3gpr n GLY 4111Ca -0.19 0.64 0.18 0.00 0.00 0.00 0.00 46.02 46.65 3gpr n GLY 4111CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpr n GLU 4113N -3.15 3.55 -2.95 0.00 -0.58 -1.26 -3.75 120.64 112.50 3gpr n GLU 4113Ca -0.00 -2.36 -0.18 0.00 -0.42 0.00 0.00 57.16 54.20 3gpr n GLU 4113Cb 0.26 -2.04 0.02 0.00 -0.57 0.00 0.00 31.44 29.11 3gpr n GLU 4113CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3gpr s LYS 4114N -2.37 2.75 -0.39 3.49 2.20 -0.95 -4.96 119.74 119.51 3gpr s LYS 4114Ca 0.42 -1.18 -0.02 0.00 -0.36 0.00 0.00 55.97 54.82 3gpr s LYS 4114Cb 0.32 -2.71 0.10 0.00 -1.51 0.00 0.00 37.83 34.04 3gpr s LYS 4114CO 0.11 -0.38 0.18 0.99 -0.36 0.00 0.00 175.35 175.89 3gpr s THR 4115N -2.44 3.20 0.05 3.43 2.01 -1.26 -3.35 115.64 117.29 3gpr s THR 4115Ca 0.56 -2.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.52 3gpr s THR 4115Cb -0.10 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 3gpr s THR 4115CO 0.34 -0.64 -0.00 -0.69 -0.69 0.00 0.00 174.62 172.94 3gpr s VAL 4116N 1.13 0.21 1.28 3.82 1.01 0.20 -4.57 120.40 123.48 3gpr s VAL 4116Ca 0.07 -1.72 -0.19 0.00 0.00 0.00 0.00 61.98 60.14 3gpr s VAL 4116Cb -0.22 -1.48 0.30 0.00 0.00 0.00 0.00 36.38 34.98 3gpr s VAL 4116CO -0.04 -0.95 0.68 -1.20 0.00 0.00 0.00 175.10 173.59 3gpr n SER 4117N 0.12 -3.71 -0.34 3.32 7.64 -1.18 -2.51 113.62 116.96 3gpr n SER 4117Ca -0.14 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.06 3gpr n SER 4117Cb 0.61 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 3gpr n SER 4117CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3gpr n PHE 4118N -5.25 -0.26 -4.04 1.43 -1.74 -1.26 0.14 117.46 106.48 3gpr n PHE 4118Ca 0.11 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.90 3gpr n PHE 4118Cb 0.48 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.40 3gpr n PHE 4118CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3gpr s LEU 4119N 0.00 1.24 0.06 5.98 1.43 -1.26 -3.46 118.68 122.67 3gpr s LEU 4119Ca 0.00 -1.02 0.05 0.00 -1.03 0.00 0.00 54.13 52.13 3gpr s LEU 4119Cb 0.00 0.85 -0.03 0.00 0.03 0.00 0.00 46.19 47.04 3gpr s LEU 4119CO 0.00 -0.84 -0.15 0.00 0.23 0.00 0.00 176.35 175.59 3gpr s LYS 4121N -1.53 0.47 0.00 0.00 2.20 0.25 -3.72 119.74 117.41 3gpr s LYS 4121Ca 0.00 0.85 -0.03 0.00 -0.36 0.00 0.00 55.97 56.44 3gpr s LYS 4121Cb -0.09 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.27 3gpr s LYS 4121CO 0.02 -0.14 0.05 -0.59 -0.36 0.00 0.00 175.35 174.33 3gpr s PHE 4122N 1.29 0.09 0.82 4.03 -0.71 -1.25 0.81 117.98 123.07 3gpr s PHE 4122Ca -0.08 -0.20 -0.11 0.00 -1.04 0.00 0.00 56.93 55.49 3gpr s PHE 4122Cb -0.07 -0.08 0.08 0.00 -1.21 0.00 0.00 43.02 41.74 3gpr s PHE 4122CO -0.12 -0.18 1.10 1.52 -1.34 0.00 0.00 175.22 176.19 3gpr s TYR 4123N -1.01 2.70 -2.28 3.49 -0.85 -1.26 -2.71 117.35 115.42 3gpr s TYR 4123Ca -0.11 1.18 0.30 0.00 -0.52 0.00 0.00 57.07 57.92 3gpr s TYR 4123Cb -0.07 -3.13 1.42 0.00 0.38 0.00 0.00 41.96 40.56 3gpr s TYR 4123CO 0.00 -1.92 1.95 -1.13 -1.52 0.00 0.00 175.55 172.93